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source: palm/trunk/SOURCE/salsa_mod.f90 @ 4280

Last change on this file since 4280 was 4280, checked in by monakurppa, 6 years ago

Correct recent bugs in salsa_mod and remove chemistry specific stuff in netcdf_data_iput_mod

A boundary conditions bug in salsa_mod: set top boundary to its default value (neumann) if nesting is turned off
In salsa_nesting_offl_bc, correct fac_dt to apply time_utc_init
Remove chemistry specific parts (inside an if clause id==id_emis) in get_variable_4d_to_3d_real and get_variable_5d_to_4d_real

Property svn:keywords set to Id

File size: 603.6 KB

Line
1	!> @file salsa_mod.f90
2	!--------------------------------------------------------------------------------!
3	! This file is part of PALM-4U.
4	!
5	! PALM-4U is free software: you can redistribute it and/or modify it under the
6	! terms of the GNU General Public License as published by the Free Software
7	! Foundation, either version 3 of the License, or (at your option) any later
8	! version.
9	!
10	! PALM-4U is distributed in the hope that it will be useful, but WITHOUT ANY
11	! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
12	! A PARTICULAR PURPOSE. See the GNU General Public License for more details.
13	!
14	! You should have received a copy of the GNU General Public License along with
15	! PALM. If not, see <http://www.gnu.org/licenses/>.
16	!
17	! Copyright 2018-2019 University of Helsinki
18	! Copyright 1997-2019 Leibniz Universitaet Hannover
19	!--------------------------------------------------------------------------------!
20	!
21	! Current revisions:
22	! -----------------
23	!
24	!
25	! Former revisions:
26	! -----------------
27	! $Id: salsa_mod.f90 4280 2019-10-29 14:34:15Z monakurppa $
28	! Corrected a bug in boundary conditions and fac_dt in offline nesting
29	!
30	! 4273 2019-10-24 13:40:54Z monakurppa
31	! - Rename nest_salsa to nesting_salsa
32	! - Correct some errors in boundary condition flags
33	! - Add a check for not trying to output gas concentrations in salsa if the
34	! chemistry module is applied
35	! - Set the default value of nesting_salsa and nesting_offline_salsa to .TRUE.
36	!
37	! 4272 2019-10-23 15:18:57Z schwenkel
38	! Further modularization of boundary conditions: moved boundary conditions to
39	! respective modules
40	!
41	! 4270 2019-10-23 10:46:20Z monakurppa
42	! - Implement offline nesting for salsa
43	! - Alphabetic ordering for module interfaces
44	! - Remove init_aerosol_type and init_gases_type from salsa_parin and define them
45	! based on the initializing_actions
46	! - parameter definition removed from "season" and "season_z01" is added to parin
47	! - bugfix in application of index_hh after implementing the new
48	! palm_date_time_mod
49	! - Reformat salsa emission data with LOD=2: size distribution given for each
50	! emission category
51	!
52	! 4268 2019-10-17 11:29:38Z schwenkel
53	! Moving module specific boundary conditions from time_integration to module
54	!
55	! 4256 2019-10-07 10:08:52Z monakurppa
56	! Document previous changes: use global variables nx, ny and nz in salsa_header
57	!
58	! 4227 2019-09-10 18:04:34Z gronemeier
59	! implement new palm_date_time_mod
60	!
61	! 4226 2019-09-10 17:03:24Z suehring
62	! Netcdf input routine for dimension length renamed
63	!
64	! 4182 2019-08-22 15:20:23Z scharf
65	! Corrected "Former revisions" section
66	!
67	! 4167 2019-08-16 11:01:48Z suehring
68	! Changed behaviour of masked output over surface to follow terrain and ignore
69	! buildings (J.Resler, T.Gronemeier)
70	!
71	! 4131 2019-08-02 11:06:18Z monakurppa
72	! - Add "salsa_" before each salsa output variable
73	! - Add a possibility to output the number (salsa_N_UFP) and mass concentration
74	! (salsa_PM0.1) of ultrafine particles, i.e. particles with a diameter smaller
75	! than 100 nm
76	! - Implement aerosol emission mode "parameterized" which is based on the street
77	! type (similar to the chemistry module).
78	! - Remove unnecessary nucleation subroutines.
79	! - Add the z-dimension for gaseous emissions to correspond the implementation
80	! in the chemistry module
81	!
82	! 4118 2019-07-25 16:11:45Z suehring
83	! - When Dirichlet condition is applied in decycling, the boundary conditions are
84	! only set at the ghost points and not at the prognostic grid points as done
85	! before
86	! - Rename decycle_ns/lr to decycle_salsa_ns/lr and decycle_method to
87	! decycle_method_salsa
88	! - Allocation and initialization of special advection flags salsa_advc_flags_s
89	! used for salsa. These are exclusively used for salsa variables to
90	! distinguish from the usually-used flags which might be different when
91	! decycling is applied in combination with cyclic boundary conditions.
92	! Moreover, salsa_advc_flags_s considers extended zones around buildings where
93	! the first-order upwind scheme is applied for the horizontal advection terms.
94	! This is done to overcome high concentration peaks due to stationary numerical
95	! oscillations caused by horizontal advection discretization.
96	!
97	! 4117 2019-07-25 08:54:02Z monakurppa
98	! Pass integer flag array as well as boundary flags to WS scalar advection
99	! routine
100	!
101	! 4109 2019-07-22 17:00:34Z suehring
102	! Slightly revise setting of boundary conditions at horizontal walls, use
103	! data-structure offset index instead of pre-calculate it for each facing
104	!
105	! 4079 2019-07-09 18:04:41Z suehring
106	! Application of monotonic flux limiter for the vertical scalar advection
107	! up to the topography top (only for the cache-optimized version at the
108	! moment).
109	!
110	! 4069 2019-07-01 14:05:51Z Giersch
111	! Masked output running index mid has been introduced as a local variable to
112	! avoid runtime error (Loop variable has been modified) in time_integration
113	!
114	! 4058 2019-06-27 15:25:42Z knoop
115	! Bugfix: to_be_resorted was uninitialized in case of s_H2O in 3d_data_averaging
116	!
117	! 4012 2019-05-31 15:19:05Z monakurppa
118	! Merge salsa branch to trunk. List of changes:
119	! - Error corrected in distr_update that resulted in the aerosol number size
120	! distribution not converging if the concentration was nclim.
121	! - Added a separate output for aerosol liquid water (s_H2O)
122	! - aerosol processes for a size bin are now calculated only if the aerosol
123	! number of concentration of that bin is > 2*nclim
124	! - An initialisation error in the subroutine "deposition" corrected and the
125	! subroutine reformatted.
126	! - stuff from salsa_util_mod.f90 moved into salsa_mod.f90
127	! - calls for closing the netcdf input files added
128	!
129	! 3956 2019-05-07 12:32:52Z monakurppa
130	! - Conceptual bug in depo_surf correct for urban and land surface model
131	! - Subroutine salsa_tendency_ij optimized.
132	! - Interfaces salsa_non_advective_processes and salsa_exchange_horiz_bounds
133	! created. These are now called in module_interface.
134	! salsa_exchange_horiz_bounds after calling salsa_driver only when needed
135	! (i.e. every dt_salsa).
136	!
137	! 3924 2019-04-23 09:33:06Z monakurppa
138	! Correct a bug introduced by the previous update.
139	!
140	! 3899 2019-04-16 14:05:27Z monakurppa
141	! - remove unnecessary error / location messages
142	! - corrected some error message numbers
143	! - allocate source arrays only if emissions or dry deposition is applied.
144	!
145	! 3885 2019-04-11 11:29:34Z kanani
146	! Changes related to global restructuring of location messages and introduction
147	! of additional debug messages
148	!
149	! 3876 2019-04-08 18:41:49Z knoop
150	! Introduced salsa_actions module interface
151	!
152	! 3871 2019-04-08 14:38:39Z knoop
153	! Major changes in formatting, performance and data input structure (see branch
154	! the history for details)
155	! - Time-dependent emissions enabled: lod=1 for yearly PM emissions that are
156	! normalised depending on the time, and lod=2 for preprocessed emissions
157	! (similar to the chemistry module).
158	! - Additionally, 'uniform' emissions allowed. This emission is set constant on
159	! all horisontal upward facing surfaces and it is created based on parameters
160	! surface_aerosol_flux, aerosol_flux_dpg/sigmag/mass_fracs_a/mass_fracs_b.
161	! - All emissions are now implemented as surface fluxes! No 3D sources anymore.
162	! - Update the emission information by calling salsa_emission_update if
163	! skip_time_do_salsa >= time_since_reference_point and
164	! next_aero_emission_update <= time_since_reference_point
165	! - Aerosol background concentrations read from PIDS_DYNAMIC. The vertical grid
166	! must match the one applied in the model.
167	! - Gas emissions and background concentrations can be also read in in salsa_mod
168	! if the chemistry module is not applied.
169	! - In deposition, information on the land use type can be now imported from
170	! the land use model
171	! - Use SI units in PARIN, i.e. n_lognorm given in #/m3 and dpg in metres.
172	! - Apply 100 character line limit
173	! - Change all variable names from capital to lowercase letter
174	! - Change real exponents to integer if possible. If not, precalculate the value
175	! value of exponent
176	! - Rename in1a to start_subrange_1a, fn2a to end_subrange_1a etc.
177	! - Rename nbins --> nbins_aerosol, ncc_tot --> ncomponents_mass and ngast -->
178	! ngases_salsa
179	! - Rename ibc to index_bc, idu to index_du etc.
180	! - Renamed loop indices b, c and sg to ib, ic and ig
181	! - run_salsa subroutine removed
182	! - Corrected a bud in salsa_driver: falsely applied ino instead of inh
183	! - Call salsa_tendency within salsa_prognostic_equations which is called in
184	! module_interface_mod instead of prognostic_equations_mod
185	! - Removed tailing white spaces and unused variables
186	! - Change error message to start by PA instead of SA
187	!
188	! 3833 2019-03-28 15:04:04Z forkel
189	! added USE chem_gasphase_mod for nvar, nspec and spc_names
190	!
191	! 3787 2019-03-07 08:43:54Z raasch
192	! unused variables removed
193	!
194	! 3780 2019-03-05 11:19:45Z forkel
195	! unused variable for file index removed from rrd-subroutines parameter list
196	!
197	! 3685 2019-01-21 01:02:11Z knoop
198	! Some interface calls moved to module_interface + cleanup
199	!
200	! 3655 2019-01-07 16:51:22Z knoop
201	! Implementation of the PALM module interface
202	! 3412 2018-10-24 07:25:57Z monakurppa
203	!
204	! Authors:
205	! --------
206	! @author Mona Kurppa (University of Helsinki)
207	!
208	!
209	! Description:
210	! ------------
211	!> Sectional aerosol module for large scale applications SALSA
212	!> (Kokkola et al., 2008, ACP 8, 2469-2483). Solves the aerosol number and mass
213	!> concentration as well as chemical composition. Includes aerosol dynamic
214	!> processes: nucleation, condensation/evaporation of vapours, coagulation and
215	!> deposition on tree leaves, ground and roofs.
216	!> Implementation is based on formulations implemented in UCLALES-SALSA except
217	!> for deposition which is based on parametrisations by Zhang et al. (2001,
218	!> Atmos. Environ. 35, 549-560) or Petroff&Zhang (2010, Geosci. Model Dev. 3,
219	!> 753-769)
220	!>
221	!> @todo Apply information from emission_stack_height to lift emission sources
222	!> @todo Allow insoluble emissions
223	!------------------------------------------------------------------------------!
224	MODULE salsa_mod
225
226	USE basic_constants_and_equations_mod, &
227	ONLY: c_p, g, p_0, pi, r_d
228
229	USE chem_gasphase_mod, &
230	ONLY: nspec, nvar, spc_names
231
232	USE chem_modules, &
233	ONLY: call_chem_at_all_substeps, chem_gasphase_on, chem_species
234
235	USE control_parameters, &
236	ONLY: air_chemistry, bc_dirichlet_l, bc_dirichlet_n, bc_dirichlet_r, bc_dirichlet_s, &
237	bc_lr, bc_lr_cyc, bc_ns, bc_ns_cyc, bc_radiation_l, bc_radiation_n, bc_radiation_r, &
238	bc_radiation_s, coupling_char, debug_output, dt_3d, intermediate_timestep_count, &
239	intermediate_timestep_count_max, land_surface, max_pr_salsa, message_string, &
240	monotonic_limiter_z, plant_canopy, pt_surface, salsa, scalar_advec, &
241	surface_pressure, time_since_reference_point, timestep_scheme, tsc, urban_surface, &
242	ws_scheme_sca
243
244	USE indices, &
245	ONLY: nbgp, nx, nxl, nxlg, nxr, nxrg, ny, nyn, nyng, nys, nysg, nzb, nz, nzt, wall_flags_0
246
247	USE kinds
248
249	USE netcdf_data_input_mod, &
250	ONLY: chem_emis_att_type, chem_emis_val_type
251
252	USE pegrid
253
254	USE statistics, &
255	ONLY: sums_salsa_ws_l
256
257	IMPLICIT NONE
258	!
259	!-- SALSA constants:
260	!
261	!-- Local constants:
262	INTEGER(iwp), PARAMETER :: luc_urban = 15 !< default landuse type for urban
263	INTEGER(iwp), PARAMETER :: ngases_salsa = 5 !< total number of gaseous tracers:
264	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV
265	!< (non-volatile OC), 5 = OCSV (semi-volatile)
266	INTEGER(iwp), PARAMETER :: nmod = 7 !< number of modes for initialising the aerosol size distribution
267	INTEGER(iwp), PARAMETER :: nreg = 2 !< Number of main size subranges
268	INTEGER(iwp), PARAMETER :: maxspec = 7 !< Max. number of aerosol species
269
270
271	REAL(wp), PARAMETER :: fill_value = -9999.0_wp !< value for the _FillValue attribute
272	!
273	!-- Universal constants
274	REAL(wp), PARAMETER :: abo = 1.380662E-23_wp !< Boltzmann constant (J/K)
275	REAL(wp), PARAMETER :: alv = 2.260E+6_wp !< latent heat for H2O vaporisation (J/kg)
276	REAL(wp), PARAMETER :: alv_d_rv = 4896.96865_wp !< alv / rv
277	REAL(wp), PARAMETER :: am_airmol = 4.8096E-26_wp !< Average mass of an air molecule (Jacobson 2005, Eq.2.3)
278	REAL(wp), PARAMETER :: api6 = 0.5235988_wp !< pi / 6
279	REAL(wp), PARAMETER :: argas = 8.314409_wp !< Gas constant (J/(mol K))
280	REAL(wp), PARAMETER :: argas_d_cpd = 8.281283865E-3_wp !< argas per cpd
281	REAL(wp), PARAMETER :: avo = 6.02214E+23_wp !< Avogadro constant (1/mol)
282	REAL(wp), PARAMETER :: d_sa = 5.539376964394570E-10_wp !< diameter of condensing H2SO4 molecule (m)
283	REAL(wp), PARAMETER :: for_ppm_to_nconc = 7.243016311E+16_wp !< ppm * avo / R (K/(Pa*m3))
284	REAL(wp), PARAMETER :: epsoc = 0.15_wp !< water uptake of organic material
285	REAL(wp), PARAMETER :: mclim = 1.0E-23_wp !< mass concentration min limit (kg/m3)
286	REAL(wp), PARAMETER :: n3 = 158.79_wp !< Number of H2SO4 molecules in 3 nm cluster if d_sa=5.54e-10m
287	REAL(wp), PARAMETER :: nclim = 1.0_wp !< number concentration min limit (#/m3)
288	REAL(wp), PARAMETER :: surfw0 = 0.073_wp !< surface tension of water at 293 K (J/m2)
289	!
290	!-- Molar masses in kg/mol
291	REAL(wp), PARAMETER :: ambc = 12.0E-3_wp !< black carbon (BC)
292	REAL(wp), PARAMETER :: amdair = 28.970E-3_wp !< dry air
293	REAL(wp), PARAMETER :: amdu = 100.E-3_wp !< mineral dust
294	REAL(wp), PARAMETER :: amh2o = 18.0154E-3_wp !< H2O
295	REAL(wp), PARAMETER :: amh2so4 = 98.06E-3_wp !< H2SO4
296	REAL(wp), PARAMETER :: amhno3 = 63.01E-3_wp !< HNO3
297	REAL(wp), PARAMETER :: amn2o = 44.013E-3_wp !< N2O
298	REAL(wp), PARAMETER :: amnh3 = 17.031E-3_wp !< NH3
299	REAL(wp), PARAMETER :: amo2 = 31.9988E-3_wp !< O2
300	REAL(wp), PARAMETER :: amo3 = 47.998E-3_wp !< O3
301	REAL(wp), PARAMETER :: amoc = 150.E-3_wp !< organic carbon (OC)
302	REAL(wp), PARAMETER :: amss = 58.44E-3_wp !< sea salt (NaCl)
303	!
304	!-- Densities in kg/m3
305	REAL(wp), PARAMETER :: arhobc = 2000.0_wp !< black carbon
306	REAL(wp), PARAMETER :: arhodu = 2650.0_wp !< mineral dust
307	REAL(wp), PARAMETER :: arhoh2o = 1000.0_wp !< H2O
308	REAL(wp), PARAMETER :: arhoh2so4 = 1830.0_wp !< SO4
309	REAL(wp), PARAMETER :: arhohno3 = 1479.0_wp !< HNO3
310	REAL(wp), PARAMETER :: arhonh3 = 1530.0_wp !< NH3
311	REAL(wp), PARAMETER :: arhooc = 2000.0_wp !< organic carbon
312	REAL(wp), PARAMETER :: arhoss = 2165.0_wp !< sea salt (NaCl)
313	!
314	!-- Volume of molecule in m3/#
315	REAL(wp), PARAMETER :: amvh2o = amh2o /avo / arhoh2o !< H2O
316	REAL(wp), PARAMETER :: amvh2so4 = amh2so4 / avo / arhoh2so4 !< SO4
317	REAL(wp), PARAMETER :: amvhno3 = amhno3 / avo / arhohno3 !< HNO3
318	REAL(wp), PARAMETER :: amvnh3 = amnh3 / avo / arhonh3 !< NH3
319	REAL(wp), PARAMETER :: amvoc = amoc / avo / arhooc !< OC
320	REAL(wp), PARAMETER :: amvss = amss / avo / arhoss !< sea salt
321	!
322	!-- Constants for the dry deposition model by Petroff and Zhang (2010):
323	!-- obstacle characteristic dimension "L" (cm) (plane obstacle by default) and empirical constants
324	!-- C_B, C_IN, C_IM, beta_IM and C_IT for each land use category (15, as in Zhang et al. (2001))
325	REAL(wp), DIMENSION(1:15), PARAMETER :: l_p10 = &
326	(/0.15, 4.0, 0.15, 3.0, 3.0, 0.5, 3.0, -99., 0.5, 2.0, 1.0, -99., -99., -99., 3.0/)
327	REAL(wp), DIMENSION(1:15), PARAMETER :: c_b_p10 = &
328	(/0.887, 1.262, 0.887, 1.262, 1.262, 0.996, 0.996, -99., 0.7, 0.93, 0.996, -99., -99., -99., 1.262/)
329	REAL(wp), DIMENSION(1:15), PARAMETER :: c_in_p10 = &
330	(/0.81, 0.216, 0.81, 0.216, 0.216, 0.191, 0.162, -99., 0.7, 0.14, 0.162, -99., -99., -99., 0.216/)
331	REAL(wp), DIMENSION(1:15), PARAMETER :: c_im_p10 = &
332	(/0.162, 0.13, 0.162, 0.13, 0.13, 0.191, 0.081, -99., 0.191,0.086,0.081, -99., -99., -99., 0.13/)
333	REAL(wp), DIMENSION(1:15), PARAMETER :: beta_im_p10 = &
334	(/0.6, 0.47, 0.6, 0.47, 0.47, 0.47, 0.47, -99., 0.6, 0.47, 0.47, -99., -99., -99., 0.47/)
335	REAL(wp), DIMENSION(1:15), PARAMETER :: c_it_p10 = &
336	(/0.0, 0.056, 0.0, 0.056, 0.056, 0.042, 0.056, -99., 0.042,0.014,0.056, -99., -99., -99., 0.056/)
337	!
338	!-- Constants for the dry deposition model by Zhang et al. (2001):
339	!-- empirical constants "alpha" and "gamma" and characteristic radius "A" for
340	!-- each land use category (15) and season (5)
341	REAL(wp), DIMENSION(1:15), PARAMETER :: alpha_z01 = &
342	(/1.0, 0.6, 1.1, 0.8, 0.8, 1.2, 1.2, 50.0, 50.0, 1.3, 2.0, 50.0, 100.0, 100.0, 1.5/)
343	REAL(wp), DIMENSION(1:15), PARAMETER :: gamma_z01 = &
344	(/0.56, 0.58, 0.56, 0.56, 0.56, 0.54, 0.54, 0.54, 0.54, 0.54, 0.54, 0.54, 0.50, 0.50, 0.56/)
345	REAL(wp), DIMENSION(1:15,1:5), PARAMETER :: A_z01 = RESHAPE( (/&
346	2.0, 5.0, 2.0, 5.0, 5.0, 2.0, 2.0, -99., -99., 10.0, 10.0, -99., -99., -99., 10.0,& ! SC1
347	2.0, 5.0, 2.0, 5.0, 5.0, 2.0, 2.0, -99., -99., 10.0, 10.0, -99., -99., -99., 10.0,& ! SC2
348	2.0, 5.0, 5.0, 10.0, 5.0, 5.0, 5.0, -99., -99., 10.0, 10.0, -99., -99., -99., 10.0,& ! SC3
349	2.0, 5.0, 5.0, 10.0, 5.0, 5.0, 5.0, -99., -99., 10.0, 10.0, -99., -99., -99., 10.0,& ! SC4
350	2.0, 5.0, 2.0, 5.0, 5.0, 2.0, 2.0, -99., -99., 10.0, 10.0, -99., -99., -99., 10.0 & ! SC5
351	/), (/ 15, 5 /) )
352	!-- Land use categories (based on Z01 but the same applies here also for P10):
353	!-- 1 = evergreen needleleaf trees,
354	!-- 2 = evergreen broadleaf trees,
355	!-- 3 = deciduous needleleaf trees,
356	!-- 4 = deciduous broadleaf trees,
357	!-- 5 = mixed broadleaf and needleleaf trees (deciduous broadleaf trees for P10),
358	!-- 6 = grass (short grass for P10),
359	!-- 7 = crops, mixed farming,
360	!-- 8 = desert,
361	!-- 9 = tundra,
362	!-- 10 = shrubs and interrupted woodlands (thorn shrubs for P10),
363	!-- 11 = wetland with plants (long grass for P10)
364	!-- 12 = ice cap and glacier,
365	!-- 13 = inland water (inland lake for P10)
366	!-- 14 = ocean (water for P10),
367	!-- 15 = urban
368	!
369	!-- SALSA variables:
370	CHARACTER(LEN=20) :: bc_salsa_b = 'neumann' !< bottom boundary condition
371	CHARACTER(LEN=20) :: bc_salsa_t = 'neumann' !< top boundary condition
372	CHARACTER(LEN=20) :: depo_pcm_par = 'zhang2001' !< or 'petroff2010'
373	CHARACTER(LEN=20) :: depo_pcm_type = 'deciduous_broadleaf' !< leaf type
374	CHARACTER(LEN=20) :: depo_surf_par = 'zhang2001' !< or 'petroff2010'
375	CHARACTER(LEN=100) :: input_file_dynamic = 'PIDS_DYNAMIC' !< file name for dynamic input
376	CHARACTER(LEN=100) :: input_file_salsa = 'PIDS_SALSA' !< file name for emission data
377	CHARACTER(LEN=20) :: salsa_emission_mode = 'no_emission' !< 'no_emission', 'uniform',
378	!< 'parameterized', 'read_from_file'
379
380	CHARACTER(LEN=20), DIMENSION(4) :: decycle_method_salsa = &
381	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
382	!< Decycling method at horizontal boundaries
383	!< 1=left, 2=right, 3=south, 4=north
384	!< dirichlet = initial profiles for the ghost and first 3 layers
385	!< neumann = zero gradient
386
387	CHARACTER(LEN=3), DIMENSION(maxspec) :: listspec = & !< Active aerosols
388	(/'SO4',' ',' ',' ',' ',' ',' '/)
389
390	INTEGER(iwp) :: depo_pcm_par_num = 1 !< parametrisation type: 1=zhang2001, 2=petroff2010
391	INTEGER(iwp) :: depo_pcm_type_num = 0 !< index for the dry deposition type on the plant canopy
392	INTEGER(iwp) :: depo_surf_par_num = 1 !< parametrisation type: 1=zhang2001, 2=petroff2010
393	INTEGER(iwp) :: end_subrange_1a = 1 !< last index for bin subrange 1a
394	INTEGER(iwp) :: end_subrange_2a = 1 !< last index for bin subrange 2a
395	INTEGER(iwp) :: end_subrange_2b = 1 !< last index for bin subrange 2b
396	INTEGER(iwp) :: ibc_salsa_b !< index for the bottom boundary condition
397	INTEGER(iwp) :: ibc_salsa_t !< index for the top boundary condition
398	INTEGER(iwp) :: index_bc = -1 !< index for black carbon (BC)
399	INTEGER(iwp) :: index_du = -1 !< index for dust
400	INTEGER(iwp) :: index_nh = -1 !< index for NH3
401	INTEGER(iwp) :: index_no = -1 !< index for HNO3
402	INTEGER(iwp) :: index_oc = -1 !< index for organic carbon (OC)
403	INTEGER(iwp) :: index_so4 = -1 !< index for SO4 or H2SO4
404	INTEGER(iwp) :: index_ss = -1 !< index for sea salt
405	INTEGER(iwp) :: init_aerosol_type = 0 !< Initial size distribution type
406	!< 0 = uniform (read from PARIN)
407	!< 1 = read vertical profiles from an input file
408	INTEGER(iwp) :: init_gases_type = 0 !< Initial gas concentration type
409	!< 0 = uniform (read from PARIN)
410	!< 1 = read vertical profiles from an input file
411	INTEGER(iwp) :: lod_gas_emissions = 0 !< level of detail of the gaseous emission data
412	INTEGER(iwp) :: main_street_id = 0 !< lower bound of main street IDs for parameterized emission mode
413	INTEGER(iwp) :: max_street_id = 0 !< upper bound of main street IDs for parameterized emission mode
414	INTEGER(iwp) :: nbins_aerosol = 1 !< total number of size bins
415	INTEGER(iwp) :: ncc = 1 !< number of chemical components used
416	INTEGER(iwp) :: ncomponents_mass = 1 !< total number of chemical compounds (ncc+1)
417	!< if particle water is advected)
418	INTEGER(iwp) :: nj3 = 1 !< J3 parametrization (nucleation)
419	!< 1 = condensational sink (Kerminen&Kulmala, 2002)
420	!< 2 = coagulational sink (Lehtinen et al. 2007)
421	!< 3 = coagS+self-coagulation (Anttila et al. 2010)
422	INTEGER(iwp) :: nsnucl = 0 !< Choice of the nucleation scheme:
423	!< 0 = off
424	!< 1 = binary nucleation
425	!< 2 = activation type nucleation
426	!< 3 = kinetic nucleation
427	!< 4 = ternary nucleation
428	!< 5 = nucleation with ORGANICs
429	!< 6 = activation type of nucleation with H2SO4+ORG
430	!< 7 = heteromolecular nucleation with H2SO4*ORG
431	!< 8 = homomolecular nucleation of H2SO4
432	!< + heteromolecular nucleation with H2SO4*ORG
433	!< 9 = homomolecular nucleation of H2SO4 and ORG
434	!< + heteromolecular nucleation with H2SO4*ORG
435	INTEGER(iwp) :: salsa_pr_count = 0 !< counter for salsa variable profiles
436	INTEGER(iwp) :: season_z01 = 1 !< For dry deposition by Zhang et al.: 1 = summer,
437	!< 2 = autumn (no harvest yet), 3 = late autumn
438	!< (already frost), 4 = winter, 5 = transitional spring
439	INTEGER(iwp) :: side_street_id = 0 !< lower bound of side street IDs for parameterized emission mode
440	INTEGER(iwp) :: start_subrange_1a = 1 !< start index for bin subranges: subrange 1a
441	INTEGER(iwp) :: start_subrange_2a = 1 !< subrange 2a
442	INTEGER(iwp) :: start_subrange_2b = 1 !< subrange 2b
443
444	INTEGER(iwp), DIMENSION(nreg) :: nbin = (/ 3, 7/) !< Number of size bins per subrange: 1 & 2
445
446	INTEGER(iwp), DIMENSION(ngases_salsa) :: gas_index_chem = (/ 1, 1, 1, 1, 1/) !< gas indices in chemistry_model_mod
447	!< 1 = H2SO4, 2 = HNO3,
448	!< 3 = NH3, 4 = OCNV, 5 = OCSV
449	INTEGER(iwp), DIMENSION(ngases_salsa) :: emission_index_chem !< gas indices in the gas emission file
450	INTEGER(iwp), DIMENSION(99) :: salsa_pr_index = 0 !< index for salsa profiles
451
452	INTEGER(iwp), DIMENSION(:,:), ALLOCATABLE :: k_topo_top !< vertical index of the topography top
453
454	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: salsa_advc_flags_s !< flags used to degrade order of advection
455	!< scheme for salsa variables near walls and
456	!< lateral boundaries
457	!
458	!-- SALSA switches:
459	LOGICAL :: advect_particle_water = .TRUE. !< Advect water concentration of particles
460	LOGICAL :: decycle_salsa_lr = .FALSE. !< Undo cyclic boundaries: left and right
461	LOGICAL :: decycle_salsa_ns = .FALSE. !< Undo cyclic boundaries: north and south
462	LOGICAL :: include_emission = .FALSE. !< Include or not emissions
463	LOGICAL :: feedback_to_palm = .FALSE. !< Allow feedback due to condensation of H2O
464	LOGICAL :: nesting_salsa = .TRUE. !< Apply nesting for salsa
465	LOGICAL :: nesting_offline_salsa = .TRUE. !< Apply offline nesting for salsa
466	LOGICAL :: no_insoluble = .FALSE. !< Exclude insoluble chemical components
467	LOGICAL :: read_restart_data_salsa = .FALSE. !< Read restart data for salsa
468	LOGICAL :: salsa_gases_from_chem = .FALSE. !< Transfer the gaseous components to SALSA
469	LOGICAL :: van_der_waals_coagc = .FALSE. !< Include van der Waals and viscous forces in coagulation
470	LOGICAL :: write_binary_salsa = .FALSE. !< read binary for salsa
471	!
472	!-- Process switches: nl* is read from the NAMELIST and is NOT changed.
473	!-- ls* is the switch used and will get the value of nl*
474	!-- except for special circumstances (spinup period etc.)
475	LOGICAL :: nlcoag = .FALSE. !< Coagulation master switch
476	LOGICAL :: lscoag = .FALSE. !<
477	LOGICAL :: nlcnd = .FALSE. !< Condensation master switch
478	LOGICAL :: lscnd = .FALSE. !<
479	LOGICAL :: nlcndgas = .FALSE. !< Condensation of precursor gases
480	LOGICAL :: lscndgas = .FALSE. !<
481	LOGICAL :: nlcndh2oae = .FALSE. !< Condensation of H2O on aerosol
482	LOGICAL :: lscndh2oae = .FALSE. !< particles (FALSE -> equilibrium calc.)
483	LOGICAL :: nldepo = .FALSE. !< Deposition master switch
484	LOGICAL :: lsdepo = .FALSE. !<
485	LOGICAL :: nldepo_surf = .FALSE. !< Deposition on vegetation master switch
486	LOGICAL :: lsdepo_surf = .FALSE. !<
487	LOGICAL :: nldepo_pcm = .FALSE. !< Deposition on walls master switch
488	LOGICAL :: lsdepo_pcm = .FALSE. !<
489	LOGICAL :: nldistupdate = .TRUE. !< Size distribution update master switch
490	LOGICAL :: lsdistupdate = .FALSE. !<
491	LOGICAL :: lspartition = .FALSE. !< Partition of HNO3 and NH3
492
493	REAL(wp) :: act_coeff = 1.0E-7_wp !< Activation coefficient (1/s)
494	REAL(wp) :: dt_salsa = 0.00001_wp !< Time step of SALSA
495	REAL(wp) :: emiss_factor_main = 0.0_wp !< relative emission factor for main streets
496	REAL(wp) :: emiss_factor_side = 0.0_wp !< relative emission factor for side streets
497	REAL(wp) :: h2so4_init = nclim !< Init value for sulphuric acid gas
498	REAL(wp) :: hno3_init = nclim !< Init value for nitric acid gas
499	REAL(wp) :: last_salsa_time = 0.0_wp !< previous salsa call
500	REAL(wp) :: next_aero_emission_update = 0.0_wp !< previous emission update
501	REAL(wp) :: next_gas_emission_update = 0.0_wp !< previous emission update
502	REAL(wp) :: nf2a = 1.0_wp !< Number fraction allocated to 2a-bins
503	REAL(wp) :: nh3_init = nclim !< Init value for ammonia gas
504	REAL(wp) :: ocnv_init = nclim !< Init value for non-volatile organic gases
505	REAL(wp) :: ocsv_init = nclim !< Init value for semi-volatile organic gases
506	REAL(wp) :: rhlim = 1.20_wp !< RH limit in %/100. Prevents unrealistical RH
507	REAL(wp) :: time_utc_init !< time in seconds-of-day of origin_date_time
508	REAL(wp) :: skip_time_do_salsa = 0.0_wp !< Starting time of SALSA (s)
509	!
510	!-- Initial log-normal size distribution: mode diameter (dpg, metres),
511	!-- standard deviation (sigmag) and concentration (n_lognorm, #/m3)
512	REAL(wp), DIMENSION(nmod) :: dpg = &
513	(/1.3E-8_wp, 5.4E-8_wp, 8.6E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp/)
514	REAL(wp), DIMENSION(nmod) :: sigmag = &
515	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
516	REAL(wp), DIMENSION(nmod) :: n_lognorm = &
517	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
518	!
519	!-- Initial mass fractions / chemical composition of the size distribution
520	REAL(wp), DIMENSION(maxspec) :: mass_fracs_a = & !< mass fractions between
521	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for A bins
522	REAL(wp), DIMENSION(maxspec) :: mass_fracs_b = & !< mass fractions between
523	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for B bins
524	REAL(wp), DIMENSION(nreg+1) :: reglim = & !< Min&max diameters of size subranges
525	(/ 3.0E-9_wp, 5.0E-8_wp, 1.0E-5_wp/)
526	!
527	!-- Initial log-normal size distribution: mode diameter (dpg, metres), standard deviation (sigmag)
528	!-- concentration (n_lognorm, #/m3) and mass fractions of all chemical components (listed in
529	!-- listspec) for both a (soluble) and b (insoluble) bins.
530	REAL(wp), DIMENSION(nmod) :: aerosol_flux_dpg = &
531	(/1.3E-8_wp, 5.4E-8_wp, 8.6E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp/)
532	REAL(wp), DIMENSION(nmod) :: aerosol_flux_sigmag = &
533	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
534	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_a = &
535	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
536	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_b = &
537	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
538	REAL(wp), DIMENSION(nmod) :: surface_aerosol_flux = &
539	(/1.0E+8_wp, 1.0E+9_wp, 1.0E+5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
540
541	REAL(wp), DIMENSION(:), ALLOCATABLE :: bin_low_limits !< to deliver information about
542	!< the lower diameters per bin
543	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_am_t_val !< vertical gradient of: aerosol mass
544	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_an_t_val !< of: aerosol number
545	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_gt_t_val !< salsa gases near domain top
546	REAL(wp), DIMENSION(:), ALLOCATABLE :: gas_emission_time !< Time array in gas emission data (s)
547	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect !< Background number concentrations
548	REAL(wp), DIMENSION(:), ALLOCATABLE :: massacc !< Mass accomodation coefficients
549	!
550	!-- SALSA derived datatypes:
551	!
552	!-- Component index
553	TYPE component_index
554	CHARACTER(len=3), ALLOCATABLE :: comp(:) !< Component name
555	INTEGER(iwp) :: ncomp !< Number of components
556	INTEGER(iwp), ALLOCATABLE :: ind(:) !< Component index
557	END TYPE component_index
558	!
559	!-- For matching LSM and USM surface types and the deposition module surface types
560	TYPE match_surface
561	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_lupg !< index for pavement / green roofs
562	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_luvw !< index for vegetation / walls
563	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_luww !< index for water / windows
564	END TYPE match_surface
565	!
566	!-- Aerosol emission data attributes
567	TYPE salsa_emission_attribute_type
568
569	CHARACTER(LEN=25) :: units
570
571	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cat_name !<
572	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !<
573	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: unit_time !<
574	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !<
575
576	INTEGER(iwp) :: lod = 0 !< level of detail
577	INTEGER(iwp) :: nbins = 10 !< number of aerosol size bins
578	INTEGER(iwp) :: ncat = 0 !< number of emission categories
579	INTEGER(iwp) :: ncc = 7 !< number of aerosol chemical components
580	INTEGER(iwp) :: nhoursyear = 0 !< number of hours: HOURLY mode
581	INTEGER(iwp) :: nmonthdayhour = 0 !< number of month days and hours: MDH mode
582	INTEGER(iwp) :: num_vars !< number of variables
583	INTEGER(iwp) :: nt = 0 !< number of time steps
584	INTEGER(iwp) :: nz = 0 !< number of vertical levels
585	INTEGER(iwp) :: tind !< time index for reference time in salsa emission data
586
587	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod = 0 !<
588
589	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cat_index !< Index of emission categories
590	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cc_index !< Index of chemical components
591
592	REAL(wp) :: conversion_factor !< unit conversion factor for aerosol emissions
593
594	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< mean diameters of size bins (m)
595	REAL(wp), DIMENSION(:), ALLOCATABLE :: rho !< average density (kg/m3)
596	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time (s)
597	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
598	REAL(wp), DIMENSION(:), ALLOCATABLE :: z !< height (m)
599
600	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: etf !< emission time factor
601	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: stack_height
602
603	END TYPE salsa_emission_attribute_type
604	!
605	!-- The default size distribution and mass composition per emission category:
606	!-- 1 = traffic, 2 = road dust, 3 = wood combustion, 4 = other
607	!-- Mass fractions: H2SO4, OC, BC, DU, SS, HNO3, NH3
608	TYPE salsa_emission_mode_type
609
610	INTEGER(iwp) :: ndm = 3 !< number of default modes
611	INTEGER(iwp) :: ndc = 4 !< number of default categories
612
613	CHARACTER(LEN=25), DIMENSION(1:4) :: cat_name_table = (/'traffic exhaust', &
614	'road dust ', &
615	'wood combustion', &
616	'other '/)
617
618	INTEGER(iwp), DIMENSION(1:4) :: cat_input_to_model !<
619
620	REAL(wp), DIMENSION(1:3) :: dpg_table = (/ 13.5E-9_wp, 1.4E-6_wp, 5.4E-8_wp/) !<
621	REAL(wp), DIMENSION(1:3) :: ntot_table !<
622	REAL(wp), DIMENSION(1:3) :: sigmag_table = (/ 1.6_wp, 1.4_wp, 1.7_wp /) !<
623
624	REAL(wp), DIMENSION(1:maxspec,1:4) :: mass_frac_table = & !<
625	RESHAPE( (/ 0.04_wp, 0.48_wp, 0.48_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
626	0.0_wp, 0.05_wp, 0.0_wp, 0.95_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
627	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
628	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp &
629	/), (/maxspec,4/) )
630
631	REAL(wp), DIMENSION(1:3,1:4) :: pm_frac_table = & !< rel. mass
632	RESHAPE( (/ 0.016_wp, 0.000_wp, 0.984_wp, &
633	0.000_wp, 1.000_wp, 0.000_wp, &
634	0.000_wp, 0.000_wp, 1.000_wp, &
635	1.000_wp, 0.000_wp, 1.000_wp &
636	/), (/3,4/) )
637
638	END TYPE salsa_emission_mode_type
639	!
640	!-- Aerosol emission data values
641	TYPE salsa_emission_value_type
642
643	REAL(wp) :: fill !< fill value
644
645	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: mass_fracs !< mass fractions per emis. category
646	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: num_fracs !< number fractions per emis. category
647
648	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: def_data !< surface emission in PM
649	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: preproc_data !< surface emission per category
650
651	END TYPE salsa_emission_value_type
652	!
653	!-- Offline nesting data type
654	TYPE salsa_nest_offl_type
655
656	CHARACTER(LEN=16) :: char_l = 'ls_forcing_left_' !< leading substring at left boundary
657	CHARACTER(LEN=17) :: char_n = 'ls_forcing_north_' !< leading substring at north boundary
658	CHARACTER(LEN=17) :: char_r = 'ls_forcing_right_' !< leading substring at right boundary
659	CHARACTER(LEN=17) :: char_s = 'ls_forcing_south_' !< leading substring at south boundary
660	CHARACTER(LEN=15) :: char_t = 'ls_forcing_top_' !< leading substring at top boundary
661
662	CHARACTER(LEN=5), DIMENSION(1:ngases_salsa) :: gas_name = (/'H2SO4','HNO3 ','NH3 ','OCNV ','OCSV '/)
663
664	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
665	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< list of variable names
666
667	INTEGER(iwp) :: id_dynamic !< NetCDF id of dynamic input file
668	INTEGER(iwp) :: ncc !< number of aerosol chemical components
669	INTEGER(iwp) :: nt !< number of time levels in dynamic input file
670	INTEGER(iwp) :: nzu !< number of vertical levels on scalar grid in dynamic input file
671	INTEGER(iwp) :: tind !< time index for reference time in mesoscale-offline nesting
672	INTEGER(iwp) :: tind_p !< time index for following time in mesoscale-offline nesting
673
674	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod = 0 !< to transfer chemical composition from input to model
675
676	LOGICAL :: init = .FALSE. !< flag indicating the initialisation of offline nesting
677
678	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< vertical profile of aerosol bin diameters
679	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time in dynamic input file
680	REAL(wp), DIMENSION(:), ALLOCATABLE :: zu_atmos !< zu in dynamic input file
681
682	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_left !< gas conc. at left boundary
683	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_north !< gas conc. at north boundary
684	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_right !< gas conc. at right boundary
685	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_south !< gas conc. at south boundary
686	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_top !< gas conc.at top boundary
687	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_left !< aerosol mass conc. at left boundary
688	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_north !< aerosol mass conc. at north boundary
689	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_right !< aerosol mass conc. at right boundary
690	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_south !< aerosol mass conc. at south boundary
691	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_top !< aerosol mass conc. at top boundary
692	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_left !< aerosol number conc. at left boundary
693	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_north !< aerosol number conc. at north boundary
694	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_right !< aerosol number conc. at right boundary
695	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_south !< aerosol number conc. at south boundary
696	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_top !< aerosol number conc. at top boundary
697
698	END TYPE salsa_nest_offl_type
699	!
700	!-- Prognostic variable: Aerosol size bin information (number (#/m3) and mass (kg/m3) concentration)
701	!-- and the concentration of gaseous tracers (#/m3). Gas tracers are contained sequentially in
702	!-- dimension 4 as:
703	!-- 1. H2SO4, 2. HNO3, 3. NH3, 4. OCNV (non-volatile organics), 5. OCSV (semi-volatile)
704	TYPE salsa_variable
705
706	REAL(wp), DIMENSION(:), ALLOCATABLE :: init !<
707
708	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: diss_s !<
709	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: flux_s !<
710	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: source !<
711	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: sums_ws_l !<
712
713	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: diss_l !<
714	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: flux_l !<
715
716	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: conc !<
717	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: conc_p !<
718	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: tconc_m !<
719
720	END TYPE salsa_variable
721	!
722	!-- Datatype used to store information about the binned size distributions of aerosols
723	TYPE t_section
724
725	REAL(wp) :: dmid !< bin middle diameter (m)
726	REAL(wp) :: vhilim !< bin volume at the high limit
727	REAL(wp) :: vlolim !< bin volume at the low limit
728	REAL(wp) :: vratiohi !< volume ratio between the center and high limit
729	REAL(wp) :: vratiolo !< volume ratio between the center and low limit
730	!******************************************************
731	! ^ Do NOT change the stuff above after initialization !
732	!******************************************************
733	REAL(wp) :: core !< Volume of dry particle
734	REAL(wp) :: dwet !< Wet diameter or mean droplet diameter (m)
735	REAL(wp) :: numc !< Number concentration of particles/droplets (#/m3)
736	REAL(wp) :: veqh2o !< Equilibrium H2O concentration for each particle
737
738	REAL(wp), DIMENSION(maxspec+1) :: volc !< Volume concentrations (m^3/m^3) of aerosols +
739	!< water. Since most of the stuff in SALSA is hard
740	!< coded, these have to be in the order
741	!< 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
742	END TYPE t_section
743
744	TYPE(salsa_emission_attribute_type) :: aero_emission_att !< emission attributes
745	TYPE(salsa_emission_value_type) :: aero_emission !< emission values
746	TYPE(salsa_emission_mode_type) :: def_modes !< default emission modes
747
748	TYPE(chem_emis_att_type) :: chem_emission_att !< chemistry emission attributes
749
750	TYPE(chem_emis_val_type), DIMENSION(:), ALLOCATABLE :: chem_emission !< chemistry emissions
751
752	TYPE(t_section), DIMENSION(:), ALLOCATABLE :: aero !< local aerosol properties
753
754	TYPE(match_surface) :: lsm_to_depo_h !< to match the deposition module and horizontal LSM surfaces
755	TYPE(match_surface) :: usm_to_depo_h !< to match the deposition module and horizontal USM surfaces
756
757	TYPE(match_surface), DIMENSION(0:3) :: lsm_to_depo_v !< to match the deposition mod. and vertical LSM surfaces
758	TYPE(match_surface), DIMENSION(0:3) :: usm_to_depo_v !< to match the deposition mod. and vertical USM surfaces
759	!
760	!-- SALSA variables: as x = x(k,j,i,bin).
761	!-- The 4th dimension contains all the size bins sequentially for each aerosol species + water.
762	!
763	!-- Prognostic variables:
764	!
765	!-- Number concentration (#/m3)
766	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: aerosol_number !<
767	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_1 !<
768	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_2 !<
769	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_3 !<
770	!
771	!-- Mass concentration (kg/m3)
772	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: aerosol_mass !<
773	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_1 !<
774	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_2 !<
775	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_3 !<
776	!
777	!-- Gaseous concentrations (#/m3)
778	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: salsa_gas !<
779	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_1 !<
780	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_2 !<
781	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_3 !<
782	!
783	!-- Diagnostic tracers
784	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: sedim_vd !< sedimentation velocity per bin (m/s)
785	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: ra_dry !< aerosol dry radius (m)
786
787	!-- Particle component index tables
788	TYPE(component_index) :: prtcl !< Contains "getIndex" which gives the index for a given aerosol
789	!< component name: 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
790	!
791	!-- Offline nesting:
792	TYPE(salsa_nest_offl_type) :: salsa_nest_offl !< data structure for offline nesting
793	!
794	!-- Data output arrays:
795	!
796	!-- Gases:
797	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_h2so4_av !< H2SO4
798	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_hno3_av !< HNO3
799	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_nh3_av !< NH3
800	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_ocnv_av !< non-volatile OC
801	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_ocsv_av !< semi-volatile OC
802	!
803	!-- Integrated:
804	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: ldsa_av !< lung-deposited surface area
805	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: ntot_av !< total number concentration
806	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: nufp_av !< ultrafine particles (UFP)
807	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm01_av !< PM0.1
808	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm25_av !< PM2.5
809	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm10_av !< PM10
810	!
811	!-- In the particle phase:
812	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_bc_av !< black carbon
813	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_du_av !< dust
814	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_h2o_av !< liquid water
815	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_nh_av !< ammonia
816	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_no_av !< nitrates
817	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_oc_av !< org. carbon
818	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_so4_av !< sulphates
819	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_ss_av !< sea salt
820	!
821	!-- Bin specific mass and number concentrations:
822	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mbins_av !< bin mas
823	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nbins_av !< bin number
824
825	!
826	!-- PALM interfaces:
827
828	INTERFACE salsa_actions
829	MODULE PROCEDURE salsa_actions
830	MODULE PROCEDURE salsa_actions_ij
831	END INTERFACE salsa_actions
832
833	INTERFACE salsa_3d_data_averaging
834	MODULE PROCEDURE salsa_3d_data_averaging
835	END INTERFACE salsa_3d_data_averaging
836
837	INTERFACE salsa_boundary_conds
838	MODULE PROCEDURE salsa_boundary_conds
839	MODULE PROCEDURE salsa_boundary_conds_decycle
840	END INTERFACE salsa_boundary_conds
841
842	INTERFACE salsa_boundary_conditions
843	MODULE PROCEDURE salsa_boundary_conditions
844	END INTERFACE salsa_boundary_conditions
845
846	INTERFACE salsa_check_data_output
847	MODULE PROCEDURE salsa_check_data_output
848	END INTERFACE salsa_check_data_output
849
850	INTERFACE salsa_check_data_output_pr
851	MODULE PROCEDURE salsa_check_data_output_pr
852	END INTERFACE salsa_check_data_output_pr
853
854	INTERFACE salsa_check_parameters
855	MODULE PROCEDURE salsa_check_parameters
856	END INTERFACE salsa_check_parameters
857
858	INTERFACE salsa_data_output_2d
859	MODULE PROCEDURE salsa_data_output_2d
860	END INTERFACE salsa_data_output_2d
861
862	INTERFACE salsa_data_output_3d
863	MODULE PROCEDURE salsa_data_output_3d
864	END INTERFACE salsa_data_output_3d
865
866	INTERFACE salsa_data_output_mask
867	MODULE PROCEDURE salsa_data_output_mask
868	END INTERFACE salsa_data_output_mask
869
870	INTERFACE salsa_define_netcdf_grid
871	MODULE PROCEDURE salsa_define_netcdf_grid
872	END INTERFACE salsa_define_netcdf_grid
873
874	INTERFACE salsa_emission_update
875	MODULE PROCEDURE salsa_emission_update
876	END INTERFACE salsa_emission_update
877
878	INTERFACE salsa_exchange_horiz_bounds
879	MODULE PROCEDURE salsa_exchange_horiz_bounds
880	END INTERFACE salsa_exchange_horiz_bounds
881
882	INTERFACE salsa_header
883	MODULE PROCEDURE salsa_header
884	END INTERFACE salsa_header
885
886	INTERFACE salsa_init
887	MODULE PROCEDURE salsa_init
888	END INTERFACE salsa_init
889
890	INTERFACE salsa_init_arrays
891	MODULE PROCEDURE salsa_init_arrays
892	END INTERFACE salsa_init_arrays
893
894	INTERFACE salsa_nesting_offl_bc
895	MODULE PROCEDURE salsa_nesting_offl_bc
896	END INTERFACE salsa_nesting_offl_bc
897
898	INTERFACE salsa_nesting_offl_init
899	MODULE PROCEDURE salsa_nesting_offl_init
900	END INTERFACE salsa_nesting_offl_init
901
902	INTERFACE salsa_nesting_offl_input
903	MODULE PROCEDURE salsa_nesting_offl_input
904	END INTERFACE salsa_nesting_offl_input
905
906	INTERFACE salsa_non_advective_processes
907	MODULE PROCEDURE salsa_non_advective_processes
908	MODULE PROCEDURE salsa_non_advective_processes_ij
909	END INTERFACE salsa_non_advective_processes
910
911	INTERFACE salsa_parin
912	MODULE PROCEDURE salsa_parin
913	END INTERFACE salsa_parin
914
915	INTERFACE salsa_prognostic_equations
916	MODULE PROCEDURE salsa_prognostic_equations
917	MODULE PROCEDURE salsa_prognostic_equations_ij
918	END INTERFACE salsa_prognostic_equations
919
920	INTERFACE salsa_rrd_local
921	MODULE PROCEDURE salsa_rrd_local
922	END INTERFACE salsa_rrd_local
923
924	INTERFACE salsa_statistics
925	MODULE PROCEDURE salsa_statistics
926	END INTERFACE salsa_statistics
927
928	INTERFACE salsa_swap_timelevel
929	MODULE PROCEDURE salsa_swap_timelevel
930	END INTERFACE salsa_swap_timelevel
931
932	INTERFACE salsa_tendency
933	MODULE PROCEDURE salsa_tendency
934	MODULE PROCEDURE salsa_tendency_ij
935	END INTERFACE salsa_tendency
936
937	INTERFACE salsa_wrd_local
938	MODULE PROCEDURE salsa_wrd_local
939	END INTERFACE salsa_wrd_local
940
941
942	SAVE
943
944	PRIVATE
945	!
946	!-- Public functions:
947	PUBLIC salsa_3d_data_averaging, &
948	salsa_actions, &
949	salsa_boundary_conds, &
950	salsa_boundary_conditions, &
951	salsa_check_data_output, &
952	salsa_check_data_output_pr, &
953	salsa_check_parameters, &
954	salsa_data_output_2d, &
955	salsa_data_output_3d, &
956	salsa_data_output_mask, &
957	salsa_define_netcdf_grid, &
958	salsa_diagnostics, &
959	salsa_emission_update, &
960	salsa_exchange_horiz_bounds, &
961	salsa_header, &
962	salsa_init, &
963	salsa_init_arrays, &
964	salsa_nesting_offl_bc, &
965	salsa_nesting_offl_init, &
966	salsa_nesting_offl_input, &
967	salsa_non_advective_processes, &
968	salsa_parin, &
969	salsa_prognostic_equations, &
970	salsa_rrd_local, &
971	salsa_statistics, &
972	salsa_swap_timelevel, &
973	salsa_wrd_local
974
975	!
976	!-- Public parameters, constants and initial values
977	PUBLIC bc_am_t_val, &
978	bc_an_t_val, &
979	bc_gt_t_val, &
980	ibc_salsa_b, &
981	init_aerosol_type, &
982	init_gases_type, &
983	nesting_salsa, &
984	nesting_offline_salsa, &
985	salsa_gases_from_chem, &
986	skip_time_do_salsa
987	!
988	!-- Public variables
989	PUBLIC aerosol_mass, &
990	aerosol_number, &
991	gconc_2, &
992	mconc_2, &
993	nbins_aerosol, &
994	ncomponents_mass, &
995	nconc_2, &
996	ngases_salsa, &
997	salsa_gas, &
998	salsa_nest_offl
999
1000
1001	CONTAINS
1002
1003	!------------------------------------------------------------------------------!
1004	! Description:
1005	! ------------
1006	!> Parin for &salsa_par for new modules
1007	!------------------------------------------------------------------------------!
1008	SUBROUTINE salsa_parin
1009
1010	USE control_parameters, &
1011	ONLY: data_output_pr
1012
1013	IMPLICIT NONE
1014
1015	CHARACTER(LEN=80) :: line !< dummy string that contains the current line of parameter file
1016
1017	INTEGER(iwp) :: i !< loop index
1018	INTEGER(iwp) :: max_pr_salsa_tmp !< dummy variable
1019
1020	NAMELIST /salsa_parameters/ aerosol_flux_dpg, &
1021	aerosol_flux_mass_fracs_a, &
1022	aerosol_flux_mass_fracs_b, &
1023	aerosol_flux_sigmag, &
1024	advect_particle_water, &
1025	bc_salsa_b, &
1026	bc_salsa_t, &
1027	decycle_salsa_lr, &
1028	decycle_method_salsa, &
1029	decycle_salsa_ns, &
1030	depo_pcm_par, &
1031	depo_pcm_type, &
1032	depo_surf_par, &
1033	dpg, &
1034	dt_salsa, &
1035	emiss_factor_main, &
1036	emiss_factor_side, &
1037	feedback_to_palm, &
1038	h2so4_init, &
1039	hno3_init, &
1040	listspec, &
1041	main_street_id, &
1042	mass_fracs_a, &
1043	mass_fracs_b, &
1044	max_street_id, &
1045	n_lognorm, &
1046	nbin, &
1047	nesting_salsa, &
1048	nesting_offline_salsa, &
1049	nf2a, &
1050	nh3_init, &
1051	nj3, &
1052	nlcnd, &
1053	nlcndgas, &
1054	nlcndh2oae, &
1055	nlcoag, &
1056	nldepo, &
1057	nldepo_pcm, &
1058	nldepo_surf, &
1059	nldistupdate, &
1060	nsnucl, &
1061	ocnv_init, &
1062	ocsv_init, &
1063	read_restart_data_salsa, &
1064	reglim, &
1065	salsa, &
1066	salsa_emission_mode, &
1067	season_z01, &
1068	sigmag, &
1069	side_street_id, &
1070	skip_time_do_salsa, &
1071	surface_aerosol_flux, &
1072	van_der_waals_coagc, &
1073	write_binary_salsa
1074
1075	line = ' '
1076	!
1077	!-- Try to find salsa package
1078	REWIND ( 11 )
1079	line = ' '
1080	DO WHILE ( INDEX( line, '&salsa_parameters' ) == 0 )
1081	READ ( 11, '(A)', END=10 ) line
1082	ENDDO
1083	BACKSPACE ( 11 )
1084	!
1085	!-- Read user-defined namelist
1086	READ ( 11, salsa_parameters )
1087	!
1088	!-- Enable salsa (salsa switch in modules.f90)
1089	salsa = .TRUE.
1090
1091	10 CONTINUE
1092	!
1093	!-- Update the number of output profiles
1094	max_pr_salsa_tmp = 0
1095	i = 1
1096	DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 )
1097	IF ( TRIM( data_output_pr(i)(1:6) ) == 'salsa_' ) max_pr_salsa_tmp = max_pr_salsa_tmp + 1
1098	i = i + 1
1099	ENDDO
1100	IF ( max_pr_salsa_tmp > 0 ) max_pr_salsa = max_pr_salsa_tmp
1101
1102	END SUBROUTINE salsa_parin
1103
1104	!------------------------------------------------------------------------------!
1105	! Description:
1106	! ------------
1107	!> Check parameters routine for salsa.
1108	!------------------------------------------------------------------------------!
1109	SUBROUTINE salsa_check_parameters
1110
1111	USE control_parameters, &
1112	ONLY: child_domain, humidity, initializing_actions, nesting_offline
1113
1114	IMPLICIT NONE
1115
1116	!
1117	!-- Check that humidity is switched on
1118	IF ( salsa .AND. .NOT. humidity ) THEN
1119	WRITE( message_string, * ) 'salsa = ', salsa, ' is not allowed with humidity = ', humidity
1120	CALL message( 'salsa_check_parameters', 'PA0594', 1, 2, 0, 6, 0 )
1121	ENDIF
1122	!
1123	!-- For nested runs, explicitly set nesting boundary conditions.
1124	IF ( child_domain ) THEN
1125	IF ( nesting_salsa ) THEN
1126	bc_salsa_t = 'nested'
1127	ELSE
1128	bc_salsa_t = 'neumann'
1129	ENDIF
1130	ENDIF
1131	!
1132	!-- Set boundary conditions also in case the model is offline-nested in larger-scale models.
1133	IF ( nesting_offline ) THEN
1134	IF ( nesting_offline_salsa ) THEN
1135	bc_salsa_t = 'nesting_offline'
1136	ELSE
1137	bc_salsa_t = 'neumann'
1138	ENDIF
1139	ENDIF
1140	!
1141	!-- Set bottom boundary condition flag
1142	IF ( bc_salsa_b == 'dirichlet' ) THEN
1143	ibc_salsa_b = 0
1144	ELSEIF ( bc_salsa_b == 'neumann' ) THEN
1145	ibc_salsa_b = 1
1146	ELSE
1147	message_string = 'unknown boundary condition: bc_salsa_b = "' // TRIM( bc_salsa_t ) // '"'
1148	CALL message( 'salsa_check_parameters', 'PA0595', 1, 2, 0, 6, 0 )
1149	ENDIF
1150	!
1151	!-- Set top boundary conditions flag
1152	IF ( bc_salsa_t == 'dirichlet' ) THEN
1153	ibc_salsa_t = 0
1154	ELSEIF ( bc_salsa_t == 'neumann' ) THEN
1155	ibc_salsa_t = 1
1156	ELSEIF ( bc_salsa_t == 'initial_gradient' ) THEN
1157	ibc_salsa_t = 2
1158	ELSEIF ( bc_salsa_t == 'nested' .OR. bc_salsa_t == 'nesting_offline' ) THEN
1159	ibc_salsa_t = 3
1160	ELSE
1161	message_string = 'unknown boundary condition: bc_salsa_t = "' // TRIM( bc_salsa_t ) // '"'
1162	CALL message( 'salsa_check_parameters', 'PA0596', 1, 2, 0, 6, 0 )
1163	ENDIF
1164	!
1165	!-- Check J3 parametrisation
1166	IF ( nj3 < 1 .OR. nj3 > 3 ) THEN
1167	message_string = 'unknown nj3 (must be 1-3)'
1168	CALL message( 'salsa_check_parameters', 'PA0597', 1, 2, 0, 6, 0 )
1169	ENDIF
1170	!
1171	!-- Check bottom boundary condition in case of surface emissions
1172	IF ( salsa_emission_mode /= 'no_emission' .AND. ibc_salsa_b == 0 ) THEN
1173	message_string = 'salsa_emission_mode /= "no_emission" requires bc_salsa_b = "Neumann"'
1174	CALL message( 'salsa_check_parameters','PA0598', 1, 2, 0, 6, 0 )
1175	ENDIF
1176	!
1177	!-- Check whether emissions are applied
1178	IF ( salsa_emission_mode /= 'no_emission' ) include_emission = .TRUE.
1179	!
1180	!-- Set the initialisation type: background concentration are read from PIDS_DYNAMIC if
1181	!-- initializing_actions = 'inifor set_constant_profiles'
1182	IF ( INDEX( initializing_actions, 'inifor' ) /= 0 ) THEN
1183	init_aerosol_type = 1
1184	init_gases_type = 1
1185	ENDIF
1186
1187
1188	END SUBROUTINE salsa_check_parameters
1189
1190	!------------------------------------------------------------------------------!
1191	!
1192	! Description:
1193	! ------------
1194	!> Subroutine defining appropriate grid for netcdf variables.
1195	!> It is called out from subroutine netcdf.
1196	!> Same grid as for other scalars (see netcdf_interface_mod.f90)
1197	!------------------------------------------------------------------------------!
1198	SUBROUTINE salsa_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
1199
1200	IMPLICIT NONE
1201
1202	CHARACTER(LEN=*), INTENT(OUT) :: grid_x !<
1203	CHARACTER(LEN=*), INTENT(OUT) :: grid_y !<
1204	CHARACTER(LEN=*), INTENT(OUT) :: grid_z !<
1205	CHARACTER(LEN=*), INTENT(IN) :: var !<
1206
1207	LOGICAL, INTENT(OUT) :: found !<
1208
1209	found = .TRUE.
1210	!
1211	!-- Check for the grid
1212
1213	IF ( var(1:6) == 'salsa_' ) THEN ! same grid for all salsa output variables
1214	grid_x = 'x'
1215	grid_y = 'y'
1216	grid_z = 'zu'
1217	ELSE
1218	found = .FALSE.
1219	grid_x = 'none'
1220	grid_y = 'none'
1221	grid_z = 'none'
1222	ENDIF
1223
1224	END SUBROUTINE salsa_define_netcdf_grid
1225
1226	!------------------------------------------------------------------------------!
1227	! Description:
1228	! ------------
1229	!> Header output for new module
1230	!------------------------------------------------------------------------------!
1231	SUBROUTINE salsa_header( io )
1232
1233	USE indices, &
1234	ONLY: nx, ny, nz
1235
1236	IMPLICIT NONE
1237
1238	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
1239	!
1240	!-- Write SALSA header
1241	WRITE( io, 1 )
1242	WRITE( io, 2 ) skip_time_do_salsa
1243	WRITE( io, 3 ) dt_salsa
1244	WRITE( io, 4 ) nz, ny, nx, nbins_aerosol
1245	IF ( advect_particle_water ) THEN
1246	WRITE( io, 5 ) nz, ny, nx, ncomponents_mass*nbins_aerosol, advect_particle_water
1247	ELSE
1248	WRITE( io, 5 ) nz, ny, nx, ncc*nbins_aerosol, advect_particle_water
1249	ENDIF
1250	IF ( .NOT. salsa_gases_from_chem ) THEN
1251	WRITE( io, 6 ) nz, ny, nx, ngases_salsa, salsa_gases_from_chem
1252	ENDIF
1253	WRITE( io, 7 )
1254	IF ( nsnucl > 0 ) WRITE( io, 8 ) nsnucl, nj3
1255	IF ( nlcoag ) WRITE( io, 9 )
1256	IF ( nlcnd ) WRITE( io, 10 ) nlcndgas, nlcndh2oae
1257	IF ( lspartition ) WRITE( io, 11 )
1258	IF ( nldepo ) WRITE( io, 12 ) nldepo_pcm, nldepo_surf
1259	WRITE( io, 13 ) reglim, nbin, bin_low_limits
1260	IF ( init_aerosol_type == 0 ) WRITE( io, 14 ) nsect
1261	WRITE( io, 15 ) ncc, listspec, mass_fracs_a, mass_fracs_b
1262	IF ( .NOT. salsa_gases_from_chem ) THEN
1263	WRITE( io, 16 ) ngases_salsa, h2so4_init, hno3_init, nh3_init, ocnv_init, ocsv_init
1264	ENDIF
1265	WRITE( io, 17 ) init_aerosol_type, init_gases_type
1266	IF ( init_aerosol_type == 0 ) THEN
1267	WRITE( io, 18 ) dpg, sigmag, n_lognorm
1268	ELSE
1269	WRITE( io, 19 )
1270	ENDIF
1271	IF ( nesting_salsa ) WRITE( io, 20 ) nesting_salsa
1272	IF ( nesting_offline_salsa ) WRITE( io, 21 ) nesting_offline_salsa
1273	WRITE( io, 22 ) salsa_emission_mode
1274	IF ( salsa_emission_mode == 'uniform' ) THEN
1275	WRITE( io, 23 ) surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
1276	aerosol_flux_mass_fracs_a
1277	ENDIF
1278	IF ( SUM( aerosol_flux_mass_fracs_b ) > 0.0_wp .OR. salsa_emission_mode == 'read_from_file' ) &
1279	THEN
1280	WRITE( io, 24 )
1281	ENDIF
1282
1283	1 FORMAT (//' SALSA information:'/ &
1284	' ------------------------------'/)
1285	2 FORMAT (' Starts at: skip_time_do_salsa = ', F10.2, ' s')
1286	3 FORMAT (/' Timestep: dt_salsa = ', F6.2, ' s')
1287	4 FORMAT (/' Array shape (z,y,x,bins):'/ &
1288	' aerosol_number: ', 4(I3))
1289	5 FORMAT (/' aerosol_mass: ', 4(I3),/ &
1290	' (advect_particle_water = ', L1, ')')
1291	6 FORMAT (' salsa_gas: ', 4(I3),/ &
1292	' (salsa_gases_from_chem = ', L1, ')')
1293	7 FORMAT (/' Aerosol dynamic processes included: ')
1294	8 FORMAT (/' nucleation (scheme = ', I1, ' and J3 parametrization = ', I1, ')')
1295	9 FORMAT (/' coagulation')
1296	10 FORMAT (/' condensation (of precursor gases = ', L1, ' and water vapour = ', L1, ')' )
1297	11 FORMAT (/' dissolutional growth by HNO3 and NH3')
1298	12 FORMAT (/' dry deposition (on vegetation = ', L1, ' and on topography = ', L1, ')')
1299	13 FORMAT (/' Aerosol bin subrange limits (in metres): ', 3(ES10.2E3), / &
1300	' Number of size bins for each aerosol subrange: ', 2I3,/ &
1301	' Aerosol bin limits (in metres): ', 9(ES10.2E3))
1302	14 FORMAT (' Initial number concentration in bins at the lowest level (#/m**3):', 9(ES10.2E3))
1303	15 FORMAT (/' Number of chemical components used: ', I1,/ &
1304	' Species: ',7(A6),/ &
1305	' Initial relative contribution of each species to particle volume in:',/ &
1306	' a-bins: ', 7(F6.3),/ &
1307	' b-bins: ', 7(F6.3))
1308	16 FORMAT (/' Number of gaseous tracers used: ', I1,/ &
1309	' Initial gas concentrations:',/ &
1310	' H2SO4: ',ES12.4E3, ' #/m**3',/ &
1311	' HNO3: ',ES12.4E3, ' #/m**3',/ &
1312	' NH3: ',ES12.4E3, ' #/m**3',/ &
1313	' OCNV: ',ES12.4E3, ' #/m**3',/ &
1314	' OCSV: ',ES12.4E3, ' #/m**3')
1315	17 FORMAT (/' Initialising concentrations: ', / &
1316	' Aerosol size distribution: init_aerosol_type = ', I1,/ &
1317	' Gas concentrations: init_gases_type = ', I1 )
1318	18 FORMAT ( ' Mode diametres: dpg(nmod) = ', 7(F7.3), ' (m)', / &
1319	' Standard deviation: sigmag(nmod) = ', 7(F7.2),/ &
1320	' Number concentration: n_lognorm(nmod) = ', 7(ES12.4E3), ' (#/m3)' )
1321	19 FORMAT (/' Size distribution read from a file.')
1322	20 FORMAT (/' Nesting for salsa variables: ', L1 )
1323	21 FORMAT (/' Offline nesting for salsa variables: ', L1 )
1324	22 FORMAT (/' Emissions: salsa_emission_mode = ', A )
1325	23 FORMAT (/' surface_aerosol_flux = ', ES12.4E3, ' #/m**2/s', / &
1326	' aerosol_flux_dpg = ', 7(F7.3), ' (m)', / &
1327	' aerosol_flux_sigmag = ', 7(F7.2), / &
1328	' aerosol_mass_fracs_a = ', 7(ES12.4E3) )
1329	24 FORMAT (/' (currently all emissions are soluble!)')
1330
1331	END SUBROUTINE salsa_header
1332
1333	!------------------------------------------------------------------------------!
1334	! Description:
1335	! ------------
1336	!> Allocate SALSA arrays and define pointers if required
1337	!------------------------------------------------------------------------------!
1338	SUBROUTINE salsa_init_arrays
1339
1340	USE advec_ws, &
1341	ONLY: ws_init_flags_scalar
1342
1343	USE surface_mod, &
1344	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
1345
1346	IMPLICIT NONE
1347
1348	INTEGER(iwp) :: gases_available !< Number of available gas components in the chemistry model
1349	INTEGER(iwp) :: i !< loop index for allocating
1350	INTEGER(iwp) :: ii !< index for indexing chemical components
1351	INTEGER(iwp) :: l !< loop index for allocating: surfaces
1352	INTEGER(iwp) :: lsp !< loop index for chem species in the chemistry model
1353
1354	gases_available = 0
1355	!
1356	!-- Allocate prognostic variables (see salsa_swap_timelevel)
1357	!
1358	!-- Set derived indices:
1359	!-- (This does the same as the subroutine salsa_initialize in SALSA/UCLALES-SALSA)
1360	start_subrange_1a = 1 ! 1st index of subrange 1a
1361	start_subrange_2a = start_subrange_1a + nbin(1) ! 1st index of subrange 2a
1362	end_subrange_1a = start_subrange_2a - 1 ! last index of subrange 1a
1363	end_subrange_2a = end_subrange_1a + nbin(2) ! last index of subrange 2a
1364
1365	!
1366	!-- If the fraction of insoluble aerosols in subrange 2 is zero: do not allocate arrays for them
1367	IF ( nf2a > 0.999999_wp .AND. SUM( mass_fracs_b ) < 0.00001_wp ) THEN
1368	no_insoluble = .TRUE.
1369	start_subrange_2b = end_subrange_2a+1 ! 1st index of subrange 2b
1370	end_subrange_2b = end_subrange_2a ! last index of subrange 2b
1371	ELSE
1372	start_subrange_2b = start_subrange_2a + nbin(2) ! 1st index of subrange 2b
1373	end_subrange_2b = end_subrange_2a + nbin(2) ! last index of subrange 2b
1374	ENDIF
1375
1376	nbins_aerosol = end_subrange_2b ! total number of aerosol size bins
1377	!
1378	!-- Create index tables for different aerosol components
1379	CALL component_index_constructor( prtcl, ncc, maxspec, listspec )
1380
1381	ncomponents_mass = ncc
1382	IF ( advect_particle_water ) ncomponents_mass = ncc + 1 ! Add water
1383	!
1384	!-- Indices for chemical components used (-1 = not used)
1385	ii = 0
1386	IF ( is_used( prtcl, 'SO4' ) ) THEN
1387	index_so4 = get_index( prtcl,'SO4' )
1388	ii = ii + 1
1389	ENDIF
1390	IF ( is_used( prtcl,'OC' ) ) THEN
1391	index_oc = get_index(prtcl, 'OC')
1392	ii = ii + 1
1393	ENDIF
1394	IF ( is_used( prtcl, 'BC' ) ) THEN
1395	index_bc = get_index( prtcl, 'BC' )
1396	ii = ii + 1
1397	ENDIF
1398	IF ( is_used( prtcl, 'DU' ) ) THEN
1399	index_du = get_index( prtcl, 'DU' )
1400	ii = ii + 1
1401	ENDIF
1402	IF ( is_used( prtcl, 'SS' ) ) THEN
1403	index_ss = get_index( prtcl, 'SS' )
1404	ii = ii + 1
1405	ENDIF
1406	IF ( is_used( prtcl, 'NO' ) ) THEN
1407	index_no = get_index( prtcl, 'NO' )
1408	ii = ii + 1
1409	ENDIF
1410	IF ( is_used( prtcl, 'NH' ) ) THEN
1411	index_nh = get_index( prtcl, 'NH' )
1412	ii = ii + 1
1413	ENDIF
1414	!
1415	!-- All species must be known
1416	IF ( ii /= ncc ) THEN
1417	message_string = 'Unknown aerosol species/component(s) given in the initialization'
1418	CALL message( 'salsa_mod: salsa_init', 'PA0600', 1, 2, 0, 6, 0 )
1419	ENDIF
1420	!
1421	!-- Allocate:
1422	ALLOCATE( aero(nbins_aerosol), bc_am_t_val(nbins_aerosol*ncomponents_mass), &
1423	bc_an_t_val(nbins_aerosol), bc_gt_t_val(ngases_salsa), bin_low_limits(nbins_aerosol),&
1424	nsect(nbins_aerosol), massacc(nbins_aerosol) )
1425	ALLOCATE( k_topo_top(nysg:nyng,nxlg:nxrg) )
1426	IF ( nldepo ) ALLOCATE( sedim_vd(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1427	ALLOCATE( ra_dry(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1428	!
1429	!-- Initialise the sectional particle size distribution
1430	CALL set_sizebins
1431	!
1432	!-- Aerosol number concentration
1433	ALLOCATE( aerosol_number(nbins_aerosol) )
1434	ALLOCATE( nconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1435	nconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1436	nconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1437	nconc_1 = 0.0_wp
1438	nconc_2 = 0.0_wp
1439	nconc_3 = 0.0_wp
1440
1441	DO i = 1, nbins_aerosol
1442	aerosol_number(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,i)
1443	aerosol_number(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,i)
1444	aerosol_number(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_3(:,:,:,i)
1445	ALLOCATE( aerosol_number(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1446	aerosol_number(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1447	aerosol_number(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1448	aerosol_number(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1449	aerosol_number(i)%init(nzb:nzt+1), &
1450	aerosol_number(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1451	aerosol_number(i)%init = nclim
1452	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1453	ALLOCATE( aerosol_number(i)%source(nys:nyn,nxl:nxr) )
1454	aerosol_number(i)%source = 0.0_wp
1455	ENDIF
1456	ENDDO
1457
1458	!
1459	!-- Aerosol mass concentration
1460	ALLOCATE( aerosol_mass(ncomponents_mass*nbins_aerosol) )
1461	ALLOCATE( mconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1462	mconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1463	mconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol) )
1464	mconc_1 = 0.0_wp
1465	mconc_2 = 0.0_wp
1466	mconc_3 = 0.0_wp
1467
1468	DO i = 1, ncomponents_mass*nbins_aerosol
1469	aerosol_mass(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,i)
1470	aerosol_mass(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,i)
1471	aerosol_mass(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_3(:,:,:,i)
1472	ALLOCATE( aerosol_mass(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1473	aerosol_mass(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1474	aerosol_mass(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1475	aerosol_mass(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1476	aerosol_mass(i)%init(nzb:nzt+1), &
1477	aerosol_mass(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1478	aerosol_mass(i)%init = mclim
1479	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1480	ALLOCATE( aerosol_mass(i)%source(nys:nyn,nxl:nxr) )
1481	aerosol_mass(i)%source = 0.0_wp
1482	ENDIF
1483	ENDDO
1484
1485	!
1486	!-- Surface fluxes: answs = aerosol number, amsws = aerosol mass
1487	!
1488	!-- Horizontal surfaces: default type
1489	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1490	ALLOCATE( surf_def_h(l)%answs( 1:surf_def_h(l)%ns, nbins_aerosol ) )
1491	ALLOCATE( surf_def_h(l)%amsws( 1:surf_def_h(l)%ns, nbins_aerosol*ncomponents_mass ) )
1492	surf_def_h(l)%answs = 0.0_wp
1493	surf_def_h(l)%amsws = 0.0_wp
1494	ENDDO
1495	!
1496	!-- Horizontal surfaces: natural type
1497	ALLOCATE( surf_lsm_h%answs( 1:surf_lsm_h%ns, nbins_aerosol ) )
1498	ALLOCATE( surf_lsm_h%amsws( 1:surf_lsm_h%ns, nbins_aerosol*ncomponents_mass ) )
1499	surf_lsm_h%answs = 0.0_wp
1500	surf_lsm_h%amsws = 0.0_wp
1501	!
1502	!-- Horizontal surfaces: urban type
1503	ALLOCATE( surf_usm_h%answs( 1:surf_usm_h%ns, nbins_aerosol ) )
1504	ALLOCATE( surf_usm_h%amsws( 1:surf_usm_h%ns, nbins_aerosol*ncomponents_mass ) )
1505	surf_usm_h%answs = 0.0_wp
1506	surf_usm_h%amsws = 0.0_wp
1507
1508	!
1509	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and westward (l=3) facing
1510	DO l = 0, 3
1511	ALLOCATE( surf_def_v(l)%answs( 1:surf_def_v(l)%ns, nbins_aerosol ) )
1512	surf_def_v(l)%answs = 0.0_wp
1513	ALLOCATE( surf_def_v(l)%amsws( 1:surf_def_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1514	surf_def_v(l)%amsws = 0.0_wp
1515
1516	ALLOCATE( surf_lsm_v(l)%answs( 1:surf_lsm_v(l)%ns, nbins_aerosol ) )
1517	surf_lsm_v(l)%answs = 0.0_wp
1518	ALLOCATE( surf_lsm_v(l)%amsws( 1:surf_lsm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1519	surf_lsm_v(l)%amsws = 0.0_wp
1520
1521	ALLOCATE( surf_usm_v(l)%answs( 1:surf_usm_v(l)%ns, nbins_aerosol ) )
1522	surf_usm_v(l)%answs = 0.0_wp
1523	ALLOCATE( surf_usm_v(l)%amsws( 1:surf_usm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1524	surf_usm_v(l)%amsws = 0.0_wp
1525
1526	ENDDO
1527
1528	!
1529	!-- Concentration of gaseous tracers (1. SO4, 2. HNO3, 3. NH3, 4. OCNV, 5. OCSV)
1530	!-- (number concentration (#/m3) )
1531	!
1532	!-- If chemistry is on, read gas phase concentrations from there. Otherwise,
1533	!-- allocate salsa_gas array.
1534
1535	IF ( air_chemistry ) THEN
1536	DO lsp = 1, nvar
1537	SELECT CASE ( TRIM( chem_species(lsp)%name ) )
1538	CASE ( 'H2SO4', 'h2so4' )
1539	gases_available = gases_available + 1
1540	gas_index_chem(1) = lsp
1541	CASE ( 'HNO3', 'hno3' )
1542	gases_available = gases_available + 1
1543	gas_index_chem(2) = lsp
1544	CASE ( 'NH3', 'nh3' )
1545	gases_available = gases_available + 1
1546	gas_index_chem(3) = lsp
1547	CASE ( 'OCNV', 'ocnv' )
1548	gases_available = gases_available + 1
1549	gas_index_chem(4) = lsp
1550	CASE ( 'OCSV', 'ocsv' )
1551	gases_available = gases_available + 1
1552	gas_index_chem(5) = lsp
1553	END SELECT
1554	ENDDO
1555
1556	IF ( gases_available == ngases_salsa ) THEN
1557	salsa_gases_from_chem = .TRUE.
1558	ELSE
1559	WRITE( message_string, * ) 'SALSA is run together with chemistry but not all gaseous '// &
1560	'components are provided by kpp (H2SO4, HNO3, NH3, OCNV, OCSV)'
1561	CALL message( 'check_parameters', 'PA0599', 1, 2, 0, 6, 0 )
1562	ENDIF
1563
1564	ELSE
1565
1566	ALLOCATE( salsa_gas(ngases_salsa) )
1567	ALLOCATE( gconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1568	gconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1569	gconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa) )
1570	gconc_1 = 0.0_wp
1571	gconc_2 = 0.0_wp
1572	gconc_3 = 0.0_wp
1573
1574	DO i = 1, ngases_salsa
1575	salsa_gas(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,i)
1576	salsa_gas(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,i)
1577	salsa_gas(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_3(:,:,:,i)
1578	ALLOCATE( salsa_gas(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1579	salsa_gas(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1580	salsa_gas(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1581	salsa_gas(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1582	salsa_gas(i)%init(nzb:nzt+1), &
1583	salsa_gas(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1584	salsa_gas(i)%init = nclim
1585	IF ( include_emission ) THEN
1586	ALLOCATE( salsa_gas(i)%source(nys:nys,nxl:nxr) )
1587	salsa_gas(i)%source = 0.0_wp
1588	ENDIF
1589	ENDDO
1590	!
1591	!-- Surface fluxes: gtsws = gaseous tracer flux
1592	!
1593	!-- Horizontal surfaces: default type
1594	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1595	ALLOCATE( surf_def_h(l)%gtsws( 1:surf_def_h(l)%ns, ngases_salsa ) )
1596	surf_def_h(l)%gtsws = 0.0_wp
1597	ENDDO
1598	!-- Horizontal surfaces: natural type
1599	ALLOCATE( surf_lsm_h%gtsws( 1:surf_lsm_h%ns, ngases_salsa ) )
1600	surf_lsm_h%gtsws = 0.0_wp
1601	!-- Horizontal surfaces: urban type
1602	ALLOCATE( surf_usm_h%gtsws( 1:surf_usm_h%ns, ngases_salsa ) )
1603	surf_usm_h%gtsws = 0.0_wp
1604	!
1605	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and
1606	!-- westward (l=3) facing
1607	DO l = 0, 3
1608	ALLOCATE( surf_def_v(l)%gtsws( 1:surf_def_v(l)%ns, ngases_salsa ) )
1609	surf_def_v(l)%gtsws = 0.0_wp
1610	ALLOCATE( surf_lsm_v(l)%gtsws( 1:surf_lsm_v(l)%ns, ngases_salsa ) )
1611	surf_lsm_v(l)%gtsws = 0.0_wp
1612	ALLOCATE( surf_usm_v(l)%gtsws( 1:surf_usm_v(l)%ns, ngases_salsa ) )
1613	surf_usm_v(l)%gtsws = 0.0_wp
1614	ENDDO
1615	ENDIF
1616
1617	IF ( ws_scheme_sca ) THEN
1618
1619	IF ( salsa ) THEN
1620	ALLOCATE( sums_salsa_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1621	sums_salsa_ws_l = 0.0_wp
1622	ENDIF
1623
1624	ENDIF
1625	!
1626	!-- Set control flags for decycling only at lateral boundary cores. Within the inner cores the
1627	!-- decycle flag is set to .FALSE.. Even though it does not affect the setting of chemistry boundary
1628	!-- conditions, this flag is used to set advection control flags appropriately.
1629	decycle_salsa_lr = MERGE( decycle_salsa_lr, .FALSE., nxl == 0 .OR. nxr == nx )
1630	decycle_salsa_ns = MERGE( decycle_salsa_ns, .FALSE., nys == 0 .OR. nyn == ny )
1631	!
1632	!-- Decycling can be applied separately for aerosol variables, while wind and other scalars may have
1633	!-- cyclic or nested boundary conditions. However, large gradients near the boundaries may produce
1634	!-- stationary numerical oscillations near the lateral boundaries when a higher-order scheme is
1635	!-- applied near these boundaries. To get rid-off this, set-up additional flags that control the
1636	!-- order of the scalar advection scheme near the lateral boundaries for passive scalars with
1637	!-- decycling.
1638	IF ( scalar_advec == 'ws-scheme' ) THEN
1639	ALLOCATE( salsa_advc_flags_s(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
1640	!
1641	!-- In case of decycling, set Neuman boundary conditions for wall_flags_0 bit 31 instead of
1642	!-- cyclic boundary conditions. Bit 31 is used to identify extended degradation zones (please see
1643	!-- the following comment). Note, since several also other modules may access this bit but may
1644	!-- have other boundary conditions, the original value of wall_flags_0 bit 31 must not be
1645	!-- modified. Hence, store the boundary conditions directly on salsa_advc_flags_s.
1646	!-- salsa_advc_flags_s will be later overwritten in ws_init_flags_scalar and bit 31 won't be used
1647	!-- to control the numerical order.
1648	!-- Initialize with flag 31 only.
1649	salsa_advc_flags_s = 0
1650	salsa_advc_flags_s = MERGE( IBSET( salsa_advc_flags_s, 31 ), 0, BTEST( wall_flags_0, 31 ) )
1651
1652	IF ( decycle_salsa_ns ) THEN
1653	IF ( nys == 0 ) THEN
1654	DO i = 1, nbgp
1655	salsa_advc_flags_s(:,nys-i,:) = MERGE( IBSET( salsa_advc_flags_s(:,nys,:), 31 ), &
1656	IBCLR( salsa_advc_flags_s(:,nys,:), 31 ), &
1657	BTEST( salsa_advc_flags_s(:,nys,:), 31 ) )
1658	ENDDO
1659	ENDIF
1660	IF ( nyn == ny ) THEN
1661	DO i = 1, nbgp
1662	salsa_advc_flags_s(:,nyn+i,:) = MERGE( IBSET( salsa_advc_flags_s(:,nyn,:), 31 ), &
1663	IBCLR( salsa_advc_flags_s(:,nyn,:), 31 ), &
1664	BTEST( salsa_advc_flags_s(:,nyn,:), 31 ) )
1665	ENDDO
1666	ENDIF
1667	ENDIF
1668	IF ( decycle_salsa_lr ) THEN
1669	IF ( nxl == 0 ) THEN
1670	DO i = 1, nbgp
1671	salsa_advc_flags_s(:,:,nxl-i) = MERGE( IBSET( salsa_advc_flags_s(:,:,nxl), 31 ), &
1672	IBCLR( salsa_advc_flags_s(:,:,nxl), 31 ), &
1673	BTEST( salsa_advc_flags_s(:,:,nxl), 31 ) )
1674	ENDDO
1675	ENDIF
1676	IF ( nxr == nx ) THEN
1677	DO i = 1, nbgp
1678	salsa_advc_flags_s(:,:,nxr+i) = MERGE( IBSET( salsa_advc_flags_s(:,:,nxr), 31 ), &
1679	IBCLR( salsa_advc_flags_s(:,:,nxr), 31 ), &
1680	BTEST( salsa_advc_flags_s(:,:,nxr), 31 ) )
1681	ENDDO
1682	ENDIF
1683	ENDIF
1684	!
1685	!-- To initialise the advection flags appropriately, pass the boundary flags to
1686	!-- ws_init_flags_scalar. The last argument in ws_init_flags_scalar indicates that a passive
1687	!-- scalar is being treated and the horizontal advection terms are degraded already 2 grid points
1688	!-- before the lateral boundary. Also, extended degradation zones are applied, where
1689	!-- horizontal advection of scalars is discretised by the first-order scheme at all grid points
1690	!-- in the vicinity of buildings (<= 3 grid points). Even though no building is within the
1691	!-- numerical stencil, the first-order scheme is used. At fourth and fifth grid points, the order
1692	!-- of the horizontal advection scheme is successively upgraded.
1693	!-- These degradations of the advection scheme are done to avoid stationary numerical
1694	!-- oscillations, which are responsible for high concentration maxima that may appear e.g. under
1695	!-- shear-free stable conditions.
1696	CALL ws_init_flags_scalar( bc_dirichlet_l .OR. bc_radiation_l .OR. decycle_salsa_lr, &
1697	bc_dirichlet_n .OR. bc_radiation_n .OR. decycle_salsa_ns, &
1698	bc_dirichlet_r .OR. bc_radiation_r .OR. decycle_salsa_lr, &
1699	bc_dirichlet_s .OR. bc_radiation_s .OR. decycle_salsa_ns, &
1700	salsa_advc_flags_s, .TRUE. )
1701	ENDIF
1702
1703
1704	END SUBROUTINE salsa_init_arrays
1705
1706	!------------------------------------------------------------------------------!
1707	! Description:
1708	! ------------
1709	!> Initialization of SALSA. Based on salsa_initialize in UCLALES-SALSA.
1710	!> Subroutines salsa_initialize, SALSAinit and DiagInitAero in UCLALES-SALSA are
1711	!> also merged here.
1712	!------------------------------------------------------------------------------!
1713	SUBROUTINE salsa_init
1714
1715	IMPLICIT NONE
1716
1717	INTEGER(iwp) :: i !<
1718	INTEGER(iwp) :: ib !< loop index for aerosol number bins
1719	INTEGER(iwp) :: ic !< loop index for aerosol mass bins
1720	INTEGER(iwp) :: ig !< loop index for gases
1721	INTEGER(iwp) :: j !<
1722
1723	IF ( debug_output ) CALL debug_message( 'salsa_init', 'start' )
1724
1725	bin_low_limits = 0.0_wp
1726	k_topo_top = 0
1727	nsect = 0.0_wp
1728	massacc = 1.0_wp
1729	!
1730	!-- Initialise
1731	IF ( nldepo ) sedim_vd = 0.0_wp
1732
1733	IF ( .NOT. salsa_gases_from_chem ) THEN
1734	IF ( .NOT. read_restart_data_salsa ) THEN
1735	salsa_gas(1)%conc = h2so4_init
1736	salsa_gas(2)%conc = hno3_init
1737	salsa_gas(3)%conc = nh3_init
1738	salsa_gas(4)%conc = ocnv_init
1739	salsa_gas(5)%conc = ocsv_init
1740	ENDIF
1741	DO ig = 1, ngases_salsa
1742	salsa_gas(ig)%conc_p = 0.0_wp
1743	salsa_gas(ig)%tconc_m = 0.0_wp
1744	salsa_gas(ig)%flux_s = 0.0_wp
1745	salsa_gas(ig)%diss_s = 0.0_wp
1746	salsa_gas(ig)%flux_l = 0.0_wp
1747	salsa_gas(ig)%diss_l = 0.0_wp
1748	salsa_gas(ig)%sums_ws_l = 0.0_wp
1749	salsa_gas(ig)%conc_p = salsa_gas(ig)%conc
1750	ENDDO
1751	!
1752	!-- Set initial value for gas compound tracer
1753	salsa_gas(1)%init = h2so4_init
1754	salsa_gas(2)%init = hno3_init
1755	salsa_gas(3)%init = nh3_init
1756	salsa_gas(4)%init = ocnv_init
1757	salsa_gas(5)%init = ocsv_init
1758	ENDIF
1759	!
1760	!-- Aerosol radius in each bin: dry and wet (m)
1761	ra_dry = 1.0E-10_wp
1762	!
1763	!-- Initialise location-dependent aerosol size distributions and chemical compositions:
1764	CALL aerosol_init
1765
1766	!-- Initalisation run of SALSA + calculate the vertical top index of the topography
1767	DO i = nxl, nxr
1768	DO j = nys, nyn
1769
1770	k_topo_top(j,i) = MAXLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,j,i), 12 ) ), DIM = 1 ) - 1
1771
1772	CALL salsa_driver( i, j, 1 )
1773	CALL salsa_diagnostics( i, j )
1774	ENDDO
1775	ENDDO
1776
1777	DO ib = 1, nbins_aerosol
1778	aerosol_number(ib)%conc_p = aerosol_number(ib)%conc
1779	aerosol_number(ib)%tconc_m = 0.0_wp
1780	aerosol_number(ib)%flux_s = 0.0_wp
1781	aerosol_number(ib)%diss_s = 0.0_wp
1782	aerosol_number(ib)%flux_l = 0.0_wp
1783	aerosol_number(ib)%diss_l = 0.0_wp
1784	aerosol_number(ib)%sums_ws_l = 0.0_wp
1785	ENDDO
1786	DO ic = 1, ncomponents_mass*nbins_aerosol
1787	aerosol_mass(ic)%conc_p = aerosol_mass(ic)%conc
1788	aerosol_mass(ic)%tconc_m = 0.0_wp
1789	aerosol_mass(ic)%flux_s = 0.0_wp
1790	aerosol_mass(ic)%diss_s = 0.0_wp
1791	aerosol_mass(ic)%flux_l = 0.0_wp
1792	aerosol_mass(ic)%diss_l = 0.0_wp
1793	aerosol_mass(ic)%sums_ws_l = 0.0_wp
1794	ENDDO
1795	!
1796	!
1797	!-- Initialise the deposition scheme and surface types
1798	IF ( nldepo ) CALL init_deposition
1799
1800	IF ( include_emission ) THEN
1801	!
1802	!-- Read in and initialize emissions
1803	CALL salsa_emission_setup( .TRUE. )
1804	IF ( .NOT. salsa_gases_from_chem .AND. salsa_emission_mode == 'read_from_file' ) THEN
1805	CALL salsa_gas_emission_setup( .TRUE. )
1806	ENDIF
1807	ENDIF
1808	!
1809	!-- Partition and dissolutional growth by gaseous HNO3 and NH3
1810	IF ( index_no > 0 .AND. index_nh > 0 .AND. index_so4 > 0 ) lspartition = .TRUE.
1811
1812	IF ( debug_output ) CALL debug_message( 'salsa_init', 'end' )
1813
1814	END SUBROUTINE salsa_init
1815
1816	!------------------------------------------------------------------------------!
1817	! Description:
1818	! ------------
1819	!> Initializes particle size distribution grid by calculating size bin limits
1820	!> and mid-size for dry particles in each bin. Called from salsa_initialize
1821	!> (only at the beginning of simulation).
1822	!> Size distribution described using:
1823	!> 1) moving center method (subranges 1 and 2)
1824	!> (Jacobson, Atmos. Env., 31, 131-144, 1997)
1825	!> 2) fixed sectional method (subrange 3)
1826	!> Size bins in each subrange are spaced logarithmically
1827	!> based on given subrange size limits and bin number.
1828	!
1829	!> Mona changed 06/2017: Use geometric mean diameter to describe the mean
1830	!> particle diameter in a size bin, not the arithmeric mean which clearly
1831	!> overestimates the total particle volume concentration.
1832	!
1833	!> Coded by:
1834	!> Hannele Korhonen (FMI) 2005
1835	!> Harri Kokkola (FMI) 2006
1836	!
1837	!> Bug fixes for box model + updated for the new aerosol datatype:
1838	!> Juha Tonttila (FMI) 2014
1839	!------------------------------------------------------------------------------!
1840	SUBROUTINE set_sizebins
1841
1842	IMPLICIT NONE
1843
1844	INTEGER(iwp) :: cc !< running index
1845	INTEGER(iwp) :: dd !< running index
1846
1847	REAL(wp) :: ratio_d !< ratio of the upper and lower diameter of subranges
1848
1849	aero(:)%dwet = 1.0E-10_wp
1850	aero(:)%veqh2o = 1.0E-10_wp
1851	aero(:)%numc = nclim
1852	aero(:)%core = 1.0E-10_wp
1853	DO cc = 1, maxspec+1 ! 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
1854	aero(:)%volc(cc) = 0.0_wp
1855	ENDDO
1856	!
1857	!-- vlolim&vhilim: min & max dry volumes [fxm]
1858	!-- dmid: bin mid dry diameter (m)
1859	!-- vratiolo&vratiohi: volume ratio between the center and low/high limit
1860	!
1861	!-- 1) Size subrange 1:
1862	ratio_d = reglim(2) / reglim(1) ! section spacing (m)
1863	DO cc = start_subrange_1a, end_subrange_1a
1864	aero(cc)%vlolim = api6 * ( reglim(1) * ratio_d( REAL( cc-1 ) / nbin(1) ) )3
1865	aero(cc)%vhilim = api6 * ( reglim(1) * ratio_d( REAL( cc ) / nbin(1) ) )3
1866	aero(cc)%dmid = SQRT( ( aero(cc)%vhilim / api6 )*0.33333333_wp &
1867	( aero(cc)%vlolim / api6 )**0.33333333_wp )
1868	aero(cc)%vratiohi = aero(cc)%vhilim / ( api6 * aero(cc)%dmid**3 )
1869	aero(cc)%vratiolo = aero(cc)%vlolim / ( api6 * aero(cc)%dmid**3 )
1870	ENDDO
1871	!
1872	!-- 2) Size subrange 2:
1873	!-- 2.1) Sub-subrange 2a: high hygroscopicity
1874	ratio_d = reglim(3) / reglim(2) ! section spacing
1875	DO dd = start_subrange_2a, end_subrange_2a
1876	cc = dd - start_subrange_2a
1877	aero(dd)%vlolim = api6 * ( reglim(2) * ratio_d( REAL( cc ) / nbin(2) ) )3
1878	aero(dd)%vhilim = api6 * ( reglim(2) * ratio_d( REAL( cc+1 ) / nbin(2) ) )3
1879	aero(dd)%dmid = SQRT( ( aero(dd)%vhilim / api6 )*0.33333333_wp &
1880	( aero(dd)%vlolim / api6 )**0.33333333_wp )
1881	aero(dd)%vratiohi = aero(dd)%vhilim / ( api6 * aero(dd)%dmid**3 )
1882	aero(dd)%vratiolo = aero(dd)%vlolim / ( api6 * aero(dd)%dmid**3 )
1883	ENDDO
1884	!
1885	!-- 2.2) Sub-subrange 2b: low hygroscopicity
1886	IF ( .NOT. no_insoluble ) THEN
1887	aero(start_subrange_2b:end_subrange_2b)%vlolim = aero(start_subrange_2a:end_subrange_2a)%vlolim
1888	aero(start_subrange_2b:end_subrange_2b)%vhilim = aero(start_subrange_2a:end_subrange_2a)%vhilim
1889	aero(start_subrange_2b:end_subrange_2b)%dmid = aero(start_subrange_2a:end_subrange_2a)%dmid
1890	aero(start_subrange_2b:end_subrange_2b)%vratiohi = aero(start_subrange_2a:end_subrange_2a)%vratiohi
1891	aero(start_subrange_2b:end_subrange_2b)%vratiolo = aero(start_subrange_2a:end_subrange_2a)%vratiolo
1892	ENDIF
1893	!
1894	!-- Initialize the wet diameter with the bin dry diameter to avoid numerical problems later
1895	aero(:)%dwet = aero(:)%dmid
1896	!
1897	!-- Save bin limits (lower diameter) to be delivered to PALM if needed
1898	DO cc = 1, nbins_aerosol
1899	bin_low_limits(cc) = ( aero(cc)%vlolim / api6 )**0.33333333_wp
1900	ENDDO
1901
1902	END SUBROUTINE set_sizebins
1903
1904	!------------------------------------------------------------------------------!
1905	! Description:
1906	! ------------
1907	!> Initilize altitude-dependent aerosol size distributions and compositions.
1908	!>
1909	!> Mona added 06/2017: Correct the number and mass concentrations by normalizing
1910	!< by the given total number and mass concentration.
1911	!>
1912	!> Tomi Raatikainen, FMI, 29.2.2016
1913	!------------------------------------------------------------------------------!
1914	SUBROUTINE aerosol_init
1915
1916	USE netcdf_data_input_mod, &
1917	ONLY: check_existence, close_input_file, get_dimension_length, &
1918	get_attribute, get_variable, &
1919	inquire_num_variables, inquire_variable_names, &
1920	open_read_file
1921
1922	IMPLICIT NONE
1923
1924	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
1925	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names
1926
1927	INTEGER(iwp) :: ee !< index: end
1928	INTEGER(iwp) :: i !< loop index: x-direction
1929	INTEGER(iwp) :: ib !< loop index: size bins
1930	INTEGER(iwp) :: ic !< loop index: chemical components
1931	INTEGER(iwp) :: id_dyn !< NetCDF id of PIDS_DYNAMIC_SALSA
1932	INTEGER(iwp) :: ig !< loop index: gases
1933	INTEGER(iwp) :: j !< loop index: y-direction
1934	INTEGER(iwp) :: k !< loop index: z-direction
1935	INTEGER(iwp) :: lod_aero !< level of detail of inital aerosol concentrations
1936	INTEGER(iwp) :: num_vars !< number of variables
1937	INTEGER(iwp) :: pr_nbins !< number of aerosol size bins in file
1938	INTEGER(iwp) :: pr_ncc !< number of aerosol chemical components in file
1939	INTEGER(iwp) :: pr_nz !< number of vertical grid-points in file
1940	INTEGER(iwp) :: prunmode !< running mode of SALSA
1941	INTEGER(iwp) :: ss !< index: start
1942
1943	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod
1944
1945	LOGICAL :: netcdf_extend = .FALSE. !< Flag: netcdf file exists
1946
1947	REAL(wp) :: flag !< flag to mask topography grid points
1948
1949	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
1950
1951	REAL(wp), DIMENSION(0:nz+1) :: pnf2a !< number fraction in 2a
1952	REAL(wp), DIMENSION(0:nz+1) :: pmfoc1a !< mass fraction of OC in 1a
1953
1954	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol) :: pndist !< vertical profile of size dist. (#/m3)
1955	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2a !< mass distributions in subrange 2a
1956	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2b !< mass distributions in subrange 2b
1957
1958	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_dmid !< vertical profile of aerosol bin diameters
1959	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_z !< z levels of profiles
1960
1961	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_a !< mass fraction: a
1962	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_b !< and b
1963
1964	cc_in2mod = 0
1965	prunmode = 1
1966	!
1967	!-- Bin mean aerosol particle volume (m3)
1968	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
1969	!
1970	!-- Set concentrations to zero
1971	pndist(:,:) = 0.0_wp
1972	pnf2a(:) = nf2a
1973	pmf2a(:,:) = 0.0_wp
1974	pmf2b(:,:) = 0.0_wp
1975	pmfoc1a(:) = 0.0_wp
1976
1977	IF ( init_aerosol_type == 1 ) THEN
1978	!
1979	!-- Read input profiles from PIDS_DYNAMIC_SALSA
1980	#if defined( __netcdf )
1981	!
1982	!-- Location-dependent size distributions and compositions.
1983	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1984	IF ( netcdf_extend ) THEN
1985	!
1986	!-- Open file in read-only mode
1987	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
1988	!
1989	!-- At first, inquire all variable names
1990	CALL inquire_num_variables( id_dyn, num_vars )
1991	!
1992	!-- Allocate memory to store variable names
1993	ALLOCATE( var_names(1:num_vars) )
1994	CALL inquire_variable_names( id_dyn, var_names )
1995	!
1996	!-- Inquire vertical dimension and number of aerosol chemical components
1997	CALL get_dimension_length( id_dyn, pr_nz, 'z' )
1998	IF ( pr_nz /= nz ) THEN
1999	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
2000	'the number of numeric grid points.'
2001	CALL message( 'aerosol_init', 'PA0601', 1, 2, 0, 6, 0 )
2002	ENDIF
2003	CALL get_dimension_length( id_dyn, pr_ncc, 'composition_index' )
2004	!
2005	!-- Allocate memory
2006	ALLOCATE( pr_z(1:pr_nz), pr_mass_fracs_a(nzb:nzt+1,pr_ncc), &
2007	pr_mass_fracs_b(nzb:nzt+1,pr_ncc) )
2008	pr_mass_fracs_a = 0.0_wp
2009	pr_mass_fracs_b = 0.0_wp
2010	!
2011	!-- Read vertical levels
2012	CALL get_variable( id_dyn, 'z', pr_z )
2013	!
2014	!-- Read the names of chemical components
2015	IF ( check_existence( var_names, 'composition_name' ) ) THEN
2016	CALL get_variable( id_dyn, 'composition_name', cc_name, pr_ncc )
2017	ELSE
2018	WRITE( message_string, * ) 'Missing composition_name in ' // TRIM( input_file_dynamic )
2019	CALL message( 'aerosol_init', 'PA0655', 1, 2, 0, 6, 0 )
2020	ENDIF
2021	!
2022	!-- Define the index of each chemical component in the model
2023	DO ic = 1, pr_ncc
2024	SELECT CASE ( TRIM( cc_name(ic) ) )
2025	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
2026	cc_in2mod(1) = ic
2027	CASE ( 'OC', 'oc' )
2028	cc_in2mod(2) = ic
2029	CASE ( 'BC', 'bc' )
2030	cc_in2mod(3) = ic
2031	CASE ( 'DU', 'du' )
2032	cc_in2mod(4) = ic
2033	CASE ( 'SS', 'ss' )
2034	cc_in2mod(5) = ic
2035	CASE ( 'HNO3', 'hno3', 'NO3', 'no3', 'NO', 'no' )
2036	cc_in2mod(6) = ic
2037	CASE ( 'NH3', 'nh3', 'NH4', 'nh4', 'NH', 'nh' )
2038	cc_in2mod(7) = ic
2039	END SELECT
2040	ENDDO
2041
2042	IF ( SUM( cc_in2mod ) == 0 ) THEN
2043	message_string = 'None of the aerosol chemical components in ' // TRIM( &
2044	input_file_dynamic ) // ' correspond to ones applied in SALSA.'
2045	CALL message( 'salsa_mod: aerosol_init', 'PA0602', 2, 2, 0, 6, 0 )
2046	ENDIF
2047	!
2048	!-- Vertical profiles of mass fractions of different chemical components:
2049	IF ( check_existence( var_names, 'init_atmosphere_mass_fracs_a' ) ) THEN
2050	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_a', pr_mass_fracs_a, &
2051	0, pr_ncc-1, 0, pr_nz-1 )
2052	ELSE
2053	WRITE( message_string, * ) 'Missing init_atmosphere_mass_fracs_a in ' // &
2054	TRIM( input_file_dynamic )
2055	CALL message( 'aerosol_init', 'PA0656', 1, 2, 0, 6, 0 )
2056	ENDIF
2057	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_b', pr_mass_fracs_b, &
2058	0, pr_ncc-1, 0, pr_nz-1 )
2059	!
2060	!-- Match the input data with the chemical composition applied in the model
2061	DO ic = 1, maxspec
2062	ss = cc_in2mod(ic)
2063	IF ( ss == 0 ) CYCLE
2064	pmf2a(nzb+1:nzt+1,ic) = pr_mass_fracs_a(nzb:nzt,ss)
2065	pmf2b(nzb+1:nzt+1,ic) = pr_mass_fracs_b(nzb:nzt,ss)
2066	ENDDO
2067	!
2068	!-- Aerosol concentrations: lod=1 (vertical profile of sectional number size distribution)
2069	CALL get_attribute( id_dyn, 'lod', lod_aero, .FALSE., 'init_atmosphere_aerosol' )
2070	IF ( lod_aero /= 1 ) THEN
2071	message_string = 'Currently only lod=1 accepted for init_atmosphere_aerosol'
2072	CALL message( 'salsa_mod: aerosol_init', 'PA0603', 2, 2, 0, 6, 0 )
2073	ELSE
2074	!
2075	!-- Bin mean diameters in the input file
2076	CALL get_dimension_length( id_dyn, pr_nbins, 'Dmid')
2077	IF ( pr_nbins /= nbins_aerosol ) THEN
2078	message_string = 'Number of size bins in init_atmosphere_aerosol does not match ' &
2079	// 'with that applied in the model'
2080	CALL message( 'salsa_mod: aerosol_init', 'PA0604', 2, 2, 0, 6, 0 )
2081	ENDIF
2082
2083	ALLOCATE( pr_dmid(pr_nbins) )
2084	pr_dmid = 0.0_wp
2085
2086	CALL get_variable( id_dyn, 'Dmid', pr_dmid )
2087	!
2088	!-- Check whether the sectional representation conform to the one
2089	!-- applied in the model
2090	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - pr_dmid ) / &
2091	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
2092	message_string = 'Mean diameters of the aerosol size bins in ' // TRIM( &
2093	input_file_dynamic ) // ' do not match with the sectional '// &
2094	'representation of the model.'
2095	CALL message( 'salsa_mod: aerosol_init', 'PA0605', 2, 2, 0, 6, 0 )
2096	ENDIF
2097	!
2098	!-- Inital aerosol concentrations
2099	CALL get_variable( id_dyn, 'init_atmosphere_aerosol', pndist(nzb+1:nzt,:), &
2100	0, pr_nbins-1, 0, pr_nz-1 )
2101	ENDIF
2102	!
2103	!-- Set bottom and top boundary condition (Neumann)
2104	pmf2a(nzb,:) = pmf2a(nzb+1,:)
2105	pmf2a(nzt+1,:) = pmf2a(nzt,:)
2106	pmf2b(nzb,:) = pmf2b(nzb+1,:)
2107	pmf2b(nzt+1,:) = pmf2b(nzt,:)
2108	pndist(nzb,:) = pndist(nzb+1,:)
2109	pndist(nzt+1,:) = pndist(nzt,:)
2110
2111	IF ( index_so4 < 0 ) THEN
2112	pmf2a(:,1) = 0.0_wp
2113	pmf2b(:,1) = 0.0_wp
2114	ENDIF
2115	IF ( index_oc < 0 ) THEN
2116	pmf2a(:,2) = 0.0_wp
2117	pmf2b(:,2) = 0.0_wp
2118	ENDIF
2119	IF ( index_bc < 0 ) THEN
2120	pmf2a(:,3) = 0.0_wp
2121	pmf2b(:,3) = 0.0_wp
2122	ENDIF
2123	IF ( index_du < 0 ) THEN
2124	pmf2a(:,4) = 0.0_wp
2125	pmf2b(:,4) = 0.0_wp
2126	ENDIF
2127	IF ( index_ss < 0 ) THEN
2128	pmf2a(:,5) = 0.0_wp
2129	pmf2b(:,5) = 0.0_wp
2130	ENDIF
2131	IF ( index_no < 0 ) THEN
2132	pmf2a(:,6) = 0.0_wp
2133	pmf2b(:,6) = 0.0_wp
2134	ENDIF
2135	IF ( index_nh < 0 ) THEN
2136	pmf2a(:,7) = 0.0_wp
2137	pmf2b(:,7) = 0.0_wp
2138	ENDIF
2139
2140	IF ( SUM( pmf2a ) < 0.00001_wp .AND. SUM( pmf2b ) < 0.00001_wp ) THEN
2141	message_string = 'Error in initialising mass fractions of chemical components. ' // &
2142	'Check that all chemical components are included in parameter file!'
2143	CALL message( 'salsa_mod: aerosol_init', 'PA0606', 2, 2, 0, 6, 0 )
2144	ENDIF
2145	!
2146	!-- Then normalise the mass fraction so that SUM = 1
2147	DO k = nzb, nzt+1
2148	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
2149	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
2150	ENDDO
2151
2152	DEALLOCATE( pr_z, pr_mass_fracs_a, pr_mass_fracs_b )
2153
2154	ELSE
2155	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
2156	' for SALSA missing!'
2157	CALL message( 'salsa_mod: aerosol_init', 'PA0607', 1, 2, 0, 6, 0 )
2158	!
2159	!-- Close input file
2160	CALL close_input_file( id_dyn )
2161	ENDIF ! netcdf_extend
2162
2163	#else
2164	message_string = 'init_aerosol_type = 1 but preprocessor directive __netcdf is not used '// &
2165	'in compiling!'
2166	CALL message( 'salsa_mod: aerosol_init', 'PA0608', 1, 2, 0, 6, 0 )
2167
2168	#endif
2169
2170	ELSEIF ( init_aerosol_type == 0 ) THEN
2171	!
2172	!-- Mass fractions for species in a and b-bins
2173	IF ( index_so4 > 0 ) THEN
2174	pmf2a(:,1) = mass_fracs_a(index_so4)
2175	pmf2b(:,1) = mass_fracs_b(index_so4)
2176	ENDIF
2177	IF ( index_oc > 0 ) THEN
2178	pmf2a(:,2) = mass_fracs_a(index_oc)
2179	pmf2b(:,2) = mass_fracs_b(index_oc)
2180	ENDIF
2181	IF ( index_bc > 0 ) THEN
2182	pmf2a(:,3) = mass_fracs_a(index_bc)
2183	pmf2b(:,3) = mass_fracs_b(index_bc)
2184	ENDIF
2185	IF ( index_du > 0 ) THEN
2186	pmf2a(:,4) = mass_fracs_a(index_du)
2187	pmf2b(:,4) = mass_fracs_b(index_du)
2188	ENDIF
2189	IF ( index_ss > 0 ) THEN
2190	pmf2a(:,5) = mass_fracs_a(index_ss)
2191	pmf2b(:,5) = mass_fracs_b(index_ss)
2192	ENDIF
2193	IF ( index_no > 0 ) THEN
2194	pmf2a(:,6) = mass_fracs_a(index_no)
2195	pmf2b(:,6) = mass_fracs_b(index_no)
2196	ENDIF
2197	IF ( index_nh > 0 ) THEN
2198	pmf2a(:,7) = mass_fracs_a(index_nh)
2199	pmf2b(:,7) = mass_fracs_b(index_nh)
2200	ENDIF
2201	DO k = nzb, nzt+1
2202	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
2203	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
2204	ENDDO
2205
2206	CALL size_distribution( n_lognorm, dpg, sigmag, nsect )
2207	!
2208	!-- Normalize by the given total number concentration
2209	nsect = nsect * SUM( n_lognorm ) / SUM( nsect )
2210	DO ib = start_subrange_1a, end_subrange_2b
2211	pndist(:,ib) = nsect(ib)
2212	ENDDO
2213	ENDIF
2214
2215	IF ( init_gases_type == 1 ) THEN
2216	!
2217	!-- Read input profiles from PIDS_CHEM
2218	#if defined( __netcdf )
2219	!
2220	!-- Location-dependent size distributions and compositions.
2221	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
2222	IF ( netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
2223	!
2224	!-- Open file in read-only mode
2225	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
2226	!
2227	!-- Inquire dimensions:
2228	CALL get_dimension_length( id_dyn, pr_nz, 'z' )
2229	IF ( pr_nz /= nz ) THEN
2230	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
2231	'the number of numeric grid points.'
2232	CALL message( 'aerosol_init', 'PA0609', 1, 2, 0, 6, 0 )
2233	ENDIF
2234	!
2235	!-- Read vertical profiles of gases:
2236	CALL get_variable( id_dyn, 'init_atmosphere_H2SO4', salsa_gas(1)%init(nzb+1:nzt) )
2237	CALL get_variable( id_dyn, 'init_atmosphere_HNO3', salsa_gas(2)%init(nzb+1:nzt) )
2238	CALL get_variable( id_dyn, 'init_atmosphere_NH3', salsa_gas(3)%init(nzb+1:nzt) )
2239	CALL get_variable( id_dyn, 'init_atmosphere_OCNV', salsa_gas(4)%init(nzb+1:nzt) )
2240	CALL get_variable( id_dyn, 'init_atmosphere_OCSV', salsa_gas(5)%init(nzb+1:nzt) )
2241	!
2242	!-- Set Neumann top and surface boundary condition for initial + initialise concentrations
2243	DO ig = 1, ngases_salsa
2244	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
2245	salsa_gas(ig)%init(nzt+1) = salsa_gas(ig)%init(nzt)
2246	IF ( .NOT. read_restart_data_salsa ) THEN
2247	DO k = nzb, nzt+1
2248	salsa_gas(ig)%conc(k,:,:) = salsa_gas(ig)%init(k)
2249	ENDDO
2250	ENDIF
2251	ENDDO
2252
2253	ELSEIF ( .NOT. netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
2254	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
2255	' for SALSA missing!'
2256	CALL message( 'salsa_mod: aerosol_init', 'PA0610', 1, 2, 0, 6, 0 )
2257	!
2258	!-- Close input file
2259	CALL close_input_file( id_dyn )
2260	ENDIF ! netcdf_extend
2261	#else
2262	message_string = 'init_gases_type = 1 but preprocessor directive __netcdf is not used in '//&
2263	'compiling!'
2264	CALL message( 'salsa_mod: aerosol_init', 'PA0611', 1, 2, 0, 6, 0 )
2265
2266	#endif
2267
2268	ENDIF
2269	!
2270	!-- Both SO4 and OC are included, so use the given mass fractions
2271	IF ( index_oc > 0 .AND. index_so4 > 0 ) THEN
2272	pmfoc1a(:) = pmf2a(:,2) / ( pmf2a(:,2) + pmf2a(:,1) ) ! Normalize
2273	!
2274	!-- Pure organic carbon
2275	ELSEIF ( index_oc > 0 ) THEN
2276	pmfoc1a(:) = 1.0_wp
2277	!
2278	!-- Pure SO4
2279	ELSEIF ( index_so4 > 0 ) THEN
2280	pmfoc1a(:) = 0.0_wp
2281
2282	ELSE
2283	message_string = 'Either OC or SO4 must be active for aerosol region 1a!'
2284	CALL message( 'salsa_mod: aerosol_init', 'PA0612', 1, 2, 0, 6, 0 )
2285	ENDIF
2286
2287	!
2288	!-- Initialize concentrations
2289	DO i = nxlg, nxrg
2290	DO j = nysg, nyng
2291	DO k = nzb, nzt+1
2292	!
2293	!-- Predetermine flag to mask topography
2294	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2295	!
2296	!-- a) Number concentrations
2297	!-- Region 1:
2298	DO ib = start_subrange_1a, end_subrange_1a
2299	IF ( .NOT. read_restart_data_salsa ) THEN
2300	aerosol_number(ib)%conc(k,j,i) = pndist(k,ib) * flag
2301	ENDIF
2302	IF ( prunmode == 1 ) THEN
2303	aerosol_number(ib)%init = pndist(:,ib)
2304	ENDIF
2305	ENDDO
2306	!
2307	!-- Region 2:
2308	IF ( nreg > 1 ) THEN
2309	DO ib = start_subrange_2a, end_subrange_2a
2310	IF ( .NOT. read_restart_data_salsa ) THEN
2311	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, pnf2a(k) ) * pndist(k,ib) * flag
2312	ENDIF
2313	IF ( prunmode == 1 ) THEN
2314	aerosol_number(ib)%init = MAX( 0.0_wp, nf2a ) * pndist(:,ib)
2315	ENDIF
2316	ENDDO
2317	IF ( .NOT. no_insoluble ) THEN
2318	DO ib = start_subrange_2b, end_subrange_2b
2319	IF ( pnf2a(k) < 1.0_wp ) THEN
2320	IF ( .NOT. read_restart_data_salsa ) THEN
2321	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pnf2a(k) ) * &
2322	pndist(k,ib) * flag
2323	ENDIF
2324	IF ( prunmode == 1 ) THEN
2325	aerosol_number(ib)%init = MAX( 0.0_wp, 1.0_wp - nf2a ) * pndist(:,ib)
2326	ENDIF
2327	ENDIF
2328	ENDDO
2329	ENDIF
2330	ENDIF
2331	!
2332	!-- b) Aerosol mass concentrations
2333	!-- bin subrange 1: done here separately due to the SO4/OC convention
2334	!
2335	!-- SO4:
2336	IF ( index_so4 > 0 ) THEN
2337	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a !< start
2338	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a !< end
2339	ib = start_subrange_1a
2340	DO ic = ss, ee
2341	IF ( .NOT. read_restart_data_salsa ) THEN
2342	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * &
2343	pndist(k,ib) * core(ib) * arhoh2so4 * flag
2344	ENDIF
2345	IF ( prunmode == 1 ) THEN
2346	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib) &
2347	* core(ib) * arhoh2so4
2348	ENDIF
2349	ib = ib+1
2350	ENDDO
2351	ENDIF
2352	!
2353	!-- OC:
2354	IF ( index_oc > 0 ) THEN
2355	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a !< start
2356	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a !< end
2357	ib = start_subrange_1a
2358	DO ic = ss, ee
2359	IF ( .NOT. read_restart_data_salsa ) THEN
2360	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
2361	core(ib) * arhooc * flag
2362	ENDIF
2363	IF ( prunmode == 1 ) THEN
2364	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
2365	core(ib) * arhooc
2366	ENDIF
2367	ib = ib+1
2368	ENDDO
2369	ENDIF
2370	ENDDO !< k
2371
2372	prunmode = 3 ! Init only once
2373
2374	ENDDO !< j
2375	ENDDO !< i
2376
2377	!
2378	!-- c) Aerosol mass concentrations
2379	!-- bin subrange 2:
2380	IF ( nreg > 1 ) THEN
2381
2382	IF ( index_so4 > 0 ) THEN
2383	CALL set_aero_mass( index_so4, pmf2a(:,1), pmf2b(:,1), pnf2a, pndist, core, arhoh2so4 )
2384	ENDIF
2385	IF ( index_oc > 0 ) THEN
2386	CALL set_aero_mass( index_oc, pmf2a(:,2), pmf2b(:,2), pnf2a, pndist, core, arhooc )
2387	ENDIF
2388	IF ( index_bc > 0 ) THEN
2389	CALL set_aero_mass( index_bc, pmf2a(:,3), pmf2b(:,3), pnf2a, pndist, core, arhobc )
2390	ENDIF
2391	IF ( index_du > 0 ) THEN
2392	CALL set_aero_mass( index_du, pmf2a(:,4), pmf2b(:,4), pnf2a, pndist, core, arhodu )
2393	ENDIF
2394	IF ( index_ss > 0 ) THEN
2395	CALL set_aero_mass( index_ss, pmf2a(:,5), pmf2b(:,5), pnf2a, pndist, core, arhoss )
2396	ENDIF
2397	IF ( index_no > 0 ) THEN
2398	CALL set_aero_mass( index_no, pmf2a(:,6), pmf2b(:,6), pnf2a, pndist, core, arhohno3 )
2399	ENDIF
2400	IF ( index_nh > 0 ) THEN
2401	CALL set_aero_mass( index_nh, pmf2a(:,7), pmf2b(:,7), pnf2a, pndist, core, arhonh3 )
2402	ENDIF
2403
2404	ENDIF
2405
2406	END SUBROUTINE aerosol_init
2407
2408	!------------------------------------------------------------------------------!
2409	! Description:
2410	! ------------
2411	!> Create a lognormal size distribution and discretise to a sectional
2412	!> representation.
2413	!------------------------------------------------------------------------------!
2414	SUBROUTINE size_distribution( in_ntot, in_dpg, in_sigma, psd_sect )
2415
2416	IMPLICIT NONE
2417
2418	INTEGER(iwp) :: ib !< running index: bin
2419	INTEGER(iwp) :: iteration !< running index: iteration
2420
2421	REAL(wp) :: d1 !< particle diameter (m, dummy)
2422	REAL(wp) :: d2 !< particle diameter (m, dummy)
2423	REAL(wp) :: delta_d !< (d2-d1)/10
2424	REAL(wp) :: deltadp !< bin width
2425	REAL(wp) :: dmidi !< ( d1 + d2 ) / 2
2426
2427	REAL(wp), DIMENSION(:), INTENT(in) :: in_dpg !< geometric mean diameter (m)
2428	REAL(wp), DIMENSION(:), INTENT(in) :: in_ntot !< number conc. (#/m3)
2429	REAL(wp), DIMENSION(:), INTENT(in) :: in_sigma !< standard deviation
2430
2431	REAL(wp), DIMENSION(:), INTENT(inout) :: psd_sect !< sectional size distribution
2432
2433	DO ib = start_subrange_1a, end_subrange_2b
2434	psd_sect(ib) = 0.0_wp
2435	!
2436	!-- Particle diameter at the low limit (largest in the bin) (m)
2437	d1 = ( aero(ib)%vlolim / api6 )**0.33333333_wp
2438	!
2439	!-- Particle diameter at the high limit (smallest in the bin) (m)
2440	d2 = ( aero(ib)%vhilim / api6 )**0.33333333_wp
2441	!
2442	!-- Span of particle diameter in a bin (m)
2443	delta_d = 0.1_wp * ( d2 - d1 )
2444	!
2445	!-- Iterate:
2446	DO iteration = 1, 10
2447	d1 = ( aero(ib)%vlolim / api6 )*0.33333333_wp + ( ib - 1) delta_d
2448	d2 = d1 + delta_d
2449	dmidi = 0.5_wp * ( d1 + d2 )
2450	deltadp = LOG10( d2 / d1 )
2451	!
2452	!-- Size distribution
2453	!-- in_ntot = total number, total area, or total volume concentration
2454	!-- in_dpg = geometric-mean number, area, or volume diameter
2455	!-- n(k) = number, area, or volume concentration in a bin
2456	psd_sect(ib) = psd_sect(ib) + SUM( in_ntot * deltadp / ( SQRT( 2.0_wp * pi ) * &
2457	LOG10( in_sigma ) ) * EXP( -LOG10( dmidi / in_dpg )**2.0_wp / &
2458	( 2.0_wp * LOG10( in_sigma ) ** 2.0_wp ) ) )
2459
2460	ENDDO
2461	ENDDO
2462
2463	END SUBROUTINE size_distribution
2464
2465	!------------------------------------------------------------------------------!
2466	! Description:
2467	! ------------
2468	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
2469	!>
2470	!> Tomi Raatikainen, FMI, 29.2.2016
2471	!------------------------------------------------------------------------------!
2472	SUBROUTINE set_aero_mass( ispec, pmf2a, pmf2b, pnf2a, pndist, pcore, prho )
2473
2474	IMPLICIT NONE
2475
2476	INTEGER(iwp) :: ee !< index: end
2477	INTEGER(iwp) :: i !< loop index
2478	INTEGER(iwp) :: ib !< loop index
2479	INTEGER(iwp) :: ic !< loop index
2480	INTEGER(iwp) :: j !< loop index
2481	INTEGER(iwp) :: k !< loop index
2482	INTEGER(iwp) :: prunmode !< 1 = initialise
2483	INTEGER(iwp) :: ss !< index: start
2484
2485	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
2486
2487	REAL(wp) :: flag !< flag to mask topography grid points
2488
2489	REAL(wp), INTENT(in) :: prho !< Aerosol density
2490
2491	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pcore !< Aerosol bin mid core volume
2492	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pnf2a !< Number fraction for 2a
2493	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2a !< Mass distributions for a
2494	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2b !< and b bins
2495
2496	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol), INTENT(in) :: pndist !< Aerosol size distribution
2497
2498	prunmode = 1
2499
2500	DO i = nxlg, nxrg
2501	DO j = nysg, nyng
2502	DO k = nzb, nzt+1
2503	!
2504	!-- Predetermine flag to mask topography
2505	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2506	!
2507	!-- Regime 2a:
2508	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
2509	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
2510	ib = start_subrange_2a
2511	DO ic = ss, ee
2512	IF ( .NOT. read_restart_data_salsa ) THEN
2513	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib)&
2514	* pcore(ib) * prho * flag
2515	ENDIF
2516	IF ( prunmode == 1 ) THEN
2517	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2518	pcore(ib) * prho
2519	ENDIF
2520	ib = ib + 1
2521	ENDDO
2522	!
2523	!-- Regime 2b:
2524	IF ( .NOT. no_insoluble ) THEN
2525	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2b
2526	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2b
2527	ib = start_subrange_2a
2528	DO ic = ss, ee
2529	IF ( .NOT. read_restart_data_salsa ) THEN
2530	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k))&
2531	* pndist(k,ib) * pcore(ib) * prho * flag
2532	ENDIF
2533	IF ( prunmode == 1 ) THEN
2534	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) * &
2535	pndist(k,ib) * pcore(ib) * prho
2536	ENDIF
2537	ib = ib + 1
2538	ENDDO ! c
2539
2540	ENDIF
2541	ENDDO ! k
2542
2543	prunmode = 3 ! Init only once
2544
2545	ENDDO ! j
2546	ENDDO ! i
2547
2548	END SUBROUTINE set_aero_mass
2549
2550	!------------------------------------------------------------------------------!
2551	! Description:
2552	! ------------
2553	!> Initialise the matching between surface types in LSM and deposition models.
2554	!> Do the matching based on Zhang et al. (2001). Atmos. Environ. 35, 549-560
2555	!> (here referred as Z01).
2556	!------------------------------------------------------------------------------!
2557	SUBROUTINE init_deposition
2558
2559	USE surface_mod, &
2560	ONLY: surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2561
2562	IMPLICIT NONE
2563
2564	INTEGER(iwp) :: l !< loop index for vertical surfaces
2565
2566	LOGICAL :: match_lsm !< flag to initilise LSM surfaces (if false, initialise USM surfaces)
2567
2568	IF ( depo_pcm_par == 'zhang2001' ) THEN
2569	depo_pcm_par_num = 1
2570	ELSEIF ( depo_pcm_par == 'petroff2010' ) THEN
2571	depo_pcm_par_num = 2
2572	ENDIF
2573
2574	IF ( depo_surf_par == 'zhang2001' ) THEN
2575	depo_surf_par_num = 1
2576	ELSEIF ( depo_surf_par == 'petroff2010' ) THEN
2577	depo_surf_par_num = 2
2578	ENDIF
2579	!
2580	!-- LSM: Pavement, vegetation and water
2581	IF ( nldepo_surf .AND. land_surface ) THEN
2582	match_lsm = .TRUE.
2583	ALLOCATE( lsm_to_depo_h%match_lupg(1:surf_lsm_h%ns), &
2584	lsm_to_depo_h%match_luvw(1:surf_lsm_h%ns), &
2585	lsm_to_depo_h%match_luww(1:surf_lsm_h%ns) )
2586	lsm_to_depo_h%match_lupg = 0
2587	lsm_to_depo_h%match_luvw = 0
2588	lsm_to_depo_h%match_luww = 0
2589	CALL match_sm_zhang( surf_lsm_h, lsm_to_depo_h%match_lupg, lsm_to_depo_h%match_luvw, &
2590	lsm_to_depo_h%match_luww, match_lsm )
2591	DO l = 0, 3
2592	ALLOCATE( lsm_to_depo_v(l)%match_lupg(1:surf_lsm_v(l)%ns), &
2593	lsm_to_depo_v(l)%match_luvw(1:surf_lsm_v(l)%ns), &
2594	lsm_to_depo_v(l)%match_luww(1:surf_lsm_v(l)%ns) )
2595	lsm_to_depo_v(l)%match_lupg = 0
2596	lsm_to_depo_v(l)%match_luvw = 0
2597	lsm_to_depo_v(l)%match_luww = 0
2598	CALL match_sm_zhang( surf_lsm_v(l), lsm_to_depo_v(l)%match_lupg, &
2599	lsm_to_depo_v(l)%match_luvw, lsm_to_depo_v(l)%match_luww, match_lsm )
2600	ENDDO
2601	ENDIF
2602	!
2603	!-- USM: Green roofs/walls, wall surfaces and windows
2604	IF ( nldepo_surf .AND. urban_surface ) THEN
2605	match_lsm = .FALSE.
2606	ALLOCATE( usm_to_depo_h%match_lupg(1:surf_usm_h%ns), &
2607	usm_to_depo_h%match_luvw(1:surf_usm_h%ns), &
2608	usm_to_depo_h%match_luww(1:surf_usm_h%ns) )
2609	usm_to_depo_h%match_lupg = 0
2610	usm_to_depo_h%match_luvw = 0
2611	usm_to_depo_h%match_luww = 0
2612	CALL match_sm_zhang( surf_usm_h, usm_to_depo_h%match_lupg, usm_to_depo_h%match_luvw, &
2613	usm_to_depo_h%match_luww, match_lsm )
2614	DO l = 0, 3
2615	ALLOCATE( usm_to_depo_v(l)%match_lupg(1:surf_usm_v(l)%ns), &
2616	usm_to_depo_v(l)%match_luvw(1:surf_usm_v(l)%ns), &
2617	usm_to_depo_v(l)%match_luww(1:surf_usm_v(l)%ns) )
2618	usm_to_depo_v(l)%match_lupg = 0
2619	usm_to_depo_v(l)%match_luvw = 0
2620	usm_to_depo_v(l)%match_luww = 0
2621	CALL match_sm_zhang( surf_usm_v(l), usm_to_depo_v(l)%match_lupg, &
2622	usm_to_depo_v(l)%match_luvw, usm_to_depo_v(l)%match_luww, match_lsm )
2623	ENDDO
2624	ENDIF
2625
2626	IF ( nldepo_pcm ) THEN
2627	SELECT CASE ( depo_pcm_type )
2628	CASE ( 'evergreen_needleleaf' )
2629	depo_pcm_type_num = 1
2630	CASE ( 'evergreen_broadleaf' )
2631	depo_pcm_type_num = 2
2632	CASE ( 'deciduous_needleleaf' )
2633	depo_pcm_type_num = 3
2634	CASE ( 'deciduous_broadleaf' )
2635	depo_pcm_type_num = 4
2636	CASE DEFAULT
2637	message_string = 'depo_pcm_type not set correctly.'
2638	CALL message( 'salsa_mod: init_deposition', 'PA0613', 1, 2, 0, 6, 0 )
2639	END SELECT
2640	ENDIF
2641
2642	END SUBROUTINE init_deposition
2643
2644	!------------------------------------------------------------------------------!
2645	! Description:
2646	! ------------
2647	!> Match the surface types in PALM and Zhang et al. 2001 deposition module
2648	!------------------------------------------------------------------------------!
2649	SUBROUTINE match_sm_zhang( surf, match_pav_green, match_veg_wall, match_wat_win, match_lsm )
2650
2651	USE surface_mod, &
2652	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
2653
2654	IMPLICIT NONE
2655
2656	INTEGER(iwp) :: m !< index for surface elements
2657	INTEGER(iwp) :: pav_type_palm !< pavement / green wall type in PALM
2658	INTEGER(iwp) :: veg_type_palm !< vegetation / wall type in PALM
2659	INTEGER(iwp) :: wat_type_palm !< water / window type in PALM
2660
2661	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_pav_green !< matching pavement/green walls
2662	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_veg_wall !< matching vegetation/walls
2663	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_wat_win !< matching water/windows
2664
2665	LOGICAL, INTENT(in) :: match_lsm !< flag to initilise LSM surfaces (if false, initialise USM)
2666
2667	TYPE(surf_type), INTENT(in) :: surf !< respective surface type
2668
2669	DO m = 1, surf%ns
2670	IF ( match_lsm ) THEN
2671	!
2672	!-- Vegetation (LSM):
2673	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2674	veg_type_palm = surf%vegetation_type(m)
2675	SELECT CASE ( veg_type_palm )
2676	CASE ( 0 )
2677	message_string = 'No vegetation type defined.'
2678	CALL message( 'salsa_mod: init_depo_surfaces', 'PA0614', 1, 2, 0, 6, 0 )
2679	CASE ( 1 ) ! bare soil
2680	match_veg_wall(m) = 6 ! grass in Z01
2681	CASE ( 2 ) ! crops, mixed farming
2682	match_veg_wall(m) = 7 ! crops, mixed farming Z01
2683	CASE ( 3 ) ! short grass
2684	match_veg_wall(m) = 6 ! grass in Z01
2685	CASE ( 4 ) ! evergreen needleleaf trees
2686	match_veg_wall(m) = 1 ! evergreen needleleaf trees in Z01
2687	CASE ( 5 ) ! deciduous needleleaf trees
2688	match_veg_wall(m) = 3 ! deciduous needleleaf trees in Z01
2689	CASE ( 6 ) ! evergreen broadleaf trees
2690	match_veg_wall(m) = 2 ! evergreen broadleaf trees in Z01
2691	CASE ( 7 ) ! deciduous broadleaf trees
2692	match_veg_wall(m) = 4 ! deciduous broadleaf trees in Z01
2693	CASE ( 8 ) ! tall grass
2694	match_veg_wall(m) = 6 ! grass in Z01
2695	CASE ( 9 ) ! desert
2696	match_veg_wall(m) = 8 ! desert in Z01
2697	CASE ( 10 ) ! tundra
2698	match_veg_wall(m) = 9 ! tundra in Z01
2699	CASE ( 11 ) ! irrigated crops
2700	match_veg_wall(m) = 7 ! crops, mixed farming Z01
2701	CASE ( 12 ) ! semidesert
2702	match_veg_wall(m) = 8 ! desert in Z01
2703	CASE ( 13 ) ! ice caps and glaciers
2704	match_veg_wall(m) = 12 ! ice cap and glacier in Z01
2705	CASE ( 14 ) ! bogs and marshes
2706	match_veg_wall(m) = 11 ! wetland with plants in Z01
2707	CASE ( 15 ) ! evergreen shrubs
2708	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2709	CASE ( 16 ) ! deciduous shrubs
2710	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2711	CASE ( 17 ) ! mixed forest/woodland
2712	match_veg_wall(m) = 5 ! mixed broadleaf and needleleaf trees in Z01
2713	CASE ( 18 ) ! interrupted forest
2714	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2715	END SELECT
2716	ENDIF
2717	!
2718	!-- Pavement (LSM):
2719	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2720	pav_type_palm = surf%pavement_type(m)
2721	IF ( pav_type_palm == 0 ) THEN ! error
2722	message_string = 'No pavement type defined.'
2723	CALL message( 'salsa_mod: match_sm_zhang', 'PA0615', 1, 2, 0, 6, 0 )
2724	ELSE
2725	match_pav_green(m) = 15 ! urban in Z01
2726	ENDIF
2727	ENDIF
2728	!
2729	!-- Water (LSM):
2730	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2731	wat_type_palm = surf%water_type(m)
2732	IF ( wat_type_palm == 0 ) THEN ! error
2733	message_string = 'No water type defined.'
2734	CALL message( 'salsa_mod: match_sm_zhang', 'PA0616', 1, 2, 0, 6, 0 )
2735	ELSEIF ( wat_type_palm == 3 ) THEN
2736	match_wat_win(m) = 14 ! ocean in Z01
2737	ELSEIF ( wat_type_palm == 1 .OR. wat_type_palm == 2 .OR. wat_type_palm == 4 &
2738	.OR. wat_type_palm == 5 ) THEN
2739	match_wat_win(m) = 13 ! inland water in Z01
2740	ENDIF
2741	ENDIF
2742	ELSE
2743	!
2744	!-- Wall surfaces (USM):
2745	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2746	match_veg_wall(m) = 15 ! urban in Z01
2747	ENDIF
2748	!
2749	!-- Green walls and roofs (USM):
2750	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2751	match_pav_green(m) = 6 ! (short) grass in Z01
2752	ENDIF
2753	!
2754	!-- Windows (USM):
2755	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2756	match_wat_win(m) = 15 ! urban in Z01
2757	ENDIF
2758	ENDIF
2759
2760	ENDDO
2761
2762	END SUBROUTINE match_sm_zhang
2763
2764	!------------------------------------------------------------------------------!
2765	! Description:
2766	! ------------
2767	!> Swapping of timelevels
2768	!------------------------------------------------------------------------------!
2769	SUBROUTINE salsa_swap_timelevel( mod_count )
2770
2771	IMPLICIT NONE
2772
2773	INTEGER(iwp) :: ib !<
2774	INTEGER(iwp) :: ic !<
2775	INTEGER(iwp) :: icc !<
2776	INTEGER(iwp) :: ig !<
2777
2778	INTEGER(iwp), INTENT(IN) :: mod_count !<
2779
2780	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
2781
2782	SELECT CASE ( mod_count )
2783
2784	CASE ( 0 )
2785
2786	DO ib = 1, nbins_aerosol
2787	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2788	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2789
2790	DO ic = 1, ncomponents_mass
2791	icc = ( ic-1 ) * nbins_aerosol + ib
2792	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2793	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2794	ENDDO
2795	ENDDO
2796
2797	IF ( .NOT. salsa_gases_from_chem ) THEN
2798	DO ig = 1, ngases_salsa
2799	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2800	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2801	ENDDO
2802	ENDIF
2803
2804	CASE ( 1 )
2805
2806	DO ib = 1, nbins_aerosol
2807	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2808	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2809	DO ic = 1, ncomponents_mass
2810	icc = ( ic-1 ) * nbins_aerosol + ib
2811	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2812	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2813	ENDDO
2814	ENDDO
2815
2816	IF ( .NOT. salsa_gases_from_chem ) THEN
2817	DO ig = 1, ngases_salsa
2818	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2819	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2820	ENDDO
2821	ENDIF
2822
2823	END SELECT
2824
2825	ENDIF
2826
2827	END SUBROUTINE salsa_swap_timelevel
2828
2829
2830	!------------------------------------------------------------------------------!
2831	! Description:
2832	! ------------
2833	!> This routine reads the respective restart data.
2834	!------------------------------------------------------------------------------!
2835	SUBROUTINE salsa_rrd_local( k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, nxr_on_file, nynf, nync, &
2836	nyn_on_file, nysf, nysc, nys_on_file, tmp_3d, found )
2837
2838	USE control_parameters, &
2839	ONLY: length, restart_string
2840
2841	IMPLICIT NONE
2842
2843	INTEGER(iwp) :: ib !<
2844	INTEGER(iwp) :: ic !<
2845	INTEGER(iwp) :: ig !<
2846	INTEGER(iwp) :: k !<
2847	INTEGER(iwp) :: nxlc !<
2848	INTEGER(iwp) :: nxlf !<
2849	INTEGER(iwp) :: nxl_on_file !<
2850	INTEGER(iwp) :: nxrc !<
2851	INTEGER(iwp) :: nxrf !<
2852	INTEGER(iwp) :: nxr_on_file !<
2853	INTEGER(iwp) :: nync !<
2854	INTEGER(iwp) :: nynf !<
2855	INTEGER(iwp) :: nyn_on_file !<
2856	INTEGER(iwp) :: nysc !<
2857	INTEGER(iwp) :: nysf !<
2858	INTEGER(iwp) :: nys_on_file !<
2859
2860	LOGICAL, INTENT(OUT) :: found !<
2861
2862	REAL(wp), &
2863	DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !<
2864
2865	found = .FALSE.
2866
2867	IF ( read_restart_data_salsa ) THEN
2868
2869	SELECT CASE ( restart_string(1:length) )
2870
2871	CASE ( 'aerosol_number' )
2872	DO ib = 1, nbins_aerosol
2873	IF ( k == 1 ) READ ( 13 ) tmp_3d
2874	aerosol_number(ib)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2875	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2876	found = .TRUE.
2877	ENDDO
2878
2879	CASE ( 'aerosol_mass' )
2880	DO ic = 1, ncomponents_mass * nbins_aerosol
2881	IF ( k == 1 ) READ ( 13 ) tmp_3d
2882	aerosol_mass(ic)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2883	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2884	found = .TRUE.
2885	ENDDO
2886
2887	CASE ( 'salsa_gas' )
2888	DO ig = 1, ngases_salsa
2889	IF ( k == 1 ) READ ( 13 ) tmp_3d
2890	salsa_gas(ig)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2891	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2892	found = .TRUE.
2893	ENDDO
2894
2895	CASE DEFAULT
2896	found = .FALSE.
2897
2898	END SELECT
2899	ENDIF
2900
2901	END SUBROUTINE salsa_rrd_local
2902
2903	!------------------------------------------------------------------------------!
2904	! Description:
2905	! ------------
2906	!> This routine writes the respective restart data.
2907	!> Note that the following input variables in PARIN have to be equal between
2908	!> restart runs:
2909	!> listspec, nbin, nbin2, nf2a, ncc, mass_fracs_a, mass_fracs_b
2910	!------------------------------------------------------------------------------!
2911	SUBROUTINE salsa_wrd_local
2912
2913	USE control_parameters, &
2914	ONLY: write_binary
2915
2916	IMPLICIT NONE
2917
2918	INTEGER(iwp) :: ib !<
2919	INTEGER(iwp) :: ic !<
2920	INTEGER(iwp) :: ig !<
2921
2922	IF ( write_binary .AND. write_binary_salsa ) THEN
2923
2924	CALL wrd_write_string( 'aerosol_number' )
2925	DO ib = 1, nbins_aerosol
2926	WRITE ( 14 ) aerosol_number(ib)%conc
2927	ENDDO
2928
2929	CALL wrd_write_string( 'aerosol_mass' )
2930	DO ic = 1, nbins_aerosol * ncomponents_mass
2931	WRITE ( 14 ) aerosol_mass(ic)%conc
2932	ENDDO
2933
2934	CALL wrd_write_string( 'salsa_gas' )
2935	DO ig = 1, ngases_salsa
2936	WRITE ( 14 ) salsa_gas(ig)%conc
2937	ENDDO
2938
2939	ENDIF
2940
2941	END SUBROUTINE salsa_wrd_local
2942
2943	!------------------------------------------------------------------------------!
2944	! Description:
2945	! ------------
2946	!> Performs necessary unit and dimension conversion between the host model and
2947	!> SALSA module, and calls the main SALSA routine.
2948	!> Partially adobted form the original SALSA boxmodel version.
2949	!> Now takes masses in as kg/kg from LES!! Converted to m3/m3 for SALSA
2950	!> 05/2016 Juha: This routine is still pretty much in its original shape.
2951	!> It's dumb as a mule and twice as ugly, so implementation of
2952	!> an improved solution is necessary sooner or later.
2953	!> Juha Tonttila, FMI, 2014
2954	!> Jaakko Ahola, FMI, 2016
2955	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2956	!------------------------------------------------------------------------------!
2957	SUBROUTINE salsa_driver( i, j, prunmode )
2958
2959	USE arrays_3d, &
2960	ONLY: pt_p, q_p, u, v, w
2961
2962	USE plant_canopy_model_mod, &
2963	ONLY: lad_s
2964
2965	USE surface_mod, &
2966	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2967
2968	IMPLICIT NONE
2969
2970	INTEGER(iwp) :: endi !< end index
2971	INTEGER(iwp) :: ib !< loop index
2972	INTEGER(iwp) :: ic !< loop index
2973	INTEGER(iwp) :: ig !< loop index
2974	INTEGER(iwp) :: k_wall !< vertical index of topography top
2975	INTEGER(iwp) :: k !< loop index
2976	INTEGER(iwp) :: l !< loop index
2977	INTEGER(iwp) :: nc_h2o !< index of H2O in the prtcl index table
2978	INTEGER(iwp) :: ss !< loop index
2979	INTEGER(iwp) :: str !< start index
2980	INTEGER(iwp) :: vc !< default index in prtcl
2981
2982	INTEGER(iwp), INTENT(in) :: i !< loop index
2983	INTEGER(iwp), INTENT(in) :: j !< loop index
2984	INTEGER(iwp), INTENT(in) :: prunmode !< 1: Initialization, 2: Spinup, 3: Regular runtime
2985
2986	REAL(wp) :: cw_old !< previous H2O mixing ratio
2987	REAL(wp) :: flag !< flag to mask topography grid points
2988	REAL(wp) :: in_lad !< leaf area density (m2/m3)
2989	REAL(wp) :: in_rh !< relative humidity
2990	REAL(wp) :: zgso4 !< SO4
2991	REAL(wp) :: zghno3 !< HNO3
2992	REAL(wp) :: zgnh3 !< NH3
2993	REAL(wp) :: zgocnv !< non-volatile OC
2994	REAL(wp) :: zgocsv !< semi-volatile OC
2995
2996	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
2997	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cs !< H2O sat. vapour conc.
2998	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cw !< H2O vapour concentration
2999	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure (Pa)
3000	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
3001	REAL(wp), DIMENSION(nzb:nzt+1) :: in_u !< wind magnitude (m/s)
3002	REAL(wp), DIMENSION(nzb:nzt+1) :: kvis !< kinematic viscosity of air(m2/s)
3003	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor from ppm to #/m3
3004
3005	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: schmidt_num !< particle Schmidt number
3006	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: vd !< particle fall seed (m/s)
3007
3008	TYPE(t_section), DIMENSION(nbins_aerosol) :: lo_aero !< additional variable for OpenMP
3009	TYPE(t_section), DIMENSION(nbins_aerosol) :: aero_old !< helper array
3010
3011	aero_old(:)%numc = 0.0_wp
3012	in_lad = 0.0_wp
3013	in_u = 0.0_wp
3014	kvis = 0.0_wp
3015	lo_aero = aero
3016	schmidt_num = 0.0_wp
3017	vd = 0.0_wp
3018	zgso4 = nclim
3019	zghno3 = nclim
3020	zgnh3 = nclim
3021	zgocnv = nclim
3022	zgocsv = nclim
3023	!
3024	!-- Aerosol number is always set, but mass can be uninitialized
3025	DO ib = 1, nbins_aerosol
3026	lo_aero(ib)%volc(:) = 0.0_wp
3027	aero_old(ib)%volc(:) = 0.0_wp
3028	ENDDO
3029	!
3030	!-- Set the salsa runtime config (How to make this more efficient?)
3031	CALL set_salsa_runtime( prunmode )
3032	!
3033	!-- Calculate thermodynamic quantities needed in SALSA
3034	CALL salsa_thrm_ij( i, j, p_ij=in_p, temp_ij=in_t, cw_ij=in_cw, cs_ij=in_cs, adn_ij=in_adn )
3035	!
3036	!-- Magnitude of wind: needed for deposition
3037	IF ( lsdepo ) THEN
3038	in_u(nzb+1:nzt) = SQRT( ( 0.5_wp * ( u(nzb+1:nzt,j,i) + u(nzb+1:nzt,j,i+1) ) )**2 + &
3039	( 0.5_wp * ( v(nzb+1:nzt,j,i) + v(nzb+1:nzt,j+1,i) ) )**2 + &
3040	( 0.5_wp * ( w(nzb:nzt-1,j,i) + w(nzb+1:nzt,j, i) ) )**2 )
3041	ENDIF
3042	!
3043	!-- Calculate conversion factors for gas concentrations
3044	ppm_to_nconc(:) = for_ppm_to_nconc * in_p(:) / in_t(:)
3045	!
3046	!-- Determine topography-top index on scalar grid
3047	k_wall = k_topo_top(j,i)
3048
3049	DO k = nzb+1, nzt
3050	!
3051	!-- Predetermine flag to mask topography
3052	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
3053	!
3054	!-- Wind velocity for dry depositon on vegetation
3055	IF ( lsdepo_pcm .AND. plant_canopy ) THEN
3056	in_lad = lad_s( MAX( k-k_wall,0 ),j,i)
3057	ENDIF
3058	!
3059	!-- For initialization and spinup, limit the RH with the parameter rhlim
3060	IF ( prunmode < 3 ) THEN
3061	in_cw(k) = MIN( in_cw(k), in_cs(k) * rhlim )
3062	ELSE
3063	in_cw(k) = in_cw(k)
3064	ENDIF
3065	cw_old = in_cw(k) !* in_adn(k)
3066	!
3067	!-- Set volume concentrations:
3068	!-- Sulphate (SO4) or sulphuric acid H2SO4
3069	IF ( index_so4 > 0 ) THEN
3070	vc = 1
3071	str = ( index_so4-1 ) * nbins_aerosol + 1 ! start index
3072	endi = index_so4 * nbins_aerosol ! end index
3073	ic = 1
3074	DO ss = str, endi
3075	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2so4
3076	ic = ic+1
3077	ENDDO
3078	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3079	ENDIF
3080	!
3081	!-- Organic carbon (OC) compounds
3082	IF ( index_oc > 0 ) THEN
3083	vc = 2
3084	str = ( index_oc-1 ) * nbins_aerosol + 1
3085	endi = index_oc * nbins_aerosol
3086	ic = 1
3087	DO ss = str, endi
3088	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhooc
3089	ic = ic+1
3090	ENDDO
3091	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3092	ENDIF
3093	!
3094	!-- Black carbon (BC)
3095	IF ( index_bc > 0 ) THEN
3096	vc = 3
3097	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
3098	endi = index_bc * nbins_aerosol
3099	ic = 1 + end_subrange_1a
3100	DO ss = str, endi
3101	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhobc
3102	ic = ic+1
3103	ENDDO
3104	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3105	ENDIF
3106	!
3107	!-- Dust (DU)
3108	IF ( index_du > 0 ) THEN
3109	vc = 4
3110	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
3111	endi = index_du * nbins_aerosol
3112	ic = 1 + end_subrange_1a
3113	DO ss = str, endi
3114	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhodu
3115	ic = ic+1
3116	ENDDO
3117	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3118	ENDIF
3119	!
3120	!-- Sea salt (SS)
3121	IF ( index_ss > 0 ) THEN
3122	vc = 5
3123	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
3124	endi = index_ss * nbins_aerosol
3125	ic = 1 + end_subrange_1a
3126	DO ss = str, endi
3127	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoss
3128	ic = ic+1
3129	ENDDO
3130	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3131	ENDIF
3132	!
3133	!-- Nitrate (NO(3-)) or nitric acid HNO3
3134	IF ( index_no > 0 ) THEN
3135	vc = 6
3136	str = ( index_no-1 ) * nbins_aerosol + 1
3137	endi = index_no * nbins_aerosol
3138	ic = 1
3139	DO ss = str, endi
3140	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhohno3
3141	ic = ic+1
3142	ENDDO
3143	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3144	ENDIF
3145	!
3146	!-- Ammonium (NH(4+)) or ammonia NH3
3147	IF ( index_nh > 0 ) THEN
3148	vc = 7
3149	str = ( index_nh-1 ) * nbins_aerosol + 1
3150	endi = index_nh * nbins_aerosol
3151	ic = 1
3152	DO ss = str, endi
3153	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhonh3
3154	ic = ic+1
3155	ENDDO
3156	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3157	ENDIF
3158	!
3159	!-- Water (always used)
3160	nc_h2o = get_index( prtcl,'H2O' )
3161	vc = 8
3162	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3163	endi = nc_h2o * nbins_aerosol
3164	ic = 1
3165	IF ( advect_particle_water ) THEN
3166	DO ss = str, endi
3167	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2o
3168	ic = ic+1
3169	ENDDO
3170	ELSE
3171	lo_aero(1:nbins_aerosol)%volc(vc) = mclim
3172	ENDIF
3173	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3174	!
3175	!-- Number concentrations (numc) and particle sizes
3176	!-- (dwet = wet diameter, core = dry volume)
3177	DO ib = 1, nbins_aerosol
3178	lo_aero(ib)%numc = aerosol_number(ib)%conc(k,j,i)
3179	aero_old(ib)%numc = lo_aero(ib)%numc
3180	IF ( lo_aero(ib)%numc > nclim ) THEN
3181	lo_aero(ib)%dwet = ( SUM( lo_aero(ib)%volc(:) ) / lo_aero(ib)%numc / api6 )**0.33333333_wp
3182	lo_aero(ib)%core = SUM( lo_aero(ib)%volc(1:7) ) / lo_aero(ib)%numc
3183	ELSE
3184	lo_aero(ib)%dwet = lo_aero(ib)%dmid
3185	lo_aero(ib)%core = api6 * ( lo_aero(ib)%dwet )**3
3186	ENDIF
3187	ENDDO
3188	!
3189	!-- Calculate the ambient sizes of particles by equilibrating soluble fraction of particles with
3190	!-- water using the ZSR method.
3191	in_rh = in_cw(k) / in_cs(k)
3192	IF ( prunmode==1 .OR. .NOT. advect_particle_water ) THEN
3193	CALL equilibration( in_rh, in_t(k), lo_aero, .TRUE. )
3194	ENDIF
3195	!
3196	!-- Gaseous tracer concentrations in #/m3
3197	IF ( salsa_gases_from_chem ) THEN
3198	!
3199	!-- Convert concentrations in ppm to #/m3
3200	zgso4 = chem_species(gas_index_chem(1))%conc(k,j,i) * ppm_to_nconc(k)
3201	zghno3 = chem_species(gas_index_chem(2))%conc(k,j,i) * ppm_to_nconc(k)
3202	zgnh3 = chem_species(gas_index_chem(3))%conc(k,j,i) * ppm_to_nconc(k)
3203	zgocnv = chem_species(gas_index_chem(4))%conc(k,j,i) * ppm_to_nconc(k)
3204	zgocsv = chem_species(gas_index_chem(5))%conc(k,j,i) * ppm_to_nconc(k)
3205	ELSE
3206	zgso4 = salsa_gas(1)%conc(k,j,i)
3207	zghno3 = salsa_gas(2)%conc(k,j,i)
3208	zgnh3 = salsa_gas(3)%conc(k,j,i)
3209	zgocnv = salsa_gas(4)%conc(k,j,i)
3210	zgocsv = salsa_gas(5)%conc(k,j,i)
3211	ENDIF
3212	!
3213	!-- Calculate aerosol processes:
3214	!-- *********************************************************************************************
3215	!
3216	!-- Coagulation
3217	IF ( lscoag ) THEN
3218	CALL coagulation( lo_aero, dt_salsa, in_t(k), in_p(k) )
3219	ENDIF
3220	!
3221	!-- Condensation
3222	IF ( lscnd ) THEN
3223	CALL condensation( lo_aero, zgso4, zgocnv, zgocsv, zghno3, zgnh3, in_cw(k), in_cs(k), &
3224	in_t(k), in_p(k), dt_salsa, prtcl )
3225	ENDIF
3226	!
3227	!-- Deposition
3228	IF ( lsdepo ) THEN
3229	CALL deposition( lo_aero, in_t(k), in_adn(k), in_u(k), in_lad, kvis(k), schmidt_num(k,:),&
3230	vd(k,:) )
3231	ENDIF
3232	!
3233	!-- Size distribution bin update
3234	IF ( lsdistupdate ) THEN
3235	CALL distr_update( lo_aero )
3236	ENDIF
3237	!-- *********************************************************************************************
3238
3239	IF ( lsdepo ) sedim_vd(k,j,i,:) = vd(k,:)
3240	!
3241	!-- Calculate changes in concentrations
3242	DO ib = 1, nbins_aerosol
3243	aerosol_number(ib)%conc(k,j,i) = aerosol_number(ib)%conc(k,j,i) + ( lo_aero(ib)%numc - &
3244	aero_old(ib)%numc ) * flag
3245	ENDDO
3246
3247	IF ( index_so4 > 0 ) THEN
3248	vc = 1
3249	str = ( index_so4-1 ) * nbins_aerosol + 1
3250	endi = index_so4 * nbins_aerosol
3251	ic = 1
3252	DO ss = str, endi
3253	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3254	aero_old(ic)%volc(vc) ) * arhoh2so4 * flag
3255	ic = ic+1
3256	ENDDO
3257	ENDIF
3258
3259	IF ( index_oc > 0 ) THEN
3260	vc = 2
3261	str = ( index_oc-1 ) * nbins_aerosol + 1
3262	endi = index_oc * nbins_aerosol
3263	ic = 1
3264	DO ss = str, endi
3265	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3266	aero_old(ic)%volc(vc) ) * arhooc * flag
3267	ic = ic+1
3268	ENDDO
3269	ENDIF
3270
3271	IF ( index_bc > 0 ) THEN
3272	vc = 3
3273	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
3274	endi = index_bc * nbins_aerosol
3275	ic = 1 + end_subrange_1a
3276	DO ss = str, endi
3277	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3278	aero_old(ic)%volc(vc) ) * arhobc * flag
3279	ic = ic+1
3280	ENDDO
3281	ENDIF
3282
3283	IF ( index_du > 0 ) THEN
3284	vc = 4
3285	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
3286	endi = index_du * nbins_aerosol
3287	ic = 1 + end_subrange_1a
3288	DO ss = str, endi
3289	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3290	aero_old(ic)%volc(vc) ) * arhodu * flag
3291	ic = ic+1
3292	ENDDO
3293	ENDIF
3294
3295	IF ( index_ss > 0 ) THEN
3296	vc = 5
3297	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
3298	endi = index_ss * nbins_aerosol
3299	ic = 1 + end_subrange_1a
3300	DO ss = str, endi
3301	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3302	aero_old(ic)%volc(vc) ) * arhoss * flag
3303	ic = ic+1
3304	ENDDO
3305	ENDIF
3306
3307	IF ( index_no > 0 ) THEN
3308	vc = 6
3309	str = ( index_no-1 ) * nbins_aerosol + 1
3310	endi = index_no * nbins_aerosol
3311	ic = 1
3312	DO ss = str, endi
3313	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3314	aero_old(ic)%volc(vc) ) * arhohno3 * flag
3315	ic = ic+1
3316	ENDDO
3317	ENDIF
3318
3319	IF ( index_nh > 0 ) THEN
3320	vc = 7
3321	str = ( index_nh-1 ) * nbins_aerosol + 1
3322	endi = index_nh * nbins_aerosol
3323	ic = 1
3324	DO ss = str, endi
3325	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3326	aero_old(ic)%volc(vc) ) * arhonh3 * flag
3327	ic = ic+1
3328	ENDDO
3329	ENDIF
3330
3331	IF ( advect_particle_water ) THEN
3332	nc_h2o = get_index( prtcl,'H2O' )
3333	vc = 8
3334	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3335	endi = nc_h2o * nbins_aerosol
3336	ic = 1
3337	DO ss = str, endi
3338	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3339	aero_old(ic)%volc(vc) ) * arhoh2o * flag
3340	ic = ic+1
3341	ENDDO
3342	ENDIF
3343	IF ( prunmode == 1 ) THEN
3344	nc_h2o = get_index( prtcl,'H2O' )
3345	vc = 8
3346	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3347	endi = nc_h2o * nbins_aerosol
3348	ic = 1
3349	DO ss = str, endi
3350	aerosol_mass(ss)%init(k) = MAX( aerosol_mass(ss)%init(k), ( lo_aero(ic)%volc(vc) - &
3351	aero_old(ic)%volc(vc) ) * arhoh2o )
3352	IF ( k == nzb+1 ) THEN
3353	aerosol_mass(ss)%init(k-1) = aerosol_mass(ss)%init(k)
3354	ELSEIF ( k == nzt ) THEN
3355	aerosol_mass(ss)%init(k+1) = aerosol_mass(ss)%init(k)
3356	aerosol_mass(ss)%conc(k+1,j,i) = aerosol_mass(ss)%init(k)
3357	ENDIF
3358	ic = ic+1
3359	ENDDO
3360	ENDIF
3361	!
3362	!-- Condensation of precursor gases
3363	IF ( lscndgas ) THEN
3364	IF ( salsa_gases_from_chem ) THEN
3365	!
3366	!-- SO4 (or H2SO4)
3367	ig = gas_index_chem(1)
3368	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgso4 / &
3369	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3370	!
3371	!-- HNO3
3372	ig = gas_index_chem(2)
3373	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zghno3 / &
3374	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3375	!
3376	!-- NH3
3377	ig = gas_index_chem(3)
3378	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgnh3 / &
3379	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3380	!
3381	!-- non-volatile OC
3382	ig = gas_index_chem(4)
3383	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocnv / &
3384	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3385	!
3386	!-- semi-volatile OC
3387	ig = gas_index_chem(5)
3388	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocsv / &
3389	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3390
3391	ELSE
3392	!
3393	!-- SO4 (or H2SO4)
3394	salsa_gas(1)%conc(k,j,i) = salsa_gas(1)%conc(k,j,i) + ( zgso4 - &
3395	salsa_gas(1)%conc(k,j,i) ) * flag
3396	!
3397	!-- HNO3
3398	salsa_gas(2)%conc(k,j,i) = salsa_gas(2)%conc(k,j,i) + ( zghno3 - &
3399	salsa_gas(2)%conc(k,j,i) ) * flag
3400	!
3401	!-- NH3
3402	salsa_gas(3)%conc(k,j,i) = salsa_gas(3)%conc(k,j,i) + ( zgnh3 - &
3403	salsa_gas(3)%conc(k,j,i) ) * flag
3404	!
3405	!-- non-volatile OC
3406	salsa_gas(4)%conc(k,j,i) = salsa_gas(4)%conc(k,j,i) + ( zgocnv - &
3407	salsa_gas(4)%conc(k,j,i) ) * flag
3408	!
3409	!-- semi-volatile OC
3410	salsa_gas(5)%conc(k,j,i) = salsa_gas(5)%conc(k,j,i) + ( zgocsv - &
3411	salsa_gas(5)%conc(k,j,i) ) * flag
3412	ENDIF
3413	ENDIF
3414	!
3415	!-- Tendency of water vapour mixing ratio is obtained from the change in RH during SALSA run.
3416	!-- This releases heat and changes pt. Assumes no temperature change during SALSA run.
3417	!-- q = r / (1+r), Euler method for integration
3418	!
3419	IF ( feedback_to_palm ) THEN
3420	q_p(k,j,i) = q_p(k,j,i) + 1.0_wp / ( in_cw(k) * in_adn(k) + 1.0_wp )*2 &
3421	( in_cw(k) - cw_old ) * in_adn(k) * flag
3422	pt_p(k,j,i) = pt_p(k,j,i) + alv / c_p * ( in_cw(k) - cw_old ) * in_adn(k) / ( in_cw(k) / &
3423	in_adn(k) + 1.0_wp )*2 pt_p(k,j,i) / in_t(k) * flag
3424	ENDIF
3425
3426	ENDDO ! k
3427
3428	!
3429	!-- Set surfaces and wall fluxes due to deposition
3430	IF ( lsdepo .AND. lsdepo_surf .AND. prunmode == 3 ) THEN
3431	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
3432	CALL depo_surf( i, j, surf_def_h(0), vd, schmidt_num, kvis, in_u, .TRUE. )
3433	DO l = 0, 3
3434	CALL depo_surf( i, j, surf_def_v(l), vd, schmidt_num, kvis, in_u, .FALSE. )
3435	ENDDO
3436	ELSE
3437	CALL depo_surf( i, j, surf_usm_h, vd, schmidt_num, kvis, in_u, .TRUE., usm_to_depo_h )
3438	DO l = 0, 3
3439	CALL depo_surf( i, j, surf_usm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., &
3440	usm_to_depo_v(l) )
3441	ENDDO
3442	CALL depo_surf( i, j, surf_lsm_h, vd, schmidt_num, kvis, in_u, .TRUE., lsm_to_depo_h )
3443	DO l = 0, 3
3444	CALL depo_surf( i, j, surf_lsm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., &
3445	lsm_to_depo_v(l) )
3446	ENDDO
3447	ENDIF
3448	ENDIF
3449
3450	IF ( prunmode < 3 ) THEN
3451	!$OMP MASTER
3452	aero = lo_aero
3453	!$OMP END MASTER
3454	END IF
3455
3456	END SUBROUTINE salsa_driver
3457
3458	!------------------------------------------------------------------------------!
3459	! Description:
3460	! ------------
3461	!> Set logical switches according to the salsa_parameters options.
3462	!> Juha Tonttila, FMI, 2014
3463	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
3464	!------------------------------------------------------------------------------!
3465	SUBROUTINE set_salsa_runtime( prunmode )
3466
3467	IMPLICIT NONE
3468
3469	INTEGER(iwp), INTENT(in) :: prunmode
3470
3471	SELECT CASE(prunmode)
3472
3473	CASE(1) !< Initialization
3474	lscoag = .FALSE.
3475	lscnd = .FALSE.
3476	lscndgas = .FALSE.
3477	lscndh2oae = .FALSE.
3478	lsdepo = .FALSE.
3479	lsdepo_pcm = .FALSE.
3480	lsdepo_surf = .FALSE.
3481	lsdistupdate = .TRUE.
3482	lspartition = .FALSE.
3483
3484	CASE(2) !< Spinup period
3485	lscoag = ( .FALSE. .AND. nlcoag )
3486	lscnd = ( .TRUE. .AND. nlcnd )
3487	lscndgas = ( .TRUE. .AND. nlcndgas )
3488	lscndh2oae = ( .TRUE. .AND. nlcndh2oae )
3489
3490	CASE(3) !< Run
3491	lscoag = nlcoag
3492	lscnd = nlcnd
3493	lscndgas = nlcndgas
3494	lscndh2oae = nlcndh2oae
3495	lsdepo = nldepo
3496	lsdepo_pcm = nldepo_pcm
3497	lsdepo_surf = nldepo_surf
3498	lsdistupdate = nldistupdate
3499	END SELECT
3500
3501
3502	END SUBROUTINE set_salsa_runtime
3503
3504	!------------------------------------------------------------------------------!
3505	! Description:
3506	! ------------
3507	!> Calculates the absolute temperature (using hydrostatic pressure), saturation
3508	!> vapour pressure and mixing ratio over water, relative humidity and air
3509	!> density needed in the SALSA model.
3510	!> NOTE, no saturation adjustment takes place -> the resulting water vapour
3511	!> mixing ratio can be supersaturated, allowing the microphysical calculations
3512	!> in SALSA.
3513	!
3514	!> Juha Tonttila, FMI, 2014 (original SALSAthrm)
3515	!> Mona Kurppa, UHel, 2017 (adjustment for PALM and only aerosol processes)
3516	!------------------------------------------------------------------------------!
3517	SUBROUTINE salsa_thrm_ij( i, j, p_ij, temp_ij, cw_ij, cs_ij, adn_ij )
3518
3519	USE arrays_3d, &
3520	ONLY: pt, q, zu
3521
3522	USE basic_constants_and_equations_mod, &
3523	ONLY: barometric_formula, exner_function, ideal_gas_law_rho, magnus
3524
3525	IMPLICIT NONE
3526
3527	INTEGER(iwp), INTENT(in) :: i !<
3528	INTEGER(iwp), INTENT(in) :: j !<
3529
3530	REAL(wp) :: t_surface !< absolute surface temperature (K)
3531
3532	REAL(wp), DIMENSION(nzb:nzt+1) :: e_s !< saturation vapour pressure over water (Pa)
3533
3534	REAL(wp), DIMENSION(:), INTENT(inout) :: adn_ij !< air density (kg/m3)
3535	REAL(wp), DIMENSION(:), INTENT(inout) :: p_ij !< air pressure (Pa)
3536	REAL(wp), DIMENSION(:), INTENT(inout) :: temp_ij !< air temperature (K)
3537
3538	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cw_ij !< water vapour concentration (kg/m3)
3539	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cs_ij !< saturation water vap. conc.(kg/m3)
3540	!
3541	!-- Pressure p_ijk (Pa) = hydrostatic pressure
3542	t_surface = pt_surface * exner_function( surface_pressure * 100.0_wp )
3543	p_ij(:) = barometric_formula( zu, t_surface, surface_pressure * 100.0_wp )
3544	!
3545	!-- Absolute ambient temperature (K)
3546	temp_ij(:) = pt(:,j,i) * exner_function( p_ij(:) )
3547	!
3548	!-- Air density
3549	adn_ij(:) = ideal_gas_law_rho( p_ij(:), temp_ij(:) )
3550	!
3551	!-- Water vapour concentration r_v (kg/m3)
3552	IF ( PRESENT( cw_ij ) ) THEN
3553	cw_ij(:) = ( q(:,j,i) / ( 1.0_wp - q(:,j,i) ) ) * adn_ij(:)
3554	ENDIF
3555	!
3556	!-- Saturation mixing ratio r_s (kg/kg) from vapour pressure at temp (Pa)
3557	IF ( PRESENT( cs_ij ) ) THEN
3558	e_s(:) = 611.0_wp * EXP( alv_d_rv * ( 3.6609E-3_wp - 1.0_wp / &
3559	temp_ij(:) ) )! magnus( temp_ij(:) )
3560	cs_ij(:) = ( 0.622_wp * e_s / ( p_ij(:) - e_s(:) ) ) * adn_ij(:)
3561	ENDIF
3562
3563	END SUBROUTINE salsa_thrm_ij
3564
3565	!------------------------------------------------------------------------------!
3566	! Description:
3567	! ------------
3568	!> Calculates ambient sizes of particles by equilibrating soluble fraction of
3569	!> particles with water using the ZSR method (Stokes and Robinson, 1966).
3570	!> Method:
3571	!> Following chemical components are assumed water-soluble
3572	!> - (ammonium) sulphate (100%)
3573	!> - sea salt (100 %)
3574	!> - organic carbon (epsoc * 100%)
3575	!> Exact thermodynamic considerations neglected.
3576	!> - If particles contain no sea salt, calculation according to sulphate
3577	!> properties
3578	!> - If contain sea salt but no sulphate, calculation according to sea salt
3579	!> properties
3580	!> - If contain both sulphate and sea salt -> the molar fraction of these
3581	!> compounds determines which one of them is used as the basis of calculation.
3582	!> If sulphate and sea salt coexist in a particle, it is assumed that the Cl is
3583	!> replaced by sulphate; thus only either sulphate + organics or sea salt +
3584	!> organics is included in the calculation of soluble fraction.
3585	!> Molality parameterizations taken from Table 1 of Tang: Thermodynamic and
3586	!> optical properties of mixed-salt aerosols of atmospheric importance,
3587	!> J. Geophys. Res., 102 (D2), 1883-1893 (1997)
3588	!
3589	!> Coded by:
3590	!> Hannele Korhonen (FMI) 2005
3591	!> Harri Kokkola (FMI) 2006
3592	!> Matti Niskanen(FMI) 2012
3593	!> Anton Laakso (FMI) 2013
3594	!> Modified for the new aerosol datatype, Juha Tonttila (FMI) 2014
3595	!
3596	!> fxm: should sea salt form a solid particle when prh is very low (even though
3597	!> it could be mixed with e.g. sulphate)?
3598	!> fxm: crashes if no sulphate or sea salt
3599	!> fxm: do we really need to consider Kelvin effect for subrange 2
3600	!------------------------------------------------------------------------------!
3601	SUBROUTINE equilibration( prh, ptemp, paero, init )
3602
3603	IMPLICIT NONE
3604
3605	INTEGER(iwp) :: ib !< loop index
3606	INTEGER(iwp) :: counti !< loop index
3607
3608	LOGICAL, INTENT(in) :: init !< TRUE: Initialization, FALSE: Normal runtime: update water
3609	!< content only for 1a
3610
3611	REAL(wp) :: zaw !< water activity [0-1]
3612	REAL(wp) :: zcore !< Volume of dry particle
3613	REAL(wp) :: zdold !< Old diameter
3614	REAL(wp) :: zdwet !< Wet diameter or mean droplet diameter
3615	REAL(wp) :: zke !< Kelvin term in the KÃ¶hler equation
3616	REAL(wp) :: zlwc !< liquid water content [kg/m3-air]
3617	REAL(wp) :: zrh !< Relative humidity
3618
3619	REAL(wp), DIMENSION(maxspec) :: zbinmol !< binary molality of each components (mol/kg)
3620	REAL(wp), DIMENSION(maxspec) :: zvpart !< volume of chem. compounds in one particle
3621
3622	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
3623	REAL(wp), INTENT(in) :: ptemp !< temperature (K)
3624
3625	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3626
3627	zaw = 0.0_wp
3628	zlwc = 0.0_wp
3629	!
3630	!-- Relative humidity:
3631	zrh = prh
3632	zrh = MAX( zrh, 0.05_wp )
3633	zrh = MIN( zrh, 0.98_wp)
3634	!
3635	!-- 1) Regime 1: sulphate and partly water-soluble OC. Done for every CALL
3636	DO ib = start_subrange_1a, end_subrange_1a ! size bin
3637
3638	zbinmol = 0.0_wp
3639	zdold = 1.0_wp
3640	zke = 1.02_wp
3641
3642	IF ( paero(ib)%numc > nclim ) THEN
3643	!
3644	!-- Volume in one particle
3645	zvpart = 0.0_wp
3646	zvpart(1:2) = paero(ib)%volc(1:2) / paero(ib)%numc
3647	zvpart(6:7) = paero(ib)%volc(6:7) / paero(ib)%numc
3648	!
3649	!-- Total volume and wet diameter of one dry particle
3650	zcore = SUM( zvpart(1:2) )
3651	zdwet = paero(ib)%dwet
3652
3653	counti = 0
3654	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-2_wp )
3655
3656	zdold = MAX( zdwet, 1.0E-20_wp )
3657	zaw = MAX( 1.0E-3_wp, zrh / zke ) ! To avoid underflow
3658	!
3659	!-- Binary molalities (mol/kg):
3660	!-- Sulphate
3661	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3662	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3663	!-- Organic carbon
3664	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3665	!-- Nitric acid
3666	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - 6.210577919E+1_wp * zaw**2 &
3667	+ 5.510176187E+2_wp * zaw*3 - 1.460055286E+3_wp zaw**4 &
3668	+ 1.894467542E+3_wp * zaw*5 - 1.220611402E+3_wp zaw**6 &
3669	+ 3.098597737E+2_wp * zaw**7
3670	!
3671	!-- Calculate the liquid water content (kg/m3-air) using ZSR (see e.g. Eq. 10.98 in
3672	!-- Seinfeld and Pandis (2006))
3673	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3674	epsoc * paero(ib)%volc(2) * ( arhooc / amoc ) / zbinmol(2) + &
3675	( paero(ib)%volc(6) * ( arhohno3/amhno3 ) ) / zbinmol(6)
3676	!
3677	!-- Particle wet diameter (m)
3678	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3679	zcore / api6 )**0.33333333_wp
3680	!
3681	!-- Kelvin effect (Eq. 10.85 in in Seinfeld and Pandis (2006)). Avoid
3682	!-- overflow.
3683	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * ptemp * zdwet ) ) )
3684
3685	counti = counti + 1
3686	IF ( counti > 1000 ) THEN
3687	message_string = 'Subrange 1: no convergence!'
3688	CALL message( 'salsa_mod: equilibration', 'PA0617', 1, 2, 0, 6, 0 )
3689	ENDIF
3690	ENDDO
3691	!
3692	!-- Instead of lwc, use the volume concentration of water from now on
3693	!-- (easy to convert...)
3694	paero(ib)%volc(8) = zlwc / arhoh2o
3695	!
3696	!-- If this is initialization, update the core and wet diameter
3697	IF ( init ) THEN
3698	paero(ib)%dwet = zdwet
3699	paero(ib)%core = zcore
3700	ENDIF
3701
3702	ELSE
3703	!-- If initialization
3704	!-- 1.2) empty bins given bin average values
3705	IF ( init ) THEN
3706	paero(ib)%dwet = paero(ib)%dmid
3707	paero(ib)%core = api6 * paero(ib)%dmid**3
3708	ENDIF
3709
3710	ENDIF
3711
3712	ENDDO ! ib
3713	!
3714	!-- 2) Regime 2a: sulphate, OC, BC and sea salt
3715	!-- This is done only for initialization call, otherwise the water contents
3716	!-- are computed via condensation
3717	IF ( init ) THEN
3718	DO ib = start_subrange_2a, end_subrange_2b
3719	!
3720	!-- Initialize
3721	zke = 1.02_wp
3722	zbinmol = 0.0_wp
3723	zdold = 1.0_wp
3724	!
3725	!-- 1) Particle properties calculated for non-empty bins
3726	IF ( paero(ib)%numc > nclim ) THEN
3727	!
3728	!-- Volume in one particle [fxm]
3729	zvpart = 0.0_wp
3730	zvpart(1:7) = paero(ib)%volc(1:7) / paero(ib)%numc
3731	!
3732	!-- Total volume and wet diameter of one dry particle [fxm]
3733	zcore = SUM( zvpart(1:5) )
3734	zdwet = paero(ib)%dwet
3735
3736	counti = 0
3737	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-12_wp )
3738
3739	zdold = MAX( zdwet, 1.0E-20_wp )
3740	zaw = zrh / zke
3741	!
3742	!-- Binary molalities (mol/kg):
3743	!-- Sulphate
3744	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3745	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3746	!-- Organic carbon
3747	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3748	!-- Nitric acid
3749	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - &
3750	6.210577919E+1_wp * zaw*2 + 5.510176187E+2_wp zaw**3 - &
3751	1.460055286E+3_wp * zaw*4 + 1.894467542E+3_wp zaw**5 - &
3752	1.220611402E+3_wp * zaw*6 + 3.098597737E+2_wp zaw**7
3753	!-- Sea salt (natrium chloride)
3754	zbinmol(5) = 5.875248E+1_wp - 1.8781997E+2_wp * zaw + 2.7211377E+2_wp * zaw**2 - &
3755	1.8458287E+2_wp * zaw*3 + 4.153689E+1_wp zaw**4
3756	!
3757	!-- Calculate the liquid water content (kg/m3-air)
3758	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3759	epsoc * ( paero(ib)%volc(2) * ( arhooc / amoc ) ) / zbinmol(2) + &
3760	( paero(ib)%volc(6) * ( arhohno3 / amhno3 ) ) / zbinmol(6) + &
3761	( paero(ib)%volc(5) * ( arhoss / amss ) ) / zbinmol(5)
3762
3763	!-- Particle wet radius (m)
3764	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3765	zcore / api6 )**0.33333333_wp
3766	!
3767	!-- Kelvin effect (Eq. 10.85 in Seinfeld and Pandis (2006))
3768	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * zdwet * ptemp ) ) )
3769
3770	counti = counti + 1
3771	IF ( counti > 1000 ) THEN
3772	message_string = 'Subrange 2: no convergence!'
3773	CALL message( 'salsa_mod: equilibration', 'PA0618', 1, 2, 0, 6, 0 )
3774	ENDIF
3775	ENDDO
3776	!
3777	!-- Liquid water content; instead of LWC use the volume concentration
3778	paero(ib)%volc(8) = zlwc / arhoh2o
3779	paero(ib)%dwet = zdwet
3780	paero(ib)%core = zcore
3781
3782	ELSE
3783	!-- 2.2) empty bins given bin average values
3784	paero(ib)%dwet = paero(ib)%dmid
3785	paero(ib)%core = api6 * paero(ib)%dmid**3
3786	ENDIF
3787
3788	ENDDO ! ib
3789	ENDIF
3790
3791	END SUBROUTINE equilibration
3792
3793	!------------------------------------------------------------------------------!
3794	!> Description:
3795	!> ------------
3796	!> Calculation of the settling velocity vc (m/s) per aerosol size bin and
3797	!> deposition on plant canopy (lsdepo_pcm).
3798	!
3799	!> Deposition is based on either the scheme presented in:
3800	!> Zhang et al. (2001), Atmos. Environ. 35, 549-560 (includes collection due to
3801	!> Brownian diffusion, impaction, interception and sedimentation; hereafter ZO1)
3802	!> OR
3803	!> Petroff & Zhang (2010), Geosci. Model Dev. 3, 753-769 (includes also
3804	!> collection due to turbulent impaction, hereafter P10)
3805	!
3806	!> Equation numbers refer to equation in Jacobson (2005): Fundamentals of
3807	!> Atmospheric Modeling, 2nd Edition.
3808	!
3809	!> Subroutine follows closely sedim_SALSA in UCLALES-SALSA written by Juha
3810	!> Tonttila (KIT/FMI) and Zubair Maalick (UEF).
3811	!> Rewritten to PALM by Mona Kurppa (UH), 2017.
3812	!
3813	!> Call for grid point i,j,k
3814	!------------------------------------------------------------------------------!
3815
3816	SUBROUTINE deposition( paero, tk, adn, mag_u, lad, kvis, schmidt_num, vc )
3817
3818	USE plant_canopy_model_mod, &
3819	ONLY: cdc
3820
3821	IMPLICIT NONE
3822
3823	INTEGER(iwp) :: ib !< loop index
3824	INTEGER(iwp) :: ic !< loop index
3825
3826	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3827	REAL(wp) :: avis !< molecular viscocity of air (kg/(m*s))
3828	REAL(wp) :: beta_im !< parameter for turbulent impaction
3829	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3830	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3831	REAL(wp) :: c_interception !< coefficient for interception
3832	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3833	REAL(wp) :: depo !< deposition velocity (m/s)
3834	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3835	REAL(wp) :: lambda !< molecular mean free path (m)
3836	REAL(wp) :: mdiff !< particle diffusivity coefficient
3837	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3838	!< Table 3 in Z01
3839	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3840	REAL(wp) :: pdn !< particle density (kg/m3)
3841	REAL(wp) :: ustar !< friction velocity (m/s)
3842	REAL(wp) :: va !< thermal speed of an air molecule (m/s)
3843
3844	REAL(wp), INTENT(in) :: adn !< air density (kg/m3)
3845	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3846	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3847	REAL(wp), INTENT(in) :: tk !< abs.temperature (K)
3848
3849	REAL(wp), INTENT(inout) :: kvis !< kinematic viscosity of air (m2/s)
3850
3851	REAL(wp), DIMENSION(nbins_aerosol) :: beta !< Cunningham slip-flow correction factor
3852	REAL(wp), DIMENSION(nbins_aerosol) :: Kn !< Knudsen number
3853	REAL(wp), DIMENSION(nbins_aerosol) :: zdwet !< wet diameter (m)
3854
3855	REAL(wp), DIMENSION(:), INTENT(inout) :: schmidt_num !< particle Schmidt number
3856	REAL(wp), DIMENSION(:), INTENT(inout) :: vc !< critical fall speed i.e. settling velocity of
3857	!< an aerosol particle (m/s)
3858
3859	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3860	!
3861	!-- Initialise
3862	depo = 0.0_wp
3863	pdn = 1500.0_wp ! default value
3864	ustar = 0.0_wp
3865	!
3866	!-- Molecular viscosity of air (Eq. 4.54)
3867	avis = 1.8325E-5_wp * ( 416.16_wp / ( tk + 120.0_wp ) ) * ( tk / 296.16_wp )**1.5_wp
3868	!
3869	!-- Kinematic viscosity (Eq. 4.55)
3870	kvis = avis / adn
3871	!
3872	!-- Thermal velocity of an air molecule (Eq. 15.32)
3873	va = SQRT( 8.0_wp * abo * tk / ( pi * am_airmol ) )
3874	!
3875	!-- Mean free path (m) (Eq. 15.24)
3876	lambda = 2.0_wp * avis / ( adn * va )
3877	!
3878	!-- Particle wet diameter (m)
3879	zdwet = paero(:)%dwet
3880	!
3881	!-- Knudsen number (Eq. 15.23)
3882	Kn = MAX( 1.0E-2_wp, lambda / ( zdwet * 0.5_wp ) ) ! To avoid underflow
3883	!
3884	!-- Cunningham slip-flow correction (Eq. 15.30)
3885	beta = 1.0_wp + Kn * ( 1.249_wp + 0.42_wp * EXP( -0.87_wp / Kn ) )
3886	!
3887	!-- Critical fall speed i.e. settling velocity (Eq. 20.4)
3888	vc = MIN( 1.0_wp, zdwet*2 ( pdn - adn ) * g * beta / ( 18.0_wp * avis ) )
3889	!
3890	!-- Deposition on vegetation
3891	IF ( lsdepo_pcm .AND. plant_canopy .AND. lad > 0.0_wp ) THEN
3892	!
3893	!-- Parameters for the land use category 'deciduous broadleaf trees'(Table 3)
3894	alpha = alpha_z01(depo_pcm_type_num)
3895	gamma = gamma_z01(depo_pcm_type_num)
3896	par_a = A_z01(depo_pcm_type_num, season_z01) * 1.0E-3_wp
3897	!
3898	!-- Deposition efficiencies from Table 1. Constants from Table 2.
3899	par_l = l_p10(depo_pcm_type_num) * 0.01_wp
3900	c_brownian_diff = c_b_p10(depo_pcm_type_num)
3901	c_interception = c_in_p10(depo_pcm_type_num)
3902	c_impaction = c_im_p10(depo_pcm_type_num)
3903	beta_im = beta_im_p10(depo_pcm_type_num)
3904	c_turb_impaction = c_it_p10(depo_pcm_type_num)
3905
3906	DO ib = 1, nbins_aerosol
3907
3908	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
3909
3910	!-- Particle diffusivity coefficient (Eq. 15.29)
3911	mdiff = ( abo * tk * beta(ib) ) / ( 3.0_wp * pi * avis * zdwet(ib) )
3912	!
3913	!-- Particle Schmidt number (Eq. 15.36)
3914	schmidt_num(ib) = kvis / mdiff
3915	!
3916	!-- Friction velocity for deposition on vegetation. Calculated following Prandtl (1925):
3917	ustar = SQRT( cdc ) * mag_u
3918	SELECT CASE ( depo_pcm_par_num )
3919
3920	CASE ( 1 ) ! Zhang et al. (2001)
3921	CALL depo_vel_Z01( vc(ib), ustar, schmidt_num(ib), paero(ib)%dwet, alpha, gamma, &
3922	par_a, depo )
3923	CASE ( 2 ) ! Petroff & Zhang (2010)
3924	CALL depo_vel_P10( vc(ib), mag_u, ustar, kvis, schmidt_num(ib), paero(ib)%dwet, &
3925	par_l, c_brownian_diff, c_interception, c_impaction, beta_im, &
3926	c_turb_impaction, depo )
3927	END SELECT
3928	!
3929	!-- Calculate the change in concentrations
3930	paero(ib)%numc = paero(ib)%numc - depo * lad * paero(ib)%numc * dt_salsa
3931	DO ic = 1, maxspec+1
3932	paero(ib)%volc(ic) = paero(ib)%volc(ic) - depo * lad * paero(ib)%volc(ic) * dt_salsa
3933	ENDDO
3934	ENDDO
3935
3936	ENDIF
3937
3938	END SUBROUTINE deposition
3939
3940	!------------------------------------------------------------------------------!
3941	! Description:
3942	! ------------
3943	!> Calculate deposition velocity (m/s) based on Zhan et al. (2001, case 1).
3944	!------------------------------------------------------------------------------!
3945
3946	SUBROUTINE depo_vel_Z01( vc, ustar, schmidt_num, diameter, alpha, gamma, par_a, depo )
3947
3948	IMPLICIT NONE
3949
3950	REAL(wp) :: rs !< overall quasi-laminar resistance for particles
3951	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3952
3953	REAL(wp), INTENT(in) :: alpha !< parameter, Table 3 in Z01
3954	REAL(wp), INTENT(in) :: gamma !< parameter, Table 3 in Z01
3955	REAL(wp), INTENT(in) :: par_a !< parameter A for the characteristic diameter of
3956	!< collectors, Table 3 in Z01
3957	REAL(wp), INTENT(in) :: diameter !< particle diameter
3958	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
3959	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
3960	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
3961
3962	REAL(wp), INTENT(inout) :: depo !< deposition efficiency (m/s)
3963
3964	IF ( par_a > 0.0_wp ) THEN
3965	!
3966	!-- Initialise
3967	rs = 0.0_wp
3968	!
3969	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3970	stokes_num = vc * ustar / ( g * par_a )
3971	!
3972	!-- The overall quasi-laminar resistance for particles (Zhang et al., Eq. 5)
3973	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * ustar * EXP( -stokes_num*0.5_wp ) &
3974	( schmidt_num( -gamma ) + ( stokes_num / ( alpha + stokes_num ) )2 + &
3975	0.5_wp * ( diameter / par_a )**2 ) ) )
3976
3977	depo = rs + vc
3978
3979	ELSE
3980	depo = 0.0_wp
3981	ENDIF
3982
3983	END SUBROUTINE depo_vel_Z01
3984
3985	!------------------------------------------------------------------------------!
3986	! Description:
3987	! ------------
3988	!> Calculate deposition velocity (m/s) based on Petroff & Zhang (2010, case 2).
3989	!------------------------------------------------------------------------------!
3990
3991	SUBROUTINE depo_vel_P10( vc, mag_u, ustar, kvis_a, schmidt_num, diameter, par_l, c_brownian_diff, &
3992	c_interception, c_impaction, beta_im, c_turb_impaction, depo )
3993
3994	IMPLICIT NONE
3995
3996	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3997	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3998	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3999	REAL(wp) :: v_im !< deposition velocity due to impaction
4000	REAL(wp) :: v_in !< deposition velocity due to interception
4001	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
4002
4003	REAL(wp), INTENT(in) :: beta_im !< parameter for turbulent impaction
4004	REAL(wp), INTENT(in) :: c_brownian_diff !< coefficient for Brownian diffusion
4005	REAL(wp), INTENT(in) :: c_impaction !< coefficient for inertial impaction
4006	REAL(wp), INTENT(in) :: c_interception !< coefficient for interception
4007	REAL(wp), INTENT(in) :: c_turb_impaction !< coefficient for turbulent impaction
4008	REAL(wp), INTENT(in) :: kvis_a !< kinematic viscosity of air (m2/s)
4009	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
4010	REAL(wp), INTENT(in) :: par_l !< obstacle characteristic dimension in P10
4011	REAL(wp), INTENT(in) :: diameter !< particle diameter
4012	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
4013	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
4014	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
4015
4016	REAL(wp), INTENT(inout) :: depo !< deposition efficiency (m/s)
4017
4018	IF ( par_l > 0.0_wp ) THEN
4019	!
4020	!-- Initialise
4021	tau_plus = 0.0_wp
4022	v_bd = 0.0_wp
4023	v_im = 0.0_wp
4024	v_in = 0.0_wp
4025	v_it = 0.0_wp
4026	!
4027	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
4028	stokes_num = vc * ustar / ( g * par_l )
4029	!
4030	!-- Non-dimensional relexation time of the particle on top of canopy
4031	tau_plus = vc * ustar*2 / ( kvis_a g )
4032	!
4033	!-- Brownian diffusion
4034	v_bd = mag_u * c_brownian_diff * schmidt_num*( -0.66666666_wp ) &
4035	( mag_u * par_l / kvis_a )**( -0.5_wp )
4036	!
4037	!-- Interception
4038	v_in = mag_u * c_interception * diameter / par_l * &
4039	( 2.0_wp + LOG( 2.0_wp * par_l / diameter ) )
4040	!
4041	!-- Impaction: Petroff (2009) Eq. 18
4042	v_im = mag_u * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
4043	!
4044	!-- Turbulent impaction
4045	IF ( tau_plus < 20.0_wp ) THEN
4046	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
4047	ELSE
4048	v_it = c_turb_impaction
4049	ENDIF
4050
4051	depo = ( v_bd + v_in + v_im + v_it + vc )
4052
4053	ELSE
4054	depo = 0.0_wp
4055	ENDIF
4056
4057	END SUBROUTINE depo_vel_P10
4058
4059	!------------------------------------------------------------------------------!
4060	! Description:
4061	! ------------
4062	!> Calculate the dry deposition on horizontal and vertical surfaces. Implement
4063	!> as a surface flux.
4064	!> @todo aerodynamic resistance ignored for now (not important for
4065	! high-resolution simulations)
4066	!------------------------------------------------------------------------------!
4067	SUBROUTINE depo_surf( i, j, surf, vc, schmidt_num, kvis, mag_u, norm, match_array )
4068
4069	USE arrays_3d, &
4070	ONLY: rho_air_zw
4071
4072	USE surface_mod, &
4073	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
4074
4075	IMPLICIT NONE
4076
4077	INTEGER(iwp) :: ib !< loop index
4078	INTEGER(iwp) :: ic !< loop index
4079	INTEGER(iwp) :: icc !< additional loop index
4080	INTEGER(iwp) :: k !< loop index
4081	INTEGER(iwp) :: m !< loop index
4082	INTEGER(iwp) :: surf_e !< End index of surface elements at (j,i)-gridpoint
4083	INTEGER(iwp) :: surf_s !< Start index of surface elements at (j,i)-gridpoint
4084
4085	INTEGER(iwp), INTENT(in) :: i !< loop index
4086	INTEGER(iwp), INTENT(in) :: j !< loop index
4087
4088	LOGICAL, INTENT(in) :: norm !< to normalise or not
4089
4090	REAL(wp) :: alpha !< parameter, Table 3 in Z01
4091	REAL(wp) :: beta_im !< parameter for turbulent impaction
4092	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
4093	REAL(wp) :: c_impaction !< coefficient for inertial impaction
4094	REAL(wp) :: c_interception !< coefficient for interception
4095	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
4096	REAL(wp) :: gamma !< parameter, Table 3 in Z01
4097	REAL(wp) :: norm_fac !< normalisation factor (usually air density)
4098	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
4099	!< Table 3 in Z01
4100	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
4101	REAL(wp) :: rs !< the overall quasi-laminar resistance for particles
4102	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
4103	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
4104	REAL(wp) :: v_im !< deposition velocity due to impaction
4105	REAL(wp) :: v_in !< deposition velocity due to interception
4106	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
4107
4108	REAL(wp), DIMENSION(nbins_aerosol) :: depo !< deposition efficiency
4109	REAL(wp), DIMENSION(nbins_aerosol) :: depo_sum !< sum of deposition efficiencies
4110
4111	REAL(wp), DIMENSION(:), INTENT(in) :: kvis !< kinematic viscosity of air (m2/s)
4112	REAL(wp), DIMENSION(:), INTENT(in) :: mag_u !< wind velocity (m/s)
4113
4114	REAL(wp), DIMENSION(:,:), INTENT(in) :: schmidt_num !< particle Schmidt number
4115	REAL(wp), DIMENSION(:,:), INTENT(in) :: vc !< terminal velocity (m/s)
4116
4117	TYPE(match_surface), INTENT(in), OPTIONAL :: match_array !< match the deposition module and
4118	!< LSM/USM surfaces
4119	TYPE(surf_type), INTENT(inout) :: surf !< respective surface type
4120	!
4121	!-- Initialise
4122	depo = 0.0_wp
4123	depo_sum = 0.0_wp
4124	rs = 0.0_wp
4125	surf_s = surf%start_index(j,i)
4126	surf_e = surf%end_index(j,i)
4127	tau_plus = 0.0_wp
4128	v_bd = 0.0_wp
4129	v_im = 0.0_wp
4130	v_in = 0.0_wp
4131	v_it = 0.0_wp
4132	!
4133	!-- Model parameters for the land use category. If LSM or USM is applied, import
4134	!-- characteristics. Otherwise, apply surface type "urban".
4135	alpha = alpha_z01(luc_urban)
4136	gamma = gamma_z01(luc_urban)
4137	par_a = A_z01(luc_urban, season_z01) * 1.0E-3_wp
4138
4139	par_l = l_p10(luc_urban) * 0.01_wp
4140	c_brownian_diff = c_b_p10(luc_urban)
4141	c_interception = c_in_p10(luc_urban)
4142	c_impaction = c_im_p10(luc_urban)
4143	beta_im = beta_im_p10(luc_urban)
4144	c_turb_impaction = c_it_p10(luc_urban)
4145
4146
4147	IF ( PRESENT( match_array ) ) THEN ! land or urban surface model
4148
4149	DO m = surf_s, surf_e
4150
4151	k = surf%k(m)
4152	norm_fac = 1.0_wp
4153
4154	IF ( norm ) norm_fac = rho_air_zw(k) ! normalise vertical fluxes by air density
4155
4156	IF ( match_array%match_lupg(m) > 0 ) THEN
4157	alpha = alpha_z01( match_array%match_lupg(m) )
4158	gamma = gamma_z01( match_array%match_lupg(m) )
4159	par_a = A_z01( match_array%match_lupg(m), season_z01 ) * 1.0E-3_wp
4160
4161	beta_im = beta_im_p10( match_array%match_lupg(m) )
4162	c_brownian_diff = c_b_p10( match_array%match_lupg(m) )
4163	c_impaction = c_im_p10( match_array%match_lupg(m) )
4164	c_interception = c_in_p10( match_array%match_lupg(m) )
4165	c_turb_impaction = c_it_p10( match_array%match_lupg(m) )
4166	par_l = l_p10( match_array%match_lupg(m) ) * 0.01_wp
4167
4168	DO ib = 1, nbins_aerosol
4169	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4170	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4171
4172	SELECT CASE ( depo_surf_par_num )
4173
4174	CASE ( 1 )
4175	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4176	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4177	CASE ( 2 )
4178	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4179	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4180	c_brownian_diff, c_interception, c_impaction, beta_im, &
4181	c_turb_impaction, depo(ib) )
4182	END SELECT
4183	ENDDO
4184	depo_sum = depo_sum + surf%frac(ind_pav_green,m) * depo
4185	ENDIF
4186
4187	IF ( match_array%match_luvw(m) > 0 ) THEN
4188	alpha = alpha_z01( match_array%match_luvw(m) )
4189	gamma = gamma_z01( match_array%match_luvw(m) )
4190	par_a = A_z01( match_array%match_luvw(m), season_z01 ) * 1.0E-3_wp
4191
4192	beta_im = beta_im_p10( match_array%match_luvw(m) )
4193	c_brownian_diff = c_b_p10( match_array%match_luvw(m) )
4194	c_impaction = c_im_p10( match_array%match_luvw(m) )
4195	c_interception = c_in_p10( match_array%match_luvw(m) )
4196	c_turb_impaction = c_it_p10( match_array%match_luvw(m) )
4197	par_l = l_p10( match_array%match_luvw(m) ) * 0.01_wp
4198
4199	DO ib = 1, nbins_aerosol
4200	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4201	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4202
4203	SELECT CASE ( depo_surf_par_num )
4204
4205	CASE ( 1 )
4206	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4207	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4208	CASE ( 2 )
4209	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4210	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4211	c_brownian_diff, c_interception, c_impaction, beta_im, &
4212	c_turb_impaction, depo(ib) )
4213	END SELECT
4214	ENDDO
4215	depo_sum = depo_sum + surf%frac(ind_veg_wall,m) * depo
4216	ENDIF
4217
4218	IF ( match_array%match_luww(m) > 0 ) THEN
4219	alpha = alpha_z01( match_array%match_luww(m) )
4220	gamma = gamma_z01( match_array%match_luww(m) )
4221	par_a = A_z01( match_array%match_luww(m), season_z01 ) * 1.0E-3_wp
4222
4223	beta_im = beta_im_p10( match_array%match_luww(m) )
4224	c_brownian_diff = c_b_p10( match_array%match_luww(m) )
4225	c_impaction = c_im_p10( match_array%match_luww(m) )
4226	c_interception = c_in_p10( match_array%match_luww(m) )
4227	c_turb_impaction = c_it_p10( match_array%match_luww(m) )
4228	par_l = l_p10( match_array%match_luww(m) ) * 0.01_wp
4229
4230	DO ib = 1, nbins_aerosol
4231	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4232	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4233
4234	SELECT CASE ( depo_surf_par_num )
4235
4236	CASE ( 1 )
4237	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4238	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4239	CASE ( 2 )
4240	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4241	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4242	c_brownian_diff, c_interception, c_impaction, beta_im, &
4243	c_turb_impaction, depo(ib) )
4244	END SELECT
4245	ENDDO
4246	depo_sum = depo_sum + surf%frac(ind_wat_win,m) * depo
4247	ENDIF
4248
4249	DO ib = 1, nbins_aerosol
4250	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) ) CYCLE
4251	!
4252	!-- Calculate changes in surface fluxes due to dry deposition
4253	IF ( include_emission ) THEN
4254	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - MAX( 0.0_wp, &
4255	depo_sum(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i) )
4256	DO ic = 1, ncomponents_mass
4257	icc = ( ic - 1 ) * nbins_aerosol + ib
4258	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - MAX( 0.0_wp, &
4259	depo_sum(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
4260	ENDDO ! ic
4261	ELSE
4262	surf%answs(m,ib) = -depo_sum(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i)
4263	DO ic = 1, ncomponents_mass
4264	icc = ( ic - 1 ) * nbins_aerosol + ib
4265	surf%amsws(m,icc) = -depo_sum(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i)
4266	ENDDO ! ic
4267	ENDIF
4268	ENDDO ! ib
4269
4270	ENDDO
4271
4272	ELSE ! default surfaces
4273
4274	DO m = surf_s, surf_e
4275
4276	k = surf%k(m)
4277	norm_fac = 1.0_wp
4278
4279	IF ( norm ) norm_fac = rho_air_zw(k) ! normalise vertical fluxes by air density
4280
4281	DO ib = 1, nbins_aerosol
4282	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4283	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4284
4285	SELECT CASE ( depo_surf_par_num )
4286
4287	CASE ( 1 )
4288	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4289	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4290	CASE ( 2 )
4291	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4292	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4293	c_brownian_diff, c_interception, c_impaction, beta_im, &
4294	c_turb_impaction, depo(ib) )
4295	END SELECT
4296	!
4297	!-- Calculate changes in surface fluxes due to dry deposition
4298	IF ( include_emission ) THEN
4299	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - MAX( 0.0_wp, &
4300	depo(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i) )
4301	DO ic = 1, ncomponents_mass
4302	icc = ( ic - 1 ) * nbins_aerosol + ib
4303	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - MAX( 0.0_wp, &
4304	depo(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
4305	ENDDO ! ic
4306	ELSE
4307	surf%answs(m,ib) = -depo(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i)
4308	DO ic = 1, ncomponents_mass
4309	icc = ( ic - 1 ) * nbins_aerosol + ib
4310	surf%amsws(m,icc) = -depo(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i)
4311	ENDDO ! ic
4312	ENDIF
4313	ENDDO ! ib
4314	ENDDO
4315
4316	ENDIF
4317
4318	END SUBROUTINE depo_surf
4319
4320	!------------------------------------------------------------------------------!
4321	! Description:
4322	! ------------
4323	!> Calculates particle loss and change in size distribution due to (Brownian)
4324	!> coagulation. Only for particles with dwet < 30 micrometres.
4325	!
4326	!> Method:
4327	!> Semi-implicit, non-iterative method: (Jacobson, 1994)
4328	!> Volume concentrations of the smaller colliding particles added to the bin of
4329	!> the larger colliding particles. Start from first bin and use the updated
4330	!> number and volume for calculation of following bins. NB! Our bin numbering
4331	!> does not follow particle size in subrange 2.
4332	!
4333	!> Schematic for bin numbers in different subranges:
4334	!> 1 2
4335	!> +-------------------------------------------+
4336	!> a \| 1 \| 2 \| 3 \|\| 4 \| 5 \| 6 \| 7 \| 8 \| 9 \| 10\|\|
4337	!> b \| \|\|11 \|12 \|13 \|14 \| 15 \| 16 \| 17\|\|
4338	!> +-------------------------------------------+
4339	!
4340	!> Exact coagulation coefficients for each pressure level are scaled according
4341	!> to current particle wet size (linear scaling).
4342	!> Bins are organized in terms of the dry size of the condensation nucleus,
4343	!> while coagulation kernell is calculated with the actual hydrometeor
4344	!> size.
4345	!
4346	!> Called from salsa_driver
4347	!> fxm: Process selection should be made smarter - now just lots of IFs inside
4348	!> loops
4349	!
4350	!> Coded by:
4351	!> Hannele Korhonen (FMI) 2005
4352	!> Harri Kokkola (FMI) 2006
4353	!> Tommi Bergman (FMI) 2012
4354	!> Matti Niskanen(FMI) 2012
4355	!> Anton Laakso (FMI) 2013
4356	!> Juha Tonttila (FMI) 2014
4357	!------------------------------------------------------------------------------!
4358	SUBROUTINE coagulation( paero, ptstep, ptemp, ppres )
4359
4360	IMPLICIT NONE
4361
4362	INTEGER(iwp) :: index_2a !< corresponding bin in subrange 2a
4363	INTEGER(iwp) :: index_2b !< corresponding bin in subrange 2b
4364	INTEGER(iwp) :: ib !< loop index
4365	INTEGER(iwp) :: ll !< loop index
4366	INTEGER(iwp) :: mm !< loop index
4367	INTEGER(iwp) :: nn !< loop index
4368
4369	REAL(wp) :: pressi !< pressure
4370	REAL(wp) :: temppi !< temperature
4371	REAL(wp) :: zdpart_mm !< diameter of particle (m)
4372	REAL(wp) :: zdpart_nn !< diameter of particle (m)
4373	REAL(wp) :: zminusterm !< coagulation loss in a bin (1/s)
4374
4375	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4376	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4377	REAL(wp), INTENT(in) :: ptstep !< time step (s)
4378
4379	REAL(wp), DIMENSION(nbins_aerosol) :: zmpart !< approximate mass of particles (kg)
4380	REAL(wp), DIMENSION(maxspec+1) :: zplusterm !< coagulation gain in a bin (for each
4381	!< chemical compound)
4382	REAL(wp), DIMENSION(nbins_aerosol,nbins_aerosol) :: zcc !< updated coagulation coeff. (m3/s)
4383
4384	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4385
4386	zdpart_mm = 0.0_wp
4387	zdpart_nn = 0.0_wp
4388	!
4389	!-- 1) Coagulation to coarse mode calculated in a simplified way:
4390	!-- CoagSink ~ Dp in continuum subrange --> 'effective' number conc. of coarse particles
4391
4392	!-- 2) Updating coagulation coefficients
4393	!
4394	!-- Aerosol mass (kg). Density of 1500 kg/m3 assumed
4395	zmpart(1:end_subrange_2b) = api6 * ( MIN( paero(1:end_subrange_2b)%dwet, 30.0E-6_wp )**3 ) &
4396	* 1500.0_wp
4397	temppi = ptemp
4398	pressi = ppres
4399	zcc = 0.0_wp
4400	!
4401	!-- Aero-aero coagulation
4402	DO mm = 1, end_subrange_2b ! smaller colliding particle
4403	IF ( paero(mm)%numc < ( 2.0_wp * nclim ) ) CYCLE
4404	DO nn = mm, end_subrange_2b ! larger colliding particle
4405	IF ( paero(nn)%numc < ( 2.0_wp * nclim ) ) CYCLE
4406
4407	zdpart_mm = MIN( paero(mm)%dwet, 30.0E-6_wp ) ! Limit to 30 um
4408	zdpart_nn = MIN( paero(nn)%dwet, 30.0E-6_wp ) ! Limit to 30 um
4409	!
4410	!-- Coagulation coefficient of particles (m3/s)
4411	zcc(mm,nn) = coagc( zdpart_mm, zdpart_nn, zmpart(mm), zmpart(nn), temppi, pressi )
4412	zcc(nn,mm) = zcc(mm,nn)
4413	ENDDO
4414	ENDDO
4415
4416	!
4417	!-- 3) New particle and volume concentrations after coagulation:
4418	!-- Calculated according to Jacobson (2005) eq. 15.9
4419	!
4420	!-- Aerosols in subrange 1a:
4421	DO ib = start_subrange_1a, end_subrange_1a
4422	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4423	zminusterm = 0.0_wp
4424	zplusterm(:) = 0.0_wp
4425	!
4426	!-- Particles lost by coagulation with larger aerosols
4427	DO ll = ib+1, end_subrange_2b
4428	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4429	ENDDO
4430	!
4431	!-- Coagulation gain in a bin: change in volume conc. (cm3/cm3):
4432	DO ll = start_subrange_1a, ib - 1
4433	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
4434	zplusterm(6:7) = zplusterm(6:7) + zcc(ll,ib) * paero(ll)%volc(6:7)
4435	zplusterm(8) = zplusterm(8) + zcc(ll,ib) * paero(ll)%volc(8)
4436	ENDDO
4437	!
4438	!-- Volume and number concentrations after coagulation update [fxm]
4439	paero(ib)%volc(1:2) = ( paero(ib)%volc(1:2) + ptstep * zplusterm(1:2) * paero(ib)%numc ) / &
4440	( 1.0_wp + ptstep * zminusterm )
4441	paero(ib)%volc(6:8) = ( paero(ib)%volc(6:8) + ptstep * zplusterm(6:8) * paero(ib)%numc ) / &
4442	( 1.0_wp + ptstep * zminusterm )
4443	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4444	zcc(ib,ib) * paero(ib)%numc )
4445	ENDDO
4446	!
4447	!-- Aerosols in subrange 2a:
4448	DO ib = start_subrange_2a, end_subrange_2a
4449	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4450	zminusterm = 0.0_wp
4451	zplusterm(:) = 0.0_wp
4452	!
4453	!-- Find corresponding size bin in subrange 2b
4454	index_2b = ib - start_subrange_2a + start_subrange_2b
4455	!
4456	!-- Particles lost by larger particles in 2a
4457	DO ll = ib+1, end_subrange_2a
4458	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4459	ENDDO
4460	!
4461	!-- Particles lost by larger particles in 2b
4462	IF ( .NOT. no_insoluble ) THEN
4463	DO ll = index_2b+1, end_subrange_2b
4464	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4465	ENDDO
4466	ENDIF
4467	!
4468	!-- Particle volume gained from smaller particles in subranges 1, 2a and 2b
4469	DO ll = start_subrange_1a, ib-1
4470	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
4471	zplusterm(6:8) = zplusterm(6:8) + zcc(ll,ib) * paero(ll)%volc(6:8)
4472	ENDDO
4473	!
4474	!-- Particle volume gained from smaller particles in 2a
4475	!-- (Note, for components not included in the previous loop!)
4476	DO ll = start_subrange_2a, ib-1
4477	zplusterm(3:5) = zplusterm(3:5) + zcc(ll,ib)*paero(ll)%volc(3:5)
4478	ENDDO
4479	!
4480	!-- Particle volume gained from smaller (and equal) particles in 2b
4481	IF ( .NOT. no_insoluble ) THEN
4482	DO ll = start_subrange_2b, index_2b
4483	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4484	ENDDO
4485	ENDIF
4486	!
4487	!-- Volume and number concentrations after coagulation update [fxm]
4488	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) / &
4489	( 1.0_wp + ptstep * zminusterm )
4490	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4491	zcc(ib,ib) * paero(ib)%numc )
4492	ENDDO
4493	!
4494	!-- Aerosols in subrange 2b:
4495	IF ( .NOT. no_insoluble ) THEN
4496	DO ib = start_subrange_2b, end_subrange_2b
4497	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4498	zminusterm = 0.0_wp
4499	zplusterm(:) = 0.0_wp
4500	!
4501	!-- Find corresponding size bin in subsubrange 2a
4502	index_2a = ib - start_subrange_2b + start_subrange_2a
4503	!
4504	!-- Particles lost to larger particles in subranges 2b
4505	DO ll = ib + 1, end_subrange_2b
4506	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4507	ENDDO
4508	!
4509	!-- Particles lost to larger and equal particles in 2a
4510	DO ll = index_2a, end_subrange_2a
4511	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4512	ENDDO
4513	!
4514	!-- Particle volume gained from smaller particles in subranges 1 & 2a
4515	DO ll = start_subrange_1a, index_2a - 1
4516	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4517	ENDDO
4518	!
4519	!-- Particle volume gained from smaller particles in 2b
4520	DO ll = start_subrange_2b, ib - 1
4521	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4522	ENDDO
4523	!
4524	!-- Volume and number concentrations after coagulation update [fxm]
4525	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) &
4526	/ ( 1.0_wp + ptstep * zminusterm )
4527	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4528	zcc(ib,ib) * paero(ib)%numc )
4529	ENDDO
4530	ENDIF
4531
4532	END SUBROUTINE coagulation
4533
4534	!------------------------------------------------------------------------------!
4535	! Description:
4536	! ------------
4537	!> Calculation of coagulation coefficients. Extended version of the function
4538	!> originally found in mo_salsa_init.
4539	!
4540	!> J. Tonttila, FMI, 05/2014
4541	!------------------------------------------------------------------------------!
4542	REAL(wp) FUNCTION coagc( diam1, diam2, mass1, mass2, temp, pres )
4543
4544	IMPLICIT NONE
4545
4546	REAL(wp) :: fmdist !< distance of flux matching (m)
4547	REAL(wp) :: knud_p !< particle Knudsen number
4548	REAL(wp) :: mdiam !< mean diameter of colliding particles (m)
4549	REAL(wp) :: mfp !< mean free path of air molecules (m)
4550	REAL(wp) :: visc !< viscosity of air (kg/(m s))
4551
4552	REAL(wp), INTENT(in) :: diam1 !< diameter of colliding particle 1 (m)
4553	REAL(wp), INTENT(in) :: diam2 !< diameter of colliding particle 2 (m)
4554	REAL(wp), INTENT(in) :: mass1 !< mass of colliding particle 1 (kg)
4555	REAL(wp), INTENT(in) :: mass2 !< mass of colliding particle 2 (kg)
4556	REAL(wp), INTENT(in) :: pres !< ambient pressure (Pa?) [fxm]
4557	REAL(wp), INTENT(in) :: temp !< ambient temperature (K)
4558
4559	REAL(wp), DIMENSION (2) :: beta !< Cunningham correction factor
4560	REAL(wp), DIMENSION (2) :: dfpart !< particle diffusion coefficient (m2/s)
4561	REAL(wp), DIMENSION (2) :: diam !< diameters of particles (m)
4562	REAL(wp), DIMENSION (2) :: flux !< flux in continuum and free molec. regime (m/s)
4563	REAL(wp), DIMENSION (2) :: knud !< particle Knudsen number
4564	REAL(wp), DIMENSION (2) :: mpart !< masses of particles (kg)
4565	REAL(wp), DIMENSION (2) :: mtvel !< particle mean thermal velocity (m/s)
4566	REAL(wp), DIMENSION (2) :: omega !< particle mean free path
4567	REAL(wp), DIMENSION (2) :: tva !< temporary variable (m)
4568	!
4569	!-- Initialisation
4570	coagc = 0.0_wp
4571	!
4572	!-- 1) Initializing particle and ambient air variables
4573	diam = (/ diam1, diam2 /) !< particle diameters (m)
4574	mpart = (/ mass1, mass2 /) !< particle masses (kg)
4575	!
4576	!-- Viscosity of air (kg/(m s))
4577	visc = ( 7.44523E-3_wp * temp ** 1.5_wp ) / ( 5093.0_wp * ( temp + 110.4_wp ) )
4578	!
4579	!-- Mean free path of air (m)
4580	mfp = ( 1.656E-10_wp * temp + 1.828E-8_wp ) * ( p_0 + 1325.0_wp ) / pres
4581	!
4582	!-- 2) Slip correction factor for small particles
4583	knud = 2.0_wp * EXP( LOG(mfp) - LOG(diam) )! Knudsen number for air (15.23)
4584	!
4585	!-- Cunningham correction factor (Allen and Raabe, Aerosol Sci. Tech. 4, 269)
4586	beta = 1.0_wp + knud * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / knud ) )
4587	!
4588	!-- 3) Particle properties
4589	!-- Diffusion coefficient (m2/s) (Jacobson (2005) eq. 15.29)
4590	dfpart = beta * abo * temp / ( 3.0_wp * pi * visc * diam )
4591	!
4592	!-- Mean thermal velocity (m/s) (Jacobson (2005) eq. 15.32)
4593	mtvel = SQRT( ( 8.0_wp * abo * temp ) / ( pi * mpart ) )
4594	!
4595	!-- Particle mean free path (m) (Jacobson (2005) eq. 15.34 )
4596	omega = 8.0_wp * dfpart / ( pi * mtvel )
4597	!
4598	!-- Mean diameter (m)
4599	mdiam = 0.5_wp * ( diam(1) + diam(2) )
4600	!
4601	!-- 4) Calculation of fluxes (Brownian collision kernels) and flux matching
4602	!-- following Jacobson (2005):
4603	!
4604	!-- Flux in continuum regime (m3/s) (eq. 15.28)
4605	flux(1) = 4.0_wp * pi * mdiam * ( dfpart(1) + dfpart(2) )
4606	!
4607	!-- Flux in free molec. regime (m3/s) (eq. 15.31)
4608	flux(2) = pi * SQRT( ( mtvel(1)2 ) + ( mtvel(2)2 ) ) * ( mdiam**2 )
4609	!
4610	!-- temporary variables (m) to calculate flux matching distance (m)
4611	tva(1) = ( ( mdiam + omega(1) )3 - ( mdiam2 + omega(1)*2 ) SQRT( ( mdiam**2 + &
4612	omega(1)*2 ) ) ) / ( 3.0_wp mdiam * omega(1) ) - mdiam
4613	tva(2) = ( ( mdiam + omega(2) )3 - ( mdiam2 + omega(2)*2 ) SQRT( ( mdiam**2 + &
4614	omega(2)*2 ) ) ) / ( 3.0_wp mdiam * omega(2) ) - mdiam
4615	!
4616	!-- Flux matching distance (m): the mean distance from the centre of a sphere reached by particles
4617	!-- that leave sphere's surface and travel a distance of particle mean free path (eq. 15.34)
4618	fmdist = SQRT( tva(1)2 + tva(2)2 )
4619	!
4620	!-- 5) Coagulation coefficient = coalescence efficiency * collision kernel (m3/s) (eq. 15.33).
4621	!-- Here assumed coalescence efficiency 1!!
4622	coagc = flux(1) / ( mdiam / ( mdiam + fmdist) + flux(1) / flux(2) )
4623	!
4624	!-- Corrected collision kernel (Karl et al., 2016 (ACP)): Include van der Waals and viscous forces
4625	IF ( van_der_waals_coagc ) THEN
4626	knud_p = SQRT( omega(1)2 + omega(2)2 ) / mdiam
4627	IF ( knud_p >= 0.1_wp .AND. knud_p <= 10.0_wp ) THEN
4628	coagc = coagc * ( 2.0_wp + 0.4_wp * LOG( knud_p ) )
4629	ELSE
4630	coagc = coagc * 3.0_wp
4631	ENDIF
4632	ENDIF
4633
4634	END FUNCTION coagc
4635
4636	!------------------------------------------------------------------------------!
4637	! Description:
4638	! ------------
4639	!> Calculates the change in particle volume and gas phase
4640	!> concentrations due to nucleation, condensation and dissolutional growth.
4641	!
4642	!> Sulphuric acid and organic vapour: only condensation and no evaporation.
4643	!
4644	!> New gas and aerosol phase concentrations calculated according to Jacobson
4645	!> (1997): Numerical techniques to solve condensational and dissolutional growth
4646	!> equations when growth is coupled to reversible reactions, Aerosol Sci. Tech.,
4647	!> 27, pp 491-498.
4648	!
4649	!> Following parameterization has been used:
4650	!> Molecular diffusion coefficient of condensing vapour (m2/s)
4651	!> (Reid et al. (1987): Properties of gases and liquids, McGraw-Hill, New York.)
4652	!> D = {1.d-7sqrt(1/M_air + 1/M_gas)T^1.75} / &
4653	! {p_atm/p_stand * (d_air^(1/3) + d_gas^(1/3))^2 }
4654	!> M_air = 28.965 : molar mass of air (g/mol)
4655	!> d_air = 19.70 : diffusion volume of air
4656	!> M_h2so4 = 98.08 : molar mass of h2so4 (g/mol)
4657	!> d_h2so4 = 51.96 : diffusion volume of h2so4
4658	!
4659	!> Called from main aerosol model
4660	!> For equations, see Jacobson, Fundamentals of Atmospheric Modeling, 2nd Edition (2005)
4661	!
4662	!> Coded by:
4663	!> Hannele Korhonen (FMI) 2005
4664	!> Harri Kokkola (FMI) 2006
4665	!> Juha Tonttila (FMI) 2014
4666	!> Rewritten to PALM by Mona Kurppa (UHel) 2017
4667	!------------------------------------------------------------------------------!
4668	SUBROUTINE condensation( paero, pc_sa, pc_ocnv, pcocsv, pchno3, pc_nh3, pcw, pcs, ptemp, ppres, &
4669	ptstep, prtcl )
4670
4671	IMPLICIT NONE
4672
4673	INTEGER(iwp) :: ss !< start index
4674	INTEGER(iwp) :: ee !< end index
4675
4676	REAL(wp) :: zcs_ocnv !< condensation sink of nonvolatile organics (1/s)
4677	REAL(wp) :: zcs_ocsv !< condensation sink of semivolatile organics (1/s)
4678	REAL(wp) :: zcs_su !< condensation sink of sulfate (1/s)
4679	REAL(wp) :: zcs_tot !< total condensation sink (1/s) (gases)
4680	REAL(wp) :: zcvap_new1 !< vapour concentration after time step (#/m3): sulphuric acid
4681	REAL(wp) :: zcvap_new2 !< nonvolatile organics
4682	REAL(wp) :: zcvap_new3 !< semivolatile organics
4683	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4684	REAL(wp) :: zdvap1 !< change in vapour concentration (#/m3): sulphuric acid
4685	REAL(wp) :: zdvap2 !< nonvolatile organics
4686	REAL(wp) :: zdvap3 !< semivolatile organics
4687	REAL(wp) :: zmfp !< mean free path of condensing vapour (m)
4688	REAL(wp) :: zrh !< Relative humidity [0-1]
4689	REAL(wp) :: zvisc !< viscosity of air (kg/(m s))
4690	REAL(wp) :: zn_vs_c !< ratio of nucleation of all mass transfer in the smallest bin
4691	REAL(wp) :: zxocnv !< ratio of organic vapour in 3nm particles
4692	REAL(wp) :: zxsa !< Ratio in 3nm particles: sulphuric acid
4693
4694	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4695	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
4696	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4697	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
4698
4699	REAL(wp), INTENT(inout) :: pchno3 !< Gas concentrations (#/m3): nitric acid HNO3
4700	REAL(wp), INTENT(inout) :: pc_nh3 !< ammonia NH3
4701	REAL(wp), INTENT(inout) :: pc_ocnv !< non-volatile organics
4702	REAL(wp), INTENT(inout) :: pcocsv !< semi-volatile organics
4703	REAL(wp), INTENT(inout) :: pc_sa !< sulphuric acid H2SO4
4704	REAL(wp), INTENT(inout) :: pcw !< Water vapor concentration (kg/m3)
4705
4706	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
4707	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate !< collision rate (1/s)
4708	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate_ocnv !< collision rate of OCNV (1/s)
4709	REAL(wp), DIMENSION(start_subrange_1a+1) :: zdfpart !< particle diffusion coef. (m2/s)
4710	REAL(wp), DIMENSION(nbins_aerosol) :: zdvoloc !< change of organics volume
4711	REAL(wp), DIMENSION(nbins_aerosol) :: zdvolsa !< change of sulphate volume
4712	REAL(wp), DIMENSION(2) :: zj3n3 !< Formation massrate of molecules
4713	!< in nucleation, (molec/m3s),
4714	!< 1: H2SO4 and 2: organic vapor
4715	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
4716
4717	TYPE(component_index), INTENT(in) :: prtcl !< Keeps track which substances are used
4718
4719	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4720
4721	zj3n3 = 0.0_wp
4722	zrh = pcw / pcs
4723	zxocnv = 0.0_wp
4724	zxsa = 0.0_wp
4725	!
4726	!-- Nucleation
4727	IF ( nsnucl > 0 ) THEN
4728	CALL nucleation( paero, ptemp, zrh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, zj3n3, zxsa, &
4729	zxocnv )
4730	ENDIF
4731	!
4732	!-- Condensation on pre-existing particles
4733	IF ( lscndgas ) THEN
4734	!
4735	!-- Initialise:
4736	zdvolsa = 0.0_wp
4737	zdvoloc = 0.0_wp
4738	zcolrate = 0.0_wp
4739	!
4740	!-- 1) Properties of air and condensing gases:
4741	!-- Viscosity of air (kg/(m s)) (Eq. 4.54 in Jabonson (2005))
4742	zvisc = ( 7.44523E-3_wp * ptemp ** 1.5_wp ) / ( 5093.0_wp * ( ptemp + 110.4_wp ) )
4743	!
4744	!-- Diffusion coefficient of air (m2/s)
4745	zdfvap = 5.1111E-10_wp * ptemp ** 1.75_wp * ( p_0 + 1325.0_wp ) / ppres
4746	!
4747	!-- Mean free path (m): same for H2SO4 and organic compounds
4748	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
4749	!
4750	!-- 2) Transition regime correction factor zbeta for particles (Fuchs and Sutugin (1971)):
4751	!-- Size of condensing molecule considered only for nucleation mode (3 - 20 nm).
4752	!
4753	!-- Particle Knudsen number: condensation of gases on aerosols
4754	ss = start_subrange_1a
4755	ee = start_subrange_1a+1
4756	zknud(ss:ee) = 2.0_wp * zmfp / ( paero(ss:ee)%dwet + d_sa )
4757	ss = start_subrange_1a+2
4758	ee = end_subrange_2b
4759	zknud(ss:ee) = 2.0_wp * zmfp / paero(ss:ee)%dwet
4760	!
4761	!-- Transitional correction factor: aerosol + gas (the semi-empirical Fuchs- Sutugin
4762	!-- interpolation function (Fuchs and Sutugin, 1971))
4763	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
4764	( zknud + zknud ** 2 ) )
4765	!
4766	!-- 3) Collision rate of molecules to particles
4767	!-- Particle diffusion coefficient considered only for nucleation mode (3 - 20 nm)
4768	!
4769	!-- Particle diffusion coefficient (m2/s) (e.g. Eq. 15.29 in Jacobson (2005))
4770	zdfpart = abo * ptemp * zbeta(start_subrange_1a:start_subrange_1a+1) / ( 3.0_wp * pi * zvisc&
4771	* paero(start_subrange_1a:start_subrange_1a+1)%dwet)
4772	!
4773	!-- Collision rate (mass-transfer coefficient): gases on aerosols (1/s) (Eq. 16.64 in
4774	!-- Jacobson (2005))
4775	ss = start_subrange_1a
4776	ee = start_subrange_1a+1
4777	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * ( paero(ss:ee)%dwet + d_sa ) * ( zdfvap + zdfpart ) *&
4778	zbeta(ss:ee) * paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4779	ss = start_subrange_1a+2
4780	ee = end_subrange_2b
4781	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * paero(ss:ee)%dwet * zdfvap * zbeta(ss:ee) * &
4782	paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4783	!
4784	!-- 4) Condensation sink (1/s)
4785	zcs_tot = SUM( zcolrate ) ! total sink
4786	!
4787	!-- 5) Changes in gas-phase concentrations and particle volume
4788	!
4789	!-- 5.1) Organic vapours
4790	!
4791	!-- 5.1.1) Non-volatile organic compound: condenses onto all bins
4792	IF ( pc_ocnv > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_oc > 0 ) &
4793	THEN
4794	!-- Ratio of nucleation vs. condensation rates in the smallest bin
4795	zn_vs_c = 0.0_wp
4796	IF ( zj3n3(2) > 1.0_wp ) THEN
4797	zn_vs_c = ( zj3n3(2) ) / ( zj3n3(2) + pc_ocnv * zcolrate(start_subrange_1a) )
4798	ENDIF
4799	!
4800	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4801	!-- Jacobson (2005), eq. (16.73) )
4802	zcolrate_ocnv = zcolrate
4803	zcolrate_ocnv(start_subrange_1a) = zcolrate_ocnv(start_subrange_1a) + zj3n3(2) / pc_ocnv
4804	!
4805	!-- Total sink for organic vapor
4806	zcs_ocnv = zcs_tot + zj3n3(2) / pc_ocnv
4807	!
4808	!-- New gas phase concentration (#/m3)
4809	zcvap_new2 = pc_ocnv / ( 1.0_wp + ptstep * zcs_ocnv )
4810	!
4811	!-- Change in gas concentration (#/m3)
4812	zdvap2 = pc_ocnv - zcvap_new2
4813	!
4814	!-- Updated vapour concentration (#/m3)
4815	pc_ocnv = zcvap_new2
4816	!
4817	!-- Volume change of particles (m3(OC)/m3(air))
4818	zdvoloc = zcolrate_ocnv(start_subrange_1a:end_subrange_2b) / zcs_ocnv * amvoc * zdvap2
4819	!
4820	!-- Change of volume due to condensation in 1a-2b
4821	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4822	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4823	!
4824	!-- Change of number concentration in the smallest bin caused by nucleation (Jacobson (2005),
4825	!-- eq. (16.75)). If zxocnv = 0, then the chosen nucleation mechanism doesn't take into
4826	!-- account the non-volatile organic vapors and thus the paero doesn't have to be updated.
4827	IF ( zxocnv > 0.0_wp ) THEN
4828	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4829	zdvoloc(start_subrange_1a) / amvoc / ( n3 * zxocnv )
4830	ENDIF
4831	ENDIF
4832	!
4833	!-- 5.1.2) Semivolatile organic compound: all bins except subrange 1
4834	zcs_ocsv = SUM( zcolrate(start_subrange_2a:end_subrange_2b) ) !< sink for semi-volatile org.
4835	IF ( pcocsv > 1.0E+10_wp .AND. zcs_ocsv > 1.0E-30 .AND. is_used( prtcl,'OC') ) THEN
4836	!
4837	!-- New gas phase concentration (#/m3)
4838	zcvap_new3 = pcocsv / ( 1.0_wp + ptstep * zcs_ocsv )
4839	!
4840	!-- Change in gas concentration (#/m3)
4841	zdvap3 = pcocsv - zcvap_new3
4842	!
4843	!-- Updated gas concentration (#/m3)
4844	pcocsv = zcvap_new3
4845	!
4846	!-- Volume change of particles (m3(OC)/m3(air))
4847	ss = start_subrange_2a
4848	ee = end_subrange_2b
4849	zdvoloc(ss:ee) = zdvoloc(ss:ee) + zcolrate(ss:ee) / zcs_ocsv * amvoc * zdvap3
4850	!
4851	!-- Change of volume due to condensation in 1a-2b
4852	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4853	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4854	ENDIF
4855	!
4856	!-- 5.2) Sulphate: condensed on all bins
4857	IF ( pc_sa > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_so4 > 0 ) THEN
4858	!
4859	!-- Ratio of mass transfer between nucleation and condensation
4860	zn_vs_c = 0.0_wp
4861	IF ( zj3n3(1) > 1.0_wp ) THEN
4862	zn_vs_c = ( zj3n3(1) ) / ( zj3n3(1) + pc_sa * zcolrate(start_subrange_1a) )
4863	ENDIF
4864	!
4865	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4866	!-- Jacobson (2005), eq. (16.73))
4867	zcolrate(start_subrange_1a) = zcolrate(start_subrange_1a) + zj3n3(1) / pc_sa
4868	!
4869	!-- Total sink for sulfate (1/s)
4870	zcs_su = zcs_tot + zj3n3(1) / pc_sa
4871	!
4872	!-- Sulphuric acid:
4873	!-- New gas phase concentration (#/m3)
4874	zcvap_new1 = pc_sa / ( 1.0_wp + ptstep * zcs_su )
4875	!
4876	!-- Change in gas concentration (#/m3)
4877	zdvap1 = pc_sa - zcvap_new1
4878	!
4879	!-- Updating vapour concentration (#/m3)
4880	pc_sa = zcvap_new1
4881	!
4882	!-- Volume change of particles (m3(SO4)/m3(air)) by condensation
4883	zdvolsa = zcolrate(start_subrange_1a:end_subrange_2b) / zcs_su * amvh2so4 * zdvap1
4884	!
4885	!-- Change of volume concentration of sulphate in aerosol [fxm]
4886	paero(start_subrange_1a:end_subrange_2b)%volc(1) = &
4887	paero(start_subrange_1a:end_subrange_2b)%volc(1) + zdvolsa
4888	!
4889	!-- Change of number concentration in the smallest bin caused by nucleation
4890	!-- (Jacobson (2005), equation (16.75))
4891	IF ( zxsa > 0.0_wp ) THEN
4892	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4893	zdvolsa(start_subrange_1a) / amvh2so4 / ( n3 * zxsa)
4894	ENDIF
4895	ENDIF
4896	!
4897	!-- Partitioning of H2O, HNO3, and NH3: Dissolutional growth
4898	IF ( lspartition .AND. ( pchno3 > 1.0E+10_wp .OR. pc_nh3 > 1.0E+10_wp ) ) THEN
4899	CALL gpparthno3( ppres, ptemp, paero, pchno3, pc_nh3, pcw, pcs, zbeta, ptstep )
4900	ENDIF
4901	ENDIF
4902	!
4903	!-- Condensation of water vapour
4904	IF ( lscndh2oae ) THEN
4905	CALL gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
4906	ENDIF
4907
4908	END SUBROUTINE condensation
4909
4910	!------------------------------------------------------------------------------!
4911	! Description:
4912	! ------------
4913	!> Calculates the particle number and volume increase, and gas-phase
4914	!> concentration decrease due to nucleation subsequent growth to detectable size
4915	!> of 3 nm.
4916	!
4917	!> Method:
4918	!> When the formed clusters grow by condensation (possibly also by self-
4919	!> coagulation), their number is reduced due to scavenging to pre-existing
4920	!> particles. Thus, the apparent nucleation rate at 3 nm is significantly lower
4921	!> than the real nucleation rate (at ~1 nm).
4922	!
4923	!> Calculation of the formation rate of detectable particles at 3 nm (i.e. J3):
4924	!> nj3 = 1: Kerminen, V.-M. and Kulmala, M. (2002), J. Aerosol Sci.,33, 609-622.
4925	!> nj3 = 2: Lehtinen et al. (2007), J. Aerosol Sci., 38(9), 988-994.
4926	!> nj3 = 3: Anttila et al. (2010), J. Aerosol Sci., 41(7), 621-636.
4927	!
4928	!> c = aerosol of critical radius (1 nm)
4929	!> x = aerosol with radius 3 nm
4930	!> 2 = wet or mean droplet
4931	!
4932	!> Called from subroutine condensation (in module salsa_dynamics_mod.f90)
4933	!
4934	!> Calls one of the following subroutines:
4935	!> - binnucl
4936	!> - ternucl
4937	!> - kinnucl
4938	!> - actnucl
4939	!
4940	!> fxm: currently only sulphuric acid grows particles from 1 to 3 nm
4941	!> (if asked from Markku, this is terribly wrong!!!)
4942	!
4943	!> Coded by:
4944	!> Hannele Korhonen (FMI) 2005
4945	!> Harri Kokkola (FMI) 2006
4946	!> Matti Niskanen(FMI) 2012
4947	!> Anton Laakso (FMI) 2013
4948	!------------------------------------------------------------------------------!
4949
4950	SUBROUTINE nucleation( paero, ptemp, prh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, pj3n3, pxsa, &
4951	pxocnv )
4952
4953	IMPLICIT NONE
4954
4955	INTEGER(iwp) :: iteration
4956
4957	REAL(wp) :: zc_h2so4 !< H2SO4 conc. (#/cm3) !UNITS!
4958	REAL(wp) :: zc_org !< organic vapour conc. (#/cm3)
4959	REAL(wp) :: zcc_c !< Cunningham correct factor for c = critical (1nm)
4960	REAL(wp) :: zcc_x !< Cunningham correct factor for x = 3nm
4961	REAL(wp) :: zcoags_c !< coagulation sink (1/s) for c = critical (1nm)
4962	REAL(wp) :: zcoags_x !< coagulation sink (1/s) for x = 3nm
4963	REAL(wp) :: zcoagstot !< total particle losses due to coagulation, including condensation
4964	!< and self-coagulation
4965	REAL(wp) :: zcocnv_local !< organic vapour conc. (#/m3)
4966	REAL(wp) :: zcsink !< condensational sink (#/m2)
4967	REAL(wp) :: zcsa_local !< H2SO4 conc. (#/m3)
4968	REAL(wp) :: zcv_c !< mean relative thermal velocity (m/s) for c = critical (1nm)
4969	REAL(wp) :: zcv_x !< mean relative thermal velocity (m/s) for x = 3nm
4970	REAL(wp) :: zdcrit !< diameter of critical cluster (m)
4971	REAL(wp) :: zdelta_vap !< change of H2SO4 and organic vapour concentration (#/m3)
4972	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4973	REAL(wp) :: zdmean !< mean diameter of existing particles (m)
4974	REAL(wp) :: zeta !< constant: proportional to ratio of CS/GR (m)
4975	!< (condensation sink / growth rate)
4976	REAL(wp) :: zgamma !< proportionality factor ((nm2*m2)/h)
4977	REAL(wp) :: z_gr_clust !< growth rate of formed clusters (nm/h)
4978	REAL(wp) :: z_gr_tot !< total growth rate
4979	REAL(wp) :: zj3 !< number conc. of formed 3nm particles (#/m3)
4980	REAL(wp) :: zjnuc !< nucleation rate at ~1nm (#/m3s)
4981	REAL(wp) :: z_k_eff !< effective cogulation coefficient for freshly nucleated particles
4982	REAL(wp) :: zknud_c !< Knudsen number for c = critical (1nm)
4983	REAL(wp) :: zknud_x !< Knudsen number for x = 3nm
4984	REAL(wp) :: zkocnv !< lever: zkocnv=1 --> organic compounds involved in nucleation
4985	REAL(wp) :: zksa !< lever: zksa=1 --> H2SO4 involved in nucleation
4986	REAL(wp) :: zlambda !< parameter for adjusting the growth rate due to self-coagulation
4987	REAL(wp) :: zm_c !< particle mass (kg) for c = critical (1nm)
4988	REAL(wp) :: zm_para !< Parameter m for calculating the coagulation sink (Eq. 5&6 in
4989	!< Lehtinen et al. 2007)
4990	REAL(wp) :: zm_x !< particle mass (kg) for x = 3nm
4991	REAL(wp) :: zmfp !< mean free path of condesing vapour(m)
4992	REAL(wp) :: zmixnh3 !< ammonia mixing ratio (ppt)
4993	REAL(wp) :: zmyy !< gas dynamic viscosity (N*s/m2)
4994	REAL(wp) :: z_n_nuc !< number of clusters/particles at the size range d1-dx (#/m3)
4995	REAL(wp) :: znoc !< number of organic molecules in critical cluster
4996	REAL(wp) :: znsa !< number of H2SO4 molecules in critical cluster
4997
4998	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia concentration (#/m3)
4999	REAL(wp), INTENT(in) :: pc_ocnv !< conc. of non-volatile OC (#/m3)
5000	REAL(wp), INTENT(in) :: pc_sa !< sulphuric acid conc. (#/m3)
5001	REAL(wp), INTENT(in) :: ppres !< ambient air pressure (Pa)
5002	REAL(wp), INTENT(in) :: prh !< ambient rel. humidity [0-1]
5003	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5004	REAL(wp), INTENT(in) :: ptstep !< time step (s) of SALSA
5005
5006	REAL(wp), INTENT(inout) :: pj3n3(2) !< formation mass rate of molecules (molec/m3s) for
5007	!< 1: H2SO4 and 2: organic vapour
5008
5009	REAL(wp), INTENT(out) :: pxocnv !< ratio of non-volatile organic vapours in 3 nm particles
5010	REAL(wp), INTENT(out) :: pxsa !< ratio of H2SO4 in 3 nm aerosol particles
5011
5012	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
5013	REAL(wp), DIMENSION(nbins_aerosol) :: zcc_2 !< Cunningham correct factor:2
5014	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_2 !< mean relative thermal velocity (m/s): 2
5015	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_c2 !< average velocity after coagulation: c & 2
5016	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_x2 !< average velocity after coagulation: x & 2
5017	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_2 !< particle diffusion coefficient (m2/s): 2
5018	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c !< particle diffusion coefficient (m2/s): c
5019	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c2 !< sum of diffusion coef. for c and 2
5020	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x !< particle diffusion coefficient (m2/s): x
5021	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x2 !< sum of diffusion coef. for: x & 2
5022	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_2 !< zgamma_f for calculating zomega
5023	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_c !< zgamma_f for calculating zomega
5024	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_x !< zgamma_f for calculating zomega
5025	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_c2 !< coagulation coef. in the continuum
5026	!< regime: c & 2
5027	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_x2 !< coagulation coef. in the continuum
5028	!< regime: x & 2
5029	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
5030	REAL(wp), DIMENSION(nbins_aerosol) :: zknud_2 !< particle Knudsen number: 2
5031	REAL(wp), DIMENSION(nbins_aerosol) :: zm_2 !< particle mass (kg): 2
5032	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2c !< zomega (m) for calculating zsigma: c & 2
5033	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2x !< zomega (m) for calculating zsigma: x & 2
5034	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_c !< zomega (m) for calculating zsigma: c
5035	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_x !< zomega (m) for calculating zsigma: x
5036	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_c2 !< sum of the radii: c & 2
5037	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_x2 !< sum of the radii: x & 2
5038	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_c2 !<
5039	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_x2 !<
5040
5041	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
5042	!
5043	!-- 1) Nucleation rate (zjnuc) and diameter of critical cluster (zdcrit)
5044	zjnuc = 0.0_wp
5045	znsa = 0.0_wp
5046	znoc = 0.0_wp
5047	zdcrit = 0.0_wp
5048	zksa = 0.0_wp
5049	zkocnv = 0.0_wp
5050
5051	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
5052	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
5053	zmixnh3 = pc_nh3 * ptemp * argas / ( ppres * avo )
5054
5055	SELECT CASE ( nsnucl )
5056	!
5057	!-- Binary H2SO4-H2O nucleation
5058	CASE(1)
5059
5060	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
5061	!
5062	!-- Activation type nucleation (See Riipinen et al. (2007), Atmos. Chem. Phys., 7(8), 1899-1914)
5063	CASE(2)
5064	!
5065	!-- Nucleation rate (#/(m3 s))
5066	zc_h2so4 = MAX( zc_h2so4, 1.0E4_wp )
5067	zc_h2so4 = MIN( zc_h2so4, 1.0E11_wp )
5068	zjnuc = act_coeff * pc_sa ! (#/(m3 s))
5069	!
5070	!-- Organic compounds not involved when kinetic nucleation is assumed.
5071	zdcrit = 7.9375E-10_wp ! (m)
5072	zkocnv = 0.0_wp
5073	zksa = 1.0_wp
5074	znoc = 0.0_wp
5075	znsa = 2.0_wp
5076	!
5077	!-- Kinetically limited nucleation of (NH4)HSO4 clusters
5078	!-- (See Sihto et al. (2006), Atmos. Chem. Phys., 6(12), 4079-4091.)
5079	CASE(3)
5080	!
5081	!-- Nucleation rate = coagcoeffzpcsa*2 (#/(m3 s))
5082	zc_h2so4 = MAX( zc_h2so4, 1.0E4_wp )
5083	zc_h2so4 = MIN( zc_h2so4, 1.0E11_wp )
5084	zjnuc = 5.0E-13_wp * zc_h2so4*2.0_wp 1.0E+6_wp
5085	!
5086	!-- Organic compounds not involved when kinetic nucleation is assumed.
5087	zdcrit = 7.9375E-10_wp ! (m)
5088	zkocnv = 0.0_wp
5089	zksa = 1.0_wp
5090	znoc = 0.0_wp
5091	znsa = 2.0_wp
5092	!
5093	!-- Ternary H2SO4-H2O-NH3 nucleation
5094	CASE(4)
5095
5096	CALL ternucl( zc_h2so4, zmixnh3, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
5097	!
5098	!-- Organic nucleation, J~[ORG] or J~[ORG]**2
5099	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.)
5100	CASE(5)
5101	!
5102	!-- Homomolecular nuleation rate
5103	zjnuc = 1.3E-7_wp * pc_ocnv ! (1/s) (Paasonen et al. Table 4: median a_org)
5104	!
5105	!-- H2SO4 not involved when pure organic nucleation is assumed.
5106	zdcrit = 1.5E-9 ! (m)
5107	zkocnv = 1.0_wp
5108	zksa = 0.0_wp
5109	znoc = 1.0_wp
5110	znsa = 0.0_wp
5111	!
5112	!-- Sum of H2SO4 and organic activation type nucleation, J~[H2SO4]+[ORG]
5113	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242)
5114	CASE(6)
5115	!
5116	!-- Nucleation rate (#/m3/s)
5117	zjnuc = 6.1E-7_wp * pc_sa + 0.39E-7_wp * pc_ocnv ! (Paasonen et al. Table 3.)
5118	!
5119	!-- Both organic compounds and H2SO4 are involved when sumnucleation is assumed.
5120	zdcrit = 1.5E-9_wp ! (m)
5121	zkocnv = 1.0_wp
5122	zksa = 1.0_wp
5123	znoc = 1.0_wp
5124	znsa = 1.0_wp
5125	!
5126	!-- Heteromolecular nucleation, J~[H2SO4]*[ORG]
5127	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.)
5128	CASE(7)
5129	!
5130	!-- Nucleation rate (#/m3/s)
5131	zjnuc = 4.1E-14_wp * pc_sa * pc_ocnv * 1.0E6_wp ! (Paasonen et al. Table 4: median)
5132	!
5133	!-- Both organic compounds and H2SO4 are involved when heteromolecular nucleation is assumed
5134	zdcrit = 1.5E-9_wp ! (m)
5135	zkocnv = 1.0_wp
5136	zksa = 1.0_wp
5137	znoc = 1.0_wp
5138	znsa = 1.0_wp
5139	!
5140	!-- Homomolecular nucleation of H2SO4 and heteromolecular nucleation of H2SO4 and organic vapour,
5141	!-- J~[H2SO4]*2 + [H2SO4][ORG] (EUCAARI project)
5142	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242)
5143	CASE(8)
5144	!
5145	!-- Nucleation rate (#/m3/s)
5146	zjnuc = ( 1.1E-14_wp * zc_h2so4*2 + 3.2E-14_wp zc_h2so4 * zc_org ) * 1.0E+6_wp
5147	!
5148	!-- Both organic compounds and H2SO4 are involved when SAnucleation is assumed
5149	zdcrit = 1.5E-9_wp ! (m)
5150	zkocnv = 1.0_wp
5151	zksa = 1.0_wp
5152	znoc = 1.0_wp
5153	znsa = 3.0_wp
5154	!
5155	!-- Homomolecular nucleation of H2SO4 and organic vapour and heteromolecular nucleation of H2SO4
5156	!-- and organic vapour, J~[H2SO4]*2 + [H2SO4][ORG]+[ORG]**2 (EUCAARI project)
5157	CASE(9)
5158	!
5159	!-- Nucleation rate (#/m3/s)
5160	zjnuc = ( 1.4E-14_wp * zc_h2so4*2 + 2.6E-14_wp zc_h2so4 * zc_org + 0.037E-14_wp * &
5161	zc_org*2 ) 1.0E+6_wp
5162	!
5163	!-- Both organic compounds and H2SO4 are involved when SAORGnucleation is assumed
5164	zdcrit = 1.5E-9_wp ! (m)
5165	zkocnv = 1.0_wp
5166	zksa = 1.0_wp
5167	znoc = 3.0_wp
5168	znsa = 3.0_wp
5169
5170	END SELECT
5171
5172	zcsa_local = pc_sa
5173	zcocnv_local = pc_ocnv
5174	!
5175	!-- 2) Change of particle and gas concentrations due to nucleation
5176	!
5177	!-- 2.1) Check that there is enough H2SO4 and organic vapour to produce the nucleation
5178	IF ( nsnucl <= 4 ) THEN
5179	!
5180	!-- If the chosen nucleation scheme is 1-4, nucleation occurs only due to H2SO4. All of the total
5181	!-- vapour concentration that is taking part to the nucleation is there for sulphuric acid
5182	!-- (sa = H2SO4) and non-volatile organic vapour is zero.
5183	pxsa = 1.0_wp ! ratio of sulphuric acid in 3nm particles
5184	pxocnv = 0.0_wp ! ratio of non-volatile origanic vapour
5185	! in 3nm particles
5186	ELSEIF ( nsnucl > 4 ) THEN
5187	!
5188	!-- If the chosen nucleation scheme is 5-9, nucleation occurs due to organic vapour or the
5189	!-- combination of organic vapour and H2SO4. The number of needed molecules depends on the chosen
5190	!-- nucleation type and it has an effect also on the minimum ratio of the molecules present.
5191	IF ( pc_sa * znsa + pc_ocnv * znoc < 1.E-14_wp ) THEN
5192	pxsa = 0.0_wp
5193	pxocnv = 0.0_wp
5194	ELSE
5195	pxsa = pc_sa * znsa / ( pc_sa * znsa + pc_ocnv * znoc )
5196	pxocnv = pc_ocnv * znoc / ( pc_sa * znsa + pc_ocnv * znoc )
5197	ENDIF
5198	ENDIF
5199	!
5200	!-- The change in total vapour concentration is the sum of the concentrations of the vapours taking
5201	!-- part to the nucleation (depends on the chosen nucleation scheme)
5202	zdelta_vap = MIN( zjnuc * ( znoc + znsa ), ( pc_ocnv * zkocnv + pc_sa * zksa ) / ptstep )
5203	!
5204	!-- Nucleation rate J at ~1nm (#/m3s)
5205	zjnuc = zdelta_vap / ( znoc + znsa )
5206	!
5207	!-- H2SO4 concentration after nucleation (#/m3)
5208	zcsa_local = MAX( 1.0_wp, pc_sa - zdelta_vap * pxsa )
5209	!
5210	!-- Non-volative organic vapour concentration after nucleation (#/m3)
5211	zcocnv_local = MAX( 1.0_wp, pc_ocnv - zdelta_vap * pxocnv )
5212	!
5213	!-- 2.2) Formation rate of 3 nm particles (Kerminen & Kulmala, 2002)
5214	!
5215	!-- Growth rate by H2SO4 and organic vapour (nm/h, Eq. 21)
5216	z_gr_clust = 2.3623E-15_wp * SQRT( ptemp ) * ( zcsa_local + zcocnv_local )
5217	!
5218	!-- 2.2.2) Condensational sink of pre-existing particle population
5219	!
5220	!-- Diffusion coefficient (m2/s)
5221	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
5222	!
5223	!-- Mean free path of condensing vapour (m) (Jacobson (2005), Eq. 15.25 and 16.29)
5224	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
5225	!
5226	!-- Knudsen number
5227	zknud = 2.0_wp * zmfp / ( paero(:)%dwet + d_sa )
5228	!
5229	!-- Transitional regime correction factor (zbeta) according to Fuchs and Sutugin (1971) (Eq. 4 in
5230	!-- Kerminen and Kulmala, 2002)
5231	zbeta = ( zknud + 1.0_wp) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
5232	( zknud + zknud**2 ) )
5233	!
5234	!-- Condensational sink (#/m2, Eq. 3)
5235	zcsink = SUM( paero(:)%dwet * zbeta * paero(:)%numc )
5236	!
5237	!-- 2.2.3) Parameterised formation rate of detectable 3 nm particles (i.e. J3)
5238	IF ( nj3 == 1 ) THEN ! Kerminen and Kulmala (2002)
5239	!
5240	!-- Constants needed for the parameterisation: dapp = 3 nm and dens_nuc = 1830 kg/m3
5241	IF ( zcsink < 1.0E-30_wp ) THEN
5242	zeta = 0._dp
5243	ELSE
5244	!
5245	!-- Mean diameter of backgroud population (nm)
5246	zdmean = 1.0_wp / SUM( paero(:)%numc ) * SUM( paero(:)%numc * paero(:)%dwet ) * 1.0E+9_wp
5247	!
5248	!-- Proportionality factor (nm2*m2/h) (Eq. 22)
5249	zgamma = 0.23_wp * ( zdcrit * 1.0E+9_wp )*0.2_wp ( zdmean / 150.0_wp )*0.048_wp &
5250	( ptemp / 293.0_wp )*( -0.75_wp ) ( arhoh2so4 / 1000.0_wp )**( -0.33_wp )
5251	!
5252	!-- Factor eta (nm, Eq. 11)
5253	zeta = MIN( zgamma * zcsink / z_gr_clust, zdcrit * 1.0E11_wp )
5254	ENDIF
5255	!
5256	!-- Number conc. of clusters surviving to 3 nm in a time step (#/m3, Eq.14)
5257	zj3 = zjnuc * EXP( MIN( 0.0_wp, zeta / 3.0_wp - zeta / ( zdcrit * 1.0E9_wp ) ) )
5258
5259	ELSEIF ( nj3 > 1 ) THEN ! Lehtinen et al. (2007) or Anttila et al. (2010)
5260	!
5261	!-- Defining the parameter m (zm_para) for calculating the coagulation sink onto background
5262	!-- particles (Eq. 5&6 in Lehtinen et al. 2007). The growth is investigated between
5263	!-- [d1,reglim(1)] = [zdcrit,3nm] and m = LOG( CoagS_dx / CoagX_zdcrit ) / LOG( reglim / zdcrit )
5264	!-- (Lehtinen et al. 2007, Eq. 6).
5265	!-- The steps for the coagulation sink for reglim = 3nm and zdcrit ~= 1nm are explained in
5266	!-- Kulmala et al. (2001). The particles of diameter zdcrit ~1.14 nm and reglim = 3nm are both
5267	!-- in turn the "number 1" variables (Kulmala et al. 2001).
5268	!-- c = critical (1nm), x = 3nm, 2 = wet or mean droplet
5269	!
5270	!-- Sum of the radii, R12 = R1 + R2 (m) of two particles 1 and 2
5271	z_r_c2 = zdcrit / 2.0_wp + paero(:)%dwet / 2.0_wp
5272	z_r_x2 = reglim(1) / 2.0_wp + paero(:)%dwet / 2.0_wp
5273	!
5274	!-- Particle mass (kg) (comes only from H2SO4)
5275	zm_c = 4.0_wp / 3.0_wp * pi * ( zdcrit / 2.0_wp )*3 arhoh2so4
5276	zm_x = 4.0_wp / 3.0_wp * pi * ( reglim(1) / 2.0_wp )*3 arhoh2so4
5277	zm_2 = 4.0_wp / 3.0_wp * pi * ( 0.5_wp * paero(:)%dwet )*3 arhoh2so4
5278	!
5279	!-- Mean relative thermal velocity between the particles (m/s)
5280	zcv_c = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_c ) )
5281	zcv_x = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_x ) )
5282	zcv_2 = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_2 ) )
5283	!
5284	!-- Average velocity after coagulation
5285	zcv_c2(:) = SQRT( zcv_c2 + zcv_22 )
5286	zcv_x2(:) = SQRT( zcv_x2 + zcv_22 )
5287	!
5288	!-- Knudsen number (zmfp = mean free path of condensing vapour)
5289	zknud_c = 2.0_wp * zmfp / zdcrit
5290	zknud_x = 2.0_wp * zmfp / reglim(1)
5291	zknud_2(:) = MAX( 0.0_wp, 2.0_wp * zmfp / paero(:)%dwet )
5292	!
5293	!-- Cunningham correction factors (Allen and Raabe, 1985)
5294	zcc_c = 1.0_wp + zknud_c * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_c ) )
5295	zcc_x = 1.0_wp + zknud_x * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_x ) )
5296	zcc_2(:) = 1.0_wp + zknud_2(:) * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_2(:) ) )
5297	!
5298	!-- Gas dynamic viscosity (Ns/m2). Here, viscocity(air @20C) = 1.81e-5_dp N/m2 s (Hinds, p. 25)
5299	zmyy = 1.81E-5_wp * ( ptemp / 293.0_wp )**0.74_wp
5300	!
5301	!-- Particle diffusion coefficient (m2/s) (continuum regime)
5302	zdc_c(:) = abo * ptemp * zcc_c / ( 3.0_wp * pi * zmyy * zdcrit )
5303	zdc_x(:) = abo * ptemp * zcc_x / ( 3.0_wp * pi * zmyy * reglim(1) )
5304	zdc_2(:) = abo * ptemp * zcc_2(:) / ( 3.0_wp * pi * zmyy * paero(:)%dwet )
5305	!
5306	!-- D12 = D1+D2 (Seinfield and Pandis, 2nd ed. Eq. 13.38)
5307	zdc_c2 = zdc_c + zdc_2
5308	zdc_x2 = zdc_x + zdc_2
5309	!
5310	!-- zgamma_f = 8*D/pi/zcv (m) for calculating zomega (Fuchs, 1964)
5311	zgamma_f_c = 8.0_wp * zdc_c / pi / zcv_c
5312	zgamma_f_x = 8.0_wp * zdc_x / pi / zcv_x
5313	zgamma_f_2 = 8.0_wp * zdc_2 / pi / zcv_2
5314	!
5315	!-- zomega (m) for calculating zsigma
5316	zomega_c = ( ( z_r_c2 + zgamma_f_c )3 - ( z_r_c2 2 + zgamma_f_c )**1.5_wp ) / &
5317	( 3.0_wp * z_r_c2 * zgamma_f_c ) - z_r_c2
5318	zomega_x = ( ( z_r_x2 + zgamma_f_x )3 - ( z_r_x22 + zgamma_f_x )** 1.5_wp ) / &
5319	( 3.0_wp * z_r_x2 * zgamma_f_x ) - z_r_x2
5320	zomega_2c = ( ( z_r_c2 + zgamma_f_2 )3 - ( z_r_c22 + zgamma_f_2 )**1.5_wp ) / &
5321	( 3.0_wp * z_r_c2 * zgamma_f_2 ) - z_r_c2
5322	zomega_2x = ( ( z_r_x2 + zgamma_f_2 )3 - ( z_r_x22 + zgamma_f_2 )**1.5_wp ) / &
5323	( 3.0_wp * z_r_x2 * zgamma_f_2 ) - z_r_x2
5324	!
5325	!-- The distance (m) at which the two fluxes are matched (condensation and coagulation sinks)
5326	zsigma_c2 = SQRT( zomega_c2 + zomega_2c2 )
5327	zsigma_x2 = SQRT( zomega_x2 + zomega_2x2 )
5328	!
5329	!-- Coagulation coefficient in the continuum regime (m*m2/s, Eq. 17 in Kulmala et al., 2001)
5330	z_k_c2 = 4.0_wp * pi * z_r_c2 * zdc_c2 / ( z_r_c2 / ( z_r_c2 + zsigma_c2 ) + &
5331	4.0_wp * zdc_c2 / ( zcv_c2 * z_r_c2 ) )
5332	z_k_x2 = 4.0_wp * pi * z_r_x2 * zdc_x2 / ( z_r_x2 / ( z_r_x2 + zsigma_x2 ) + &
5333	4.0_wp * zdc_x2 / ( zcv_x2 * z_r_x2 ) )
5334	!
5335	!-- Coagulation sink (1/s, Eq. 16 in Kulmala et al., 2001)
5336	zcoags_c = MAX( 1.0E-20_wp, SUM( z_k_c2 * paero(:)%numc ) )
5337	zcoags_x = MAX( 1.0E-20_wp, SUM( z_k_x2 * paero(:)%numc ) )
5338	!
5339	!-- Parameter m for calculating the coagulation sink onto background particles (Eq. 5&6 in
5340	!-- Lehtinen et al. 2007)
5341	zm_para = LOG( zcoags_x / zcoags_c ) / LOG( reglim(1) / zdcrit )
5342	!
5343	!-- Parameter gamma for calculating the formation rate J of particles having
5344	!-- a diameter zdcrit < d < reglim(1) (Anttila et al. 2010, eq. 5 or Lehtinen et al.,2007, eq. 7)
5345	zgamma = ( ( ( reglim(1) / zdcrit )**( zm_para + 1.0_wp ) ) - 1.0_wp ) / ( zm_para + 1.0_wp )
5346
5347	IF ( nj3 == 2 ) THEN ! Lehtinen et al. (2007): coagulation sink
5348	!
5349	!-- Formation rate J before iteration (#/m3s)
5350	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoags_c / ( z_gr_clust * 1.0E-9_wp / &
5351	60.0_wp**2 ) ) )
5352
5353	ELSEIF ( nj3 == 3 ) THEN ! Anttila et al. (2010): coagulation sink and self-coag.
5354	!
5355	!-- If air is polluted, the self-coagulation becomes important. Self-coagulation of small
5356	!-- particles < 3 nm.
5357	!
5358	!-- "Effective" coagulation coefficient between freshly-nucleated particles:
5359	z_k_eff = 5.0E-16_wp ! m3/s
5360	!
5361	!-- zlambda parameter for "adjusting" the growth rate due to the self-coagulation
5362	zlambda = 6.0_wp
5363
5364	IF ( reglim(1) >= 10.0E-9_wp ) THEN ! for particles >10 nm:
5365	z_k_eff = 5.0E-17_wp
5366	zlambda = 3.0_wp
5367	ENDIF
5368	!
5369	!-- Initial values for coagulation sink and growth rate (m/s)
5370	zcoagstot = zcoags_c
5371	z_gr_tot = z_gr_clust * 1.0E-9_wp / 60.0_wp**2
5372	!
5373	!-- Number of clusters/particles at the size range [d1,dx] (#/m3):
5374	z_n_nuc = zjnuc / zcoagstot !< Initial guess
5375	!
5376	!-- Coagulation sink and growth rate due to self-coagulation:
5377	DO iteration = 1, 5
5378	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s, Anttila et al., eq. 1)
5379	z_gr_tot = z_gr_clust * 2.77777777E-7_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
5380	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 2.77777777E-7_wp ! (Eq. 3)
5381	zeta = - zcoagstot / ( ( zm_para + 1.0_wp ) * z_gr_tot * ( zdcrit**zm_para ) ) ! (Eq.7b)
5382	!
5383	!-- Calculate Eq. 7a (Taylor series for the number of particles between [d1,dx])
5384	z_n_nuc = z_n_nuc_tayl( zdcrit, reglim(1), zm_para, zjnuc, zeta, z_gr_tot )
5385	ENDDO
5386	!
5387	!-- Calculate the final values with new z_n_nuc:
5388	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s)
5389	z_gr_tot = z_gr_clust * 1.0E-9_wp / 3600.0_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
5390	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 1.0E-9_wp / 3600.0_wp !< (m/s)
5391	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoagstot / z_gr_tot ) ) ! (#/m3s, Eq.5a)
5392
5393	ENDIF
5394	ENDIF
5395	!
5396	!-- If J3 very small (< 1 #/cm3), neglect particle formation. In real atmosphere this would mean
5397	!-- that clusters form but coagulate to pre-existing particles who gain sulphate. Since
5398	!-- CoagS ~ CS (4piDCS'), we do not* update H2SO4 concentration here but let condensation take
5399	!-- care of it. Formation mass rate of molecules (molec/m3s) for 1: H2SO4 and 2: organic vapour
5400	pj3n3(1) = zj3 * n3 * pxsa
5401	pj3n3(2) = zj3 * n3 * pxocnv
5402
5403	END SUBROUTINE nucleation
5404
5405	!------------------------------------------------------------------------------!
5406	! Description:
5407	! ------------
5408	!> Calculate the nucleation rate and the size of critical clusters assuming
5409	!> binary nucleation.
5410	!> Parametrisation according to Vehkamaki et al. (2002), J. Geophys. Res.,
5411	!> 107(D22), 4622. Called from subroutine nucleation.
5412	!------------------------------------------------------------------------------!
5413	SUBROUTINE binnucl( pc_sa, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, pk_sa, &
5414	pk_ocnv )
5415
5416	IMPLICIT NONE
5417
5418	REAL(wp) :: za !<
5419	REAL(wp) :: zb !<
5420	REAL(wp) :: zc !<
5421	REAL(wp) :: zcoll !<
5422	REAL(wp) :: zlogsa !< LOG( zpcsa )
5423	REAL(wp) :: zlogrh !< LOG( zrh )
5424	REAL(wp) :: zm1 !<
5425	REAL(wp) :: zm2 !<
5426	REAL(wp) :: zma !<
5427	REAL(wp) :: zmw !<
5428	REAL(wp) :: zntot !< number of molecules in critical cluster
5429	REAL(wp) :: zpcsa !< sulfuric acid concentration
5430	REAL(wp) :: zrh !< relative humidity
5431	REAL(wp) :: zroo !<
5432	REAL(wp) :: zt !< temperature
5433	REAL(wp) :: zv1 !<
5434	REAL(wp) :: zv2 !<
5435	REAL(wp) :: zx !< mole fraction of sulphate in critical cluster
5436	REAL(wp) :: zxmass !<
5437
5438	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
5439	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1
5440	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5441
5442	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5443	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5444	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5445	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
5446	REAL(wp), INTENT(out) :: pk_sa !< Lever: if pk_sa = 1, H2SO4 is involved in nucleation.
5447	REAL(wp), INTENT(out) :: pk_ocnv !< Lever: if pk_ocnv = 1, organic compounds are involved
5448
5449	pnuc_rate = 0.0_wp
5450	pd_crit = 1.0E-9_wp
5451	!
5452	!-- 1) Checking that we are in the validity range of the parameterization
5453	zpcsa = MAX( pc_sa, 1.0E4_wp )
5454	zpcsa = MIN( zpcsa, 1.0E11_wp )
5455	zrh = MAX( prh, 0.0001_wp )
5456	zrh = MIN( zrh, 1.0_wp )
5457	zt = MAX( ptemp, 190.15_wp )
5458	zt = MIN( zt, 300.15_wp )
5459
5460	zlogsa = LOG( zpcsa )
5461	zlogrh = LOG( prh )
5462	!
5463	!-- 2) Mole fraction of sulphate in a critical cluster (Eq. 11)
5464	zx = 0.7409967177282139_wp - 0.002663785665140117_wp * zt + &
5465	0.002010478847383187_wp * zlogrh - 0.0001832894131464668_wp* zt * zlogrh + &
5466	0.001574072538464286_wp * zlogrh*2 - 0.00001790589121766952_wp zt * zlogrh**2 + &
5467	0.0001844027436573778_wp * zlogrh*3 - 1.503452308794887E-6_wp zt * zlogrh**3 - &
5468	0.003499978417957668_wp * zlogsa + 0.0000504021689382576_wp * zt * zlogsa
5469	!
5470	!-- 3) Nucleation rate (Eq. 12)
5471	pnuc_rate = 0.1430901615568665_wp + 2.219563673425199_wp * zt - &
5472	0.02739106114964264_wp * zt*2 + 0.00007228107239317088_wp zt**3 + &
5473	5.91822263375044_wp / zx + 0.1174886643003278_wp * zlogrh + &
5474	0.4625315047693772_wp * zt * zlogrh - 0.01180591129059253_wp * zt*2 zlogrh + &
5475	0.0000404196487152575_wp * zt*3 zlogrh + &
5476	( 15.79628615047088_wp * zlogrh ) / zx - 0.215553951893509_wp * zlogrh**2 - &
5477	0.0810269192332194_wp * zt * zlogrh**2 + &
5478	0.001435808434184642_wp * zt*2 zlogrh**2 - &
5479	4.775796947178588E-6_wp * zt*3 zlogrh**2 - &
5480	( 2.912974063702185_wp * zlogrh*2 ) / zx - 3.588557942822751_wp zlogrh**3 + &
5481	0.04950795302831703_wp * zt * zlogrh**3 - &
5482	0.0002138195118737068_wp * zt*2 zlogrh**3 + &
5483	3.108005107949533E-7_wp * zt*3 zlogrh**3 - &
5484	( 0.02933332747098296_wp * zlogrh*3 ) / zx + 1.145983818561277_wp zlogsa - &
5485	0.6007956227856778_wp * zt * zlogsa + 0.00864244733283759_wp * zt*2 zlogsa - &
5486	0.00002289467254710888_wp * zt*3 zlogsa - &
5487	( 8.44984513869014_wp * zlogsa ) / zx + 2.158548369286559_wp * zlogrh * zlogsa + &
5488	0.0808121412840917_wp * zt * zlogrh * zlogsa - &
5489	0.0004073815255395214_wp * zt*2 zlogrh * zlogsa - &
5490	4.019572560156515E-7_wp * zt*3 zlogrh * zlogsa + &
5491	( 0.7213255852557236_wp * zlogrh * zlogsa ) / zx + &
5492	1.62409850488771_wp * zlogrh*2 zlogsa - &
5493	0.01601062035325362_wp * zt * zlogrh*2 zlogsa + &
5494	0.00003771238979714162_wpzt2 zlogrh*2 zlogsa + &
5495	3.217942606371182E-8_wp * zt*3 zlogrh*2 zlogsa - &
5496	( 0.01132550810022116_wp * zlogrh*2 zlogsa ) / zx + &
5497	9.71681713056504_wp * zlogsa*2 - 0.1150478558347306_wp zt * zlogsa**2 + &
5498	0.0001570982486038294_wp * zt*2 zlogsa**2 + &
5499	4.009144680125015E-7_wp * zt*3 zlogsa**2 + &
5500	( 0.7118597859976135_wp * zlogsa**2 ) / zx - &
5501	1.056105824379897_wp * zlogrh * zlogsa**2 + &
5502	0.00903377584628419_wp * zt * zlogrh * zlogsa**2 - &
5503	0.00001984167387090606_wp * zt*2 zlogrh * zlogsa**2 + &
5504	2.460478196482179E-8_wp * zt*3 zlogrh * zlogsa**2 - &
5505	( 0.05790872906645181_wp * zlogrh * zlogsa**2 ) / zx - &
5506	0.1487119673397459_wp * zlogsa*3 + 0.002835082097822667_wp zt * zlogsa**3 - &
5507	9.24618825471694E-6_wp * zt*2 zlogsa**3 + &
5508	5.004267665960894E-9_wp * zt*3 zlogsa**3 - &
5509	( 0.01270805101481648_wp * zlogsa**3 ) / zx
5510	!
5511	!-- Nucleation rate in #/(cm3 s)
5512	pnuc_rate = EXP( pnuc_rate )
5513	!
5514	!-- Check the validity of parameterization
5515	IF ( pnuc_rate < 1.0E-7_wp ) THEN
5516	pnuc_rate = 0.0_wp
5517	pd_crit = 1.0E-9_wp
5518	ENDIF
5519	!
5520	!-- 4) Total number of molecules in the critical cluster (Eq. 13)
5521	zntot = - 0.002954125078716302_wp - 0.0976834264241286_wp * zt + &
5522	0.001024847927067835_wp * zt*2 - 2.186459697726116E-6_wp zt**3 - &
5523	0.1017165718716887_wp / zx - 0.002050640345231486_wp * zlogrh - &
5524	0.007585041382707174_wp * zt * zlogrh + 0.0001926539658089536_wp * zt*2 zlogrh - &
5525	6.70429719683894E-7_wp * zt*3 zlogrh - ( 0.2557744774673163_wp * zlogrh ) / zx + &
5526	0.003223076552477191_wp * zlogrh*2 + 0.000852636632240633_wp zt * zlogrh**2 - &
5527	0.00001547571354871789_wp * zt*2 zlogrh**2 + &
5528	5.666608424980593E-8_wp * zt*3 zlogrh**2 + &
5529	( 0.03384437400744206_wp * zlogrh**2 ) / zx + &
5530	0.04743226764572505_wp * zlogrh*3 - 0.0006251042204583412_wp zt * zlogrh**3 + &
5531	2.650663328519478E-6_wp * zt*2 zlogrh**3 - &
5532	3.674710848763778E-9_wp * zt*3 zlogrh**3 - &
5533	( 0.0002672510825259393_wp * zlogrh*3 ) / zx - 0.01252108546759328_wp zlogsa + &
5534	0.005806550506277202_wp * zt * zlogsa - 0.0001016735312443444_wp * zt*2 zlogsa + &
5535	2.881946187214505E-7_wp * zt*3 zlogsa + ( 0.0942243379396279_wp * zlogsa ) / zx - &
5536	0.0385459592773097_wp * zlogrh * zlogsa - &
5537	0.0006723156277391984_wp * zt * zlogrh * zlogsa + &
5538	2.602884877659698E-6_wp * zt*2 zlogrh * zlogsa + &
5539	1.194163699688297E-8_wp * zt*3 zlogrh * zlogsa - &
5540	( 0.00851515345806281_wp * zlogrh * zlogsa ) / zx - &
5541	0.01837488495738111_wp * zlogrh*2 zlogsa + &
5542	0.0001720723574407498_wp * zt * zlogrh*2 zlogsa - &
5543	3.717657974086814E-7_wp * zt*2 zlogrh*2 zlogsa - &
5544	5.148746022615196E-10_wp * zt*3 zlogrh*2 zlogsa + &
5545	( 0.0002686602132926594_wp * zlogrh*2 zlogsa ) / zx - &
5546	0.06199739728812199_wp * zlogsa*2 + 0.000906958053583576_wp zt * zlogsa**2 - &
5547	9.11727926129757E-7_wp * zt*2 zlogsa**2 - &
5548	5.367963396508457E-9_wp * zt*3 zlogsa**2 - &
5549	( 0.007742343393937707_wp * zlogsa**2 ) / zx + &
5550	0.0121827103101659_wp * zlogrh * zlogsa**2 - &
5551	0.0001066499571188091_wp * zt * zlogrh * zlogsa**2 + &
5552	2.534598655067518E-7_wp * zt*2 zlogrh * zlogsa**2 - &
5553	3.635186504599571E-10_wp * zt*3 zlogrh * zlogsa**2 + &
5554	( 0.0006100650851863252_wp * zlogrh * zlogsa **2 ) / zx + &
5555	0.0003201836700403512_wp * zlogsa*3 - 0.0000174761713262546_wp zt * zlogsa**3 + &
5556	6.065037668052182E-8_wp * zt*2 zlogsa**3 - &
5557	1.421771723004557E-11_wp * zt*3 zlogsa**3 + &
5558	( 0.0001357509859501723_wp * zlogsa**3 ) / zx
5559	zntot = EXP( zntot ) ! in #
5560	!
5561	!-- 5) Size of the critical cluster pd_crit (m) (diameter) (Eq. 14)
5562	pn_crit_sa = zx * zntot
5563	pd_crit = 2.0E-9_wp * EXP( -1.6524245_wp + 0.42316402_wp * zx + 0.33466487_wp * LOG( zntot ) )
5564	!
5565	!-- 6) Organic compounds not involved when binary nucleation is assumed
5566	pn_crit_ocnv = 0.0_wp ! number of organic molecules
5567	pk_sa = 1.0_wp ! if = 1, H2SO4 involved in nucleation
5568	pk_ocnv = 0.0_wp ! if = 1, organic compounds involved
5569	!
5570	!-- Set nucleation rate to collision rate
5571	IF ( pn_crit_sa < 4.0_wp ) THEN
5572	!
5573	!-- Volumes of the colliding objects
5574	zma = 96.0_wp ! molar mass of SO4 in g/mol
5575	zmw = 18.0_wp ! molar mass of water in g/mol
5576	zxmass = 1.0_wp ! mass fraction of H2SO4
5577	za = 0.7681724_wp + zxmass * ( 2.1847140_wp + zxmass * &
5578	( 7.1630022_wp + zxmass * &
5579	( -44.31447_wp + zxmass * &
5580	( 88.75606 + zxmass * &
5581	( -75.73729_wp + zxmass * 23.43228_wp ) ) ) ) )
5582	zb = 1.808225E-3_wp + zxmass * ( -9.294656E-3_wp + zxmass * &
5583	( -0.03742148_wp + zxmass * &
5584	( 0.2565321_wp + zxmass * &
5585	( -0.5362872_wp + zxmass * &
5586	( 0.4857736 - zxmass * 0.1629592_wp ) ) ) ) )
5587	zc = - 3.478524E-6_wp + zxmass * ( 1.335867E-5_wp + zxmass * &
5588	( 5.195706E-5_wp + zxmass * &
5589	( -3.717636E-4_wp + zxmass * &
5590	( 7.990811E-4_wp + zxmass * &
5591	( -7.458060E-4_wp + zxmass * 2.58139E-4_wp ) ) ) ) )
5592	!
5593	!-- Density for the sulphuric acid solution (Eq. 10 in Vehkamaki)
5594	zroo = ( za + zt * ( zb + zc * zt ) ) * 1.0E+3_wp ! (kg/m^3
5595	zm1 = 0.098_wp ! molar mass of H2SO4 in kg/mol
5596	zm2 = zm1
5597	zv1 = zm1 / avo / zroo ! volume
5598	zv2 = zv1
5599	!
5600	!-- Collision rate
5601	zcoll = zpcsa * zpcsa * ( 3.0_wp * pi / 4.0_wp )*0.16666666_wp &
5602	SQRT( 6.0_wp * argas * zt / zm1 + 6.0_wp * argas * zt / zm2 ) * &
5603	( zv10.33333333_wp + zv20.33333333_wp )*2 1.0E+6_wp ! m3 -> cm3
5604	zcoll = MIN( zcoll, 1.0E+10_wp )
5605	pnuc_rate = zcoll ! (#/(cm3 s))
5606
5607	ELSE
5608	pnuc_rate = MIN( pnuc_rate, 1.0E+10_wp )
5609	ENDIF
5610	pnuc_rate = pnuc_rate * 1.0E+6_wp ! (#/(m3 s))
5611
5612	END SUBROUTINE binnucl
5613
5614	!------------------------------------------------------------------------------!
5615	! Description:
5616	! ------------
5617	!> Calculate the nucleation rate and the size of critical clusters assuming
5618	!> ternary nucleation. Parametrisation according to:
5619	!> Napari et al. (2002), J. Chem. Phys., 116, 4221-4227 and
5620	!> Napari et al. (2002), J. Geophys. Res., 107(D19), AAC 6-1-ACC 6-6.
5621	!------------------------------------------------------------------------------!
5622	SUBROUTINE ternucl( pc_sa, pc_nh3, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, &
5623	pk_sa, pk_ocnv )
5624
5625	IMPLICIT NONE
5626
5627	REAL(wp) :: zlnj !< logarithm of nucleation rate
5628	REAL(wp) :: zlognh3 !< LOG( pc_nh3 )
5629	REAL(wp) :: zlogrh !< LOG( prh )
5630	REAL(wp) :: zlogsa !< LOG( pc_sa )
5631
5632	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia mixing ratio (ppt)
5633	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
5634	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
5635	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5636
5637	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
5638	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5639	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5640	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5641	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5642	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5643	!
5644	!-- 1) Checking that we are in the validity range of the parameterization.
5645	!-- Validity of parameterization : DO NOT REMOVE!
5646	IF ( ptemp < 240.0_wp .OR. ptemp > 300.0_wp ) THEN
5647	message_string = 'Invalid input value: ptemp'
5648	CALL message( 'salsa_mod: ternucl', 'PA0648', 1, 2, 0, 6, 0 )
5649	ENDIF
5650	IF ( prh < 0.05_wp .OR. prh > 0.95_wp ) THEN
5651	message_string = 'Invalid input value: prh'
5652	CALL message( 'salsa_mod: ternucl', 'PA0649', 1, 2, 0, 6, 0 )
5653	ENDIF
5654	IF ( pc_sa < 1.0E+4_wp .OR. pc_sa > 1.0E+9_wp ) THEN
5655	message_string = 'Invalid input value: pc_sa'
5656	CALL message( 'salsa_mod: ternucl', 'PA0650', 1, 2, 0, 6, 0 )
5657	ENDIF
5658	IF ( pc_nh3 < 0.1_wp .OR. pc_nh3 > 100.0_wp ) THEN
5659	message_string = 'Invalid input value: pc_nh3'
5660	CALL message( 'salsa_mod: ternucl', 'PA0651', 1, 2, 0, 6, 0 )
5661	ENDIF
5662
5663	zlognh3 = LOG( pc_nh3 )
5664	zlogrh = LOG( prh )
5665	zlogsa = LOG( pc_sa )
5666	!
5667	!-- 2) Nucleation rate (Eq. 7 in Napari et al., 2002: Parameterization of
5668	!-- ternary nucleation of sulfuric acid - ammonia - water.
5669	zlnj = - 84.7551114741543_wp + 0.3117595133628944_wp * prh + &
5670	1.640089605712946_wp * prh * ptemp - 0.003438516933381083_wp * prh * ptemp**2 - &
5671	0.00001097530402419113_wp * prh * ptemp**3 - 0.3552967070274677_wp / zlogsa - &
5672	( 0.06651397829765026_wp * prh ) / zlogsa - ( 33.84493989762471_wp * ptemp ) / zlogsa - &
5673	( 7.823815852128623_wp * prh * ptemp ) / zlogsa + &
5674	( 0.3453602302090915_wp * ptemp**2 ) / zlogsa + &
5675	( 0.01229375748100015_wp * prh * ptemp**2 ) / zlogsa - &
5676	( 0.000824007160514956_wp ptemp*3 ) / zlogsa + &
5677	( 0.00006185539100670249_wp * prh * ptemp**3 ) / zlogsa + &
5678	3.137345238574998_wp * zlogsa + 3.680240980277051_wp * prh * zlogsa - &
5679	0.7728606202085936_wp * ptemp * zlogsa - 0.204098217156962_wp * prh * ptemp * zlogsa + &
5680	0.005612037586790018_wp * ptemp*2 zlogsa + &
5681	0.001062588391907444_wp * prh * ptemp*2 zlogsa - &
5682	9.74575691760229E-6_wp * ptemp*3 zlogsa - &
5683	1.265595265137352E-6_wp * prh * ptemp*3 zlogsa + 19.03593713032114_wp * zlogsa**2 - &
5684	0.1709570721236754_wp * ptemp * zlogsa**2 + &
5685	0.000479808018162089_wp * ptemp*2 zlogsa**2 - &
5686	4.146989369117246E-7_wp * ptemp*3 zlogsa*2 + 1.076046750412183_wp zlognh3 + &
5687	0.6587399318567337_wp * prh * zlognh3 + 1.48932164750748_wp * ptemp * zlognh3 + &
5688	0.1905424394695381_wp * prh * ptemp * zlognh3 - &
5689	0.007960522921316015_wp * ptemp*2 zlognh3 - &
5690	0.001657184248661241_wp * prh * ptemp*2 zlognh3 + &
5691	7.612287245047392E-6_wp * ptemp*3 zlognh3 + &
5692	3.417436525881869E-6_wp * prh * ptemp*3 zlognh3 + &
5693	( 0.1655358260404061_wp * zlognh3 ) / zlogsa + &
5694	( 0.05301667612522116_wp * prh * zlognh3 ) / zlogsa + &
5695	( 3.26622914116752_wp * ptemp * zlognh3 ) / zlogsa - &
5696	( 1.988145079742164_wp * prh * ptemp * zlognh3 ) / zlogsa - &
5697	( 0.04897027401984064_wp * ptemp*2 zlognh3 ) / zlogsa + &
5698	( 0.01578269253599732_wp * prh * ptemp*2 zlognh3 ) / zlogsa + &
5699	( 0.0001469672236351303_wp * ptemp*3 zlognh3 ) / zlogsa - &
5700	( 0.00002935642836387197_wp * prh * ptemp*3 zlognh3 ) / zlogsa + &
5701	6.526451177887659_wp * zlogsa * zlognh3 - &
5702	0.2580021816722099_wp * ptemp * zlogsa * zlognh3 + &
5703	0.001434563104474292_wp * ptemp*2 zlogsa * zlognh3 - &
5704	2.020361939304473E-6_wp * ptemp*3 zlogsa * zlognh3 - &
5705	0.160335824596627_wp * zlogsa*2 zlognh3 + &
5706	0.00889880721460806_wp * ptemp * zlogsa*2 zlognh3 - &
5707	0.00005395139051155007_wp * ptemp*2 zlogsa*2 zlognh3 + &
5708	8.39521718689596E-8_wp * ptemp*3 zlogsa*2 zlognh3 + &
5709	6.091597586754857_wp * zlognh3*2 + 8.5786763679309_wp prh * zlognh3**2 - &
5710	1.253783854872055_wp * ptemp * zlognh3**2 - &
5711	0.1123577232346848_wp * prh * ptemp * zlognh3**2 + &
5712	0.00939835595219825_wp * ptemp*2 zlognh3**2 + &
5713	0.0004726256283031513_wp * prh * ptemp*2 zlognh3**2 - &
5714	0.00001749269360523252_wp * ptemp*3 zlognh3**2 - &
5715	6.483647863710339E-7_wp * prh * ptemp*3 zlognh3**2 + &
5716	( 0.7284285726576598_wp * zlognh3**2 ) / zlogsa + &
5717	( 3.647355600846383_wp * ptemp * zlognh3**2 ) / zlogsa - &
5718	( 0.02742195276078021_wp * ptemp*2 zlognh3**2 ) / zlogsa + &
5719	( 0.00004934777934047135_wp * ptemp*3 zlognh3**2 ) / zlogsa + &
5720	41.30162491567873_wp * zlogsa * zlognh3**2 - &
5721	0.357520416800604_wp * ptemp * zlogsa * zlognh3**2 + &
5722	0.000904383005178356_wp * ptemp*2 zlogsa * zlognh3**2 - &
5723	5.737876676408978E-7_wp * ptemp*3 zlogsa * zlognh3**2 - &
5724	2.327363918851818_wp * zlogsa*2 zlognh3**2 + &
5725	0.02346464261919324_wp * ptemp * zlogsa*2 zlognh3**2 - &
5726	0.000076518969516405_wp * ptemp*2 zlogsa*2 zlognh3**2 + &
5727	8.04589834836395E-8_wp * ptemp*3 zlogsa*2 zlognh3**2 - &
5728	0.02007379204248076_wp * zlogrh - 0.7521152446208771_wp * ptemp * zlogrh + &
5729	0.005258130151226247_wp * ptemp*2 zlogrh - &
5730	8.98037634284419E-6_wp * ptemp*3 zlogrh + &
5731	( 0.05993213079516759_wp * zlogrh ) / zlogsa + &
5732	( 5.964746463184173_wp * ptemp * zlogrh ) / zlogsa - &
5733	( 0.03624322255690942_wp * ptemp*2 zlogrh ) / zlogsa + &
5734	( 0.00004933369382462509_wp * ptemp*3 zlogrh ) / zlogsa - &
5735	0.7327310805365114_wp * zlognh3 * zlogrh - &
5736	0.01841792282958795_wp * ptemp * zlognh3 * zlogrh + &
5737	0.0001471855981005184_wp * ptemp*2 zlognh3 * zlogrh - &
5738	2.377113195631848E-7_wp * ptemp*3 zlognh3 * zlogrh
5739	pnuc_rate = EXP( zlnj ) ! (#/(cm3 s))
5740	!
5741	!-- Check validity of parametrization
5742	IF ( pnuc_rate < 1.0E-5_wp ) THEN
5743	pnuc_rate = 0.0_wp
5744	pd_crit = 1.0E-9_wp
5745	ELSEIF ( pnuc_rate > 1.0E6_wp ) THEN
5746	message_string = 'Invalid output value: nucleation rate > 10^6 1/cm3s'
5747	CALL message( 'salsa_mod: ternucl', 'PA0623', 1, 2, 0, 6, 0 )
5748	ENDIF
5749	pnuc_rate = pnuc_rate * 1.0E6_wp ! (#/(m3 s))
5750	!
5751	!-- 3) Number of H2SO4 molecules in a critical cluster (Eq. 9)
5752	pn_crit_sa = 38.16448247950508_wp + 0.7741058259731187_wp * zlnj + &
5753	0.002988789927230632_wp * zlnj*2 - 0.3576046920535017_wp ptemp - &
5754	0.003663583011953248_wp * zlnj * ptemp + 0.000855300153372776_wp * ptemp**2
5755	!
5756	!-- Kinetic limit: at least 2 H2SO4 molecules in a cluster
5757	pn_crit_sa = MAX( pn_crit_sa, 2.0E0_wp )
5758	!
5759	!-- 4) Size of the critical cluster in nm (Eq. 12)
5760	pd_crit = 0.1410271086638381_wp - 0.001226253898894878_wp * zlnj - &
5761	7.822111731550752E-6_wp * zlnj*2 - 0.001567273351921166_wp ptemp - &
5762	0.00003075996088273962_wp * zlnj * ptemp + 0.00001083754117202233_wp * ptemp**2
5763	pd_crit = pd_crit * 2.0E-9_wp ! Diameter in m
5764	!
5765	!-- 5) Organic compounds not involved when ternary nucleation assumed
5766	pn_crit_ocnv = 0.0_wp
5767	pk_sa = 1.0_wp
5768	pk_ocnv = 0.0_wp
5769
5770	END SUBROUTINE ternucl
5771
5772	!------------------------------------------------------------------------------!
5773	! Description:
5774	! ------------
5775	!> Function z_n_nuc_tayl is connected to the calculation of self-coagualtion of
5776	!> small particles. It calculates number of the particles in the size range
5777	!> [zdcrit,dx] using Taylor-expansion (please note that the expansion is not
5778	!> valid for certain rational numbers, e.g. -4/3 and -3/2)
5779	!------------------------------------------------------------------------------!
5780	FUNCTION z_n_nuc_tayl( d1, dx, zm_para, zjnuc_t, zeta, z_gr_tot )
5781
5782	IMPLICIT NONE
5783
5784	INTEGER(iwp) :: i !< running index
5785
5786	REAL(wp) :: d1 !< lower diameter limit
5787	REAL(wp) :: dx !< upper diameter limit
5788	REAL(wp) :: zjnuc_t !< initial nucleation rate (1/s)
5789	REAL(wp) :: zeta !< ratio of CS/GR (m) (condensation sink / growth rate)
5790	REAL(wp) :: term1 !<
5791	REAL(wp) :: term2 !<
5792	REAL(wp) :: term3 !<
5793	REAL(wp) :: term4 !<
5794	REAL(wp) :: term5 !<
5795	REAL(wp) :: z_n_nuc_tayl !< final nucleation rate (1/s)
5796	REAL(wp) :: z_gr_tot !< total growth rate (nm/h)
5797	REAL(wp) :: zm_para !< m parameter in Lehtinen et al. (2007), Eq. 6
5798
5799	z_n_nuc_tayl = 0.0_wp
5800
5801	DO i = 0, 29
5802	IF ( i == 0 .OR. i == 1 ) THEN
5803	term1 = 1.0_wp
5804	ELSE
5805	term1 = term1 * REAL( i, SELECTED_REAL_KIND(12,307) )
5806	END IF
5807	term2 = ( REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp ) * term1
5808	term3 = zeta**i
5809	term4 = term3 / term2
5810	term5 = REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp
5811	z_n_nuc_tayl = z_n_nuc_tayl + term4 * ( dxterm5 - d1term5 )
5812	ENDDO
5813	z_n_nuc_tayl = z_n_nuc_tayl * zjnuc_t * EXP( -zeta * ( d1**( zm_para + 1 ) ) ) / z_gr_tot
5814
5815	END FUNCTION z_n_nuc_tayl
5816
5817	!------------------------------------------------------------------------------!
5818	! Description:
5819	! ------------
5820	!> Calculates the condensation of water vapour on aerosol particles. Follows the
5821	!> analytical predictor method by Jacobson (2005).
5822	!> For equations, see Jacobson (2005), Fundamentals of atmospheric modelling
5823	!> (2nd edition).
5824	!------------------------------------------------------------------------------!
5825	SUBROUTINE gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
5826
5827	IMPLICIT NONE
5828
5829	INTEGER(iwp) :: ib !< loop index
5830	INTEGER(iwp) :: nstr !<
5831
5832	REAL(wp) :: adt !< internal timestep in this subroutine
5833	REAL(wp) :: rhoair !< air density (kg/m3)
5834	REAL(wp) :: ttot !< total time (s)
5835	REAL(wp) :: zact !< Water activity
5836	REAL(wp) :: zaelwc1 !< Current aerosol water content (kg/m3)
5837	REAL(wp) :: zaelwc2 !< New aerosol water content after equilibrium calculation (kg/m3)
5838	REAL(wp) :: zbeta !< Transitional correction factor
5839	REAL(wp) :: zcwc !< Current water vapour mole concentration in aerosols (mol/m3)
5840	REAL(wp) :: zcwint !< Current and new water vapour mole concentrations (mol/m3)
5841	REAL(wp) :: zcwn !< New water vapour mole concentration (mol/m3)
5842	REAL(wp) :: zcwtot !< Total water mole concentration (mol/m3)
5843	REAL(wp) :: zdfh2o !< molecular diffusion coefficient (cm2/s) for water
5844	REAL(wp) :: zhlp1 !< intermediate variable to calculate the mass transfer coefficient
5845	REAL(wp) :: zhlp2 !< intermediate variable to calculate the mass transfer coefficient
5846	REAL(wp) :: zhlp3 !< intermediate variable to calculate the mass transfer coefficient
5847	REAL(wp) :: zknud !< Knudsen number
5848	REAL(wp) :: zmfph2o !< mean free path of H2O gas molecule
5849	REAL(wp) :: zrh !< relative humidity [0-1]
5850	REAL(wp) :: zthcond !< thermal conductivity of air (W/m/K)
5851
5852	REAL(wp), DIMENSION(nbins_aerosol) :: zcwcae !< Current water mole concentrations
5853	REAL(wp), DIMENSION(nbins_aerosol) :: zcwintae !< Current and new aerosol water mole concentration
5854	REAL(wp), DIMENSION(nbins_aerosol) :: zcwnae !< New water mole concentration in aerosols
5855	REAL(wp), DIMENSION(nbins_aerosol) :: zcwsurfae !< Surface mole concentration
5856	REAL(wp), DIMENSION(nbins_aerosol) :: zkelvin !< Kelvin effect
5857	REAL(wp), DIMENSION(nbins_aerosol) :: zmtae !< Mass transfer coefficients
5858	REAL(wp), DIMENSION(nbins_aerosol) :: zwsatae !< Water saturation ratio above aerosols
5859
5860	REAL(wp), INTENT(in) :: ppres !< Air pressure (Pa)
5861	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
5862	REAL(wp), INTENT(in) :: ptemp !< Ambient temperature (K)
5863	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
5864
5865	REAL(wp), INTENT(inout) :: pcw !< Water vapour concentration (kg/m3)
5866
5867	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
5868	!
5869	!-- Relative humidity [0-1]
5870	zrh = pcw / pcs
5871	!
5872	!-- Calculate the condensation only for 2a/2b aerosol bins
5873	nstr = start_subrange_2a
5874	!
5875	!-- Save the current aerosol water content, 8 in paero is H2O
5876	zaelwc1 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5877	!
5878	!-- Equilibration:
5879	IF ( advect_particle_water ) THEN
5880	IF ( zrh < 0.98_wp .OR. .NOT. lscndh2oae ) THEN
5881	CALL equilibration( zrh, ptemp, paero, .TRUE. )
5882	ELSE
5883	CALL equilibration( zrh, ptemp, paero, .FALSE. )
5884	ENDIF
5885	ENDIF
5886	!
5887	!-- The new aerosol water content after equilibrium calculation
5888	zaelwc2 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5889	!
5890	!-- New water vapour mixing ratio (kg/m3)
5891	pcw = pcw - ( zaelwc2 - zaelwc1 ) * ppres * amdair / ( argas * ptemp )
5892	!
5893	!-- Initialise variables
5894	zcwsurfae(:) = 0.0_wp
5895	zhlp1 = 0.0_wp
5896	zhlp2 = 0.0_wp
5897	zhlp3 = 0.0_wp
5898	zmtae(:) = 0.0_wp
5899	zwsatae(:) = 0.0_wp
5900	!
5901	!-- Air:
5902	!-- Density (kg/m3)
5903	rhoair = amdair * ppres / ( argas * ptemp )
5904	!
5905	!-- Thermal conductivity of air
5906	zthcond = 0.023807_wp + 7.1128E-5_wp * ( ptemp - 273.16_wp )
5907	!
5908	!-- Water vapour:
5909	!-- Molecular diffusion coefficient (cm2/s) (eq.16.17)
5910	zdfh2o = ( 5.0_wp / ( 16.0_wp * avo * rhoair * 1.0E-3_wp * 3.11E-8_wp*2 ) ) SQRT( argas * &
5911	1.0E+7_wp * ptemp * amdair * 1.0E+3_wp * ( amh2o + amdair ) * 1.0E+3_wp / &
5912	( pi * amh2o * 2.0E+3_wp ) )
5913	zdfh2o = zdfh2o * 1.0E-4 ! Unit change to m^2/s
5914	!
5915	!-- Mean free path (eq. 15.25 & 16.29)
5916	zmfph2o = 3.0_wp * zdfh2o * SQRT( pi * amh2o / ( 8.0_wp * argas * ptemp ) )
5917	!
5918	!-- Kelvin effect (eq. 16.33)
5919	zkelvin(:) = EXP( 4.0_wp * surfw0 * amh2o / ( argas * ptemp * arhoh2o * paero(:)%dwet) )
5920
5921	DO ib = 1, nbins_aerosol
5922	IF ( paero(ib)%numc > nclim .AND. zrh > 0.98_wp ) THEN
5923	!
5924	!-- Water activity
5925	zact = acth2o( paero(ib) )
5926	!
5927	!-- Saturation mole concentration over flat surface. Limit the super-
5928	!-- saturation to max 1.01 for the mass transfer. Experimental!
5929	zcwsurfae(ib) = MAX( pcs, pcw / 1.01_wp ) * rhoair / amh2o
5930	!
5931	!-- Equilibrium saturation ratio
5932	zwsatae(ib) = zact * zkelvin(ib)
5933	!
5934	!-- Knudsen number (eq. 16.20)
5935	zknud = 2.0_wp * zmfph2o / paero(ib)%dwet
5936	!
5937	!-- Transitional correction factor (Fuks & Sutugin, 1971)
5938	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / &
5939	( 3.0_wp * massacc(ib) ) * ( zknud + zknud**2 ) )
5940	!
5941	!-- Mass transfer of H2O: Eq. 16.64 but here D^eff = zdfh2o * zbeta
5942	zhlp1 = paero(ib)%numc * 2.0_wp * pi * paero(ib)%dwet * zdfh2o * zbeta
5943	!
5944	!-- 1st term on the left side of the denominator in eq. 16.55
5945	zhlp2 = amh2o * zdfh2o * alv * zwsatae(ib) * zcwsurfae(ib) / ( zthcond * ptemp )
5946	!
5947	!-- 2nd term on the left side of the denominator in eq. 16.55
5948	zhlp3 = ( ( alv * amh2o ) / ( argas * ptemp ) ) - 1.0_wp
5949	!
5950	!-- Full eq. 16.64: Mass transfer coefficient (1/s)
5951	zmtae(ib) = zhlp1 / ( zhlp2 * zhlp3 + 1.0_wp )
5952	ENDIF
5953	ENDDO
5954	!
5955	!-- Current mole concentrations of water
5956	zcwc = pcw * rhoair / amh2o ! as vapour
5957	zcwcae(:) = paero(:)%volc(8) * arhoh2o / amh2o ! in aerosols
5958	zcwtot = zcwc + SUM( zcwcae ) ! total water concentration
5959	zcwnae(:) = 0.0_wp
5960	zcwintae(:) = zcwcae(:)
5961	!
5962	!-- Substepping loop
5963	zcwint = 0.0_wp
5964	ttot = 0.0_wp
5965	DO WHILE ( ttot < ptstep )
5966	adt = 2.0E-2_wp ! internal timestep
5967	!
5968	!-- New vapour concentration: (eq. 16.71)
5969	zhlp1 = zcwc + adt * ( SUM( zmtae(nstr:nbins_aerosol) * zwsatae(nstr:nbins_aerosol) * &
5970	zcwsurfae(nstr:nbins_aerosol) ) ) ! numerator
5971	zhlp2 = 1.0_wp + adt * ( SUM( zmtae(nstr:nbins_aerosol) ) ) ! denomin.
5972	zcwint = zhlp1 / zhlp2 ! new vapour concentration
5973	zcwint = MIN( zcwint, zcwtot )
5974	IF ( ANY( paero(:)%numc > nclim ) .AND. zrh > 0.98_wp ) THEN
5975	DO ib = nstr, nbins_aerosol
5976	zcwintae(ib) = zcwcae(ib) + MIN( MAX( adt * zmtae(ib) * ( zcwint - zwsatae(ib) * &
5977	zcwsurfae(ib) ), -0.02_wp * zcwcae(ib) ), &
5978	0.05_wp * zcwcae(ib) )
5979	zwsatae(ib) = acth2o( paero(ib), zcwintae(ib) ) * zkelvin(ib)
5980	ENDDO
5981	ENDIF
5982	zcwintae(nstr:nbins_aerosol) = MAX( zcwintae(nstr:nbins_aerosol), 0.0_wp )
5983	!
5984	!-- Update vapour concentration for consistency
5985	zcwint = zcwtot - SUM( zcwintae(1:nbins_aerosol) )
5986	!
5987	!-- Update "old" values for next cycle
5988	zcwcae = zcwintae
5989
5990	ttot = ttot + adt
5991
5992	ENDDO ! ADT
5993
5994	zcwn = zcwint
5995	zcwnae(:) = zcwintae(:)
5996	pcw = zcwn * amh2o / rhoair
5997	paero(:)%volc(8) = MAX( 0.0_wp, zcwnae(:) * amh2o / arhoh2o )
5998
5999	END SUBROUTINE gpparth2o
6000
6001	!------------------------------------------------------------------------------!
6002	! Description:
6003	! ------------
6004	!> Calculates the activity coefficient of liquid water
6005	!------------------------------------------------------------------------------!
6006	REAL(wp) FUNCTION acth2o( ppart, pcw )
6007
6008	IMPLICIT NONE
6009
6010	REAL(wp) :: zns !< molar concentration of solutes (mol/m3)
6011	REAL(wp) :: znw !< molar concentration of water (mol/m3)
6012
6013	REAL(wp), INTENT(in), OPTIONAL :: pcw !< molar concentration of water (mol/m3)
6014
6015	TYPE(t_section), INTENT(in) :: ppart !< Aerosol properties of a bin
6016
6017	zns = ( 3.0_wp * ( ppart%volc(1) * arhoh2so4 / amh2so4 ) + ( ppart%volc(2) * arhooc / amoc ) + &
6018	2.0_wp * ( ppart%volc(5) * arhoss / amss ) + ( ppart%volc(6) * arhohno3 / amhno3 ) + &
6019	( ppart%volc(7) * arhonh3 / amnh3 ) )
6020
6021	IF ( PRESENT(pcw) ) THEN
6022	znw = pcw
6023	ELSE
6024	znw = ppart%volc(8) * arhoh2o / amh2o
6025	ENDIF
6026	!
6027	!-- Activity = partial pressure of water vapour / sat. vapour pressure of water over a liquid surface
6028	!-- = molality * activity coefficient (Jacobson, 2005: eq. 17.20-21)
6029	!-- Assume activity coefficient of 1 for water
6030	acth2o = MAX( 0.1_wp, znw / MAX( EPSILON( 1.0_wp ),( znw + zns ) ) )
6031
6032	END FUNCTION acth2o
6033
6034	!------------------------------------------------------------------------------!
6035	! Description:
6036	! ------------
6037	!> Calculates the dissolutional growth of particles (i.e. gas transfers to a
6038	!> particle surface and dissolves in liquid water on the surface). Treated here
6039	!> as a non-equilibrium (time-dependent) process. Gases: HNO3 and NH3
6040	!> (Chapter 17.14 in Jacobson, 2005).
6041	!
6042	!> Called from subroutine condensation.
6043	!> Coded by:
6044	!> Harri Kokkola (FMI)
6045	!------------------------------------------------------------------------------!
6046	SUBROUTINE gpparthno3( ppres, ptemp, paero, pghno3, pgnh3, pcw, pcs, pbeta, ptstep )
6047
6048	IMPLICIT NONE
6049
6050	INTEGER(iwp) :: ib !< loop index
6051
6052	REAL(wp) :: adt !< timestep
6053	REAL(wp) :: zc_nh3_c !< Current NH3 gas concentration
6054	REAL(wp) :: zc_nh3_int !< Intermediate NH3 gas concentration
6055	REAL(wp) :: zc_nh3_n !< New NH3 gas concentration
6056	REAL(wp) :: zc_nh3_tot !< Total NH3 concentration
6057	REAL(wp) :: zc_hno3_c !< Current HNO3 gas concentration
6058	REAL(wp) :: zc_hno3_int !< Intermediate HNO3 gas concentration
6059	REAL(wp) :: zc_hno3_n !< New HNO3 gas concentration
6060	REAL(wp) :: zc_hno3_tot !< Total HNO3 concentration
6061	REAL(wp) :: zdfvap !< Diffusion coefficient for vapors
6062	REAL(wp) :: zhlp1 !< intermediate variable
6063	REAL(wp) :: zhlp2 !< intermediate variable
6064	REAL(wp) :: zrh !< relative humidity
6065
6066	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
6067	REAL(wp), INTENT(in) :: pcs !< water vapour saturation
6068	!< concentration (kg/m3)
6069	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6070	REAL(wp), INTENT(in) :: ptstep !< time step (s)
6071
6072	REAL(wp), INTENT(inout) :: pghno3 !< nitric acid concentration (#/m3)
6073	REAL(wp), INTENT(inout) :: pgnh3 !< ammonia conc. (#/m3)
6074	REAL(wp), INTENT(inout) :: pcw !< water vapour concentration (kg/m3)
6075
6076	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hno3_ae !< Activity coefficients for HNO3
6077	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hhso4_ae !< Activity coefficients for HHSO4
6078	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh3_ae !< Activity coefficients for NH3
6079	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh4hso2_ae !< Activity coefficients for NH4HSO2
6080	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_hno3_eq_ae !< Equilibrium gas concentration: HNO3
6081	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_nh3_eq_ae !< Equilibrium gas concentration: NH3
6082	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_int_ae !< Intermediate HNO3 aerosol concentration
6083	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_c_ae !< Current HNO3 in aerosols
6084	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_n_ae !< New HNO3 in aerosols
6085	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_int_ae !< Intermediate NH3 aerosol concentration
6086	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_c_ae !< Current NH3 in aerosols
6087	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_n_ae !< New NH3 in aerosols
6088	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_hno3_ae !< Kelvin effect for HNO3
6089	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_nh3_ae !< Kelvin effects for NH3
6090	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_hno3_ae !< Mass transfer coefficients for HNO3
6091	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_nh3_ae !< Mass transfer coefficients for NH3
6092	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_hno3_ae !< HNO3 saturation ratio over a surface
6093	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_nh3_ae !< NH3 saturation ratio over a surface
6094
6095	REAL(wp), DIMENSION(nbins_aerosol,maxspec) :: zion_mols !< Ion molalities from pdfite aerosols
6096
6097	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pbeta !< transitional correction factor for
6098
6099	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
6100	!
6101	!-- Initialise:
6102	adt = ptstep
6103	zac_hhso4_ae = 0.0_wp
6104	zac_nh3_ae = 0.0_wp
6105	zac_nh4hso2_ae = 0.0_wp
6106	zac_hno3_ae = 0.0_wp
6107	zcg_nh3_eq_ae = 0.0_wp
6108	zcg_hno3_eq_ae = 0.0_wp
6109	zion_mols = 0.0_wp
6110	zsat_nh3_ae = 1.0_wp
6111	zsat_hno3_ae = 1.0_wp
6112	!
6113	!-- Diffusion coefficient (m2/s)
6114	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
6115	!
6116	!-- Kelvin effects (Jacobson (2005), eq. 16.33)
6117	zkel_hno3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvhno3 / &
6118	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
6119	zkel_nh3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvnh3 / &
6120	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
6121	!
6122	!-- Current vapour mole concentrations (mol/m3)
6123	zc_hno3_c = pghno3 / avo ! HNO3
6124	zc_nh3_c = pgnh3 / avo ! NH3
6125	!
6126	!-- Current particle mole concentrations (mol/m3)
6127	zc_hno3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(6) * arhohno3 / amhno3
6128	zc_nh3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(7) * arhonh3 / amnh3
6129	!
6130	!-- Total mole concentrations: gas and particle phase
6131	zc_hno3_tot = zc_hno3_c + SUM( zc_hno3_c_ae(1:nbins_aerosol) )
6132	zc_nh3_tot = zc_nh3_c + SUM( zc_nh3_c_ae(1:nbins_aerosol) )
6133	!
6134	!-- Relative humidity [0-1]
6135	zrh = pcw / pcs
6136	!
6137	!-- Mass transfer coefficients (Jacobson, Eq. 16.64)
6138	zmt_hno3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
6139	zmt_nh3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
6140
6141	!
6142	!-- Get the equilibrium concentrations above aerosols
6143	CALL nitrate_ammonium_equilibrium( zrh, ptemp, paero, zcg_hno3_eq_ae, zcg_nh3_eq_ae, &
6144	zac_hno3_ae, zac_nh3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
6145	zion_mols )
6146	!
6147	!-- Calculate NH3 and HNO3 saturation ratios for aerosols
6148	CALL nitrate_ammonium_saturation( ptemp, paero, zac_hno3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
6149	zcg_hno3_eq_ae, zc_hno3_c_ae, zc_nh3_c_ae, zkel_hno3_ae, &
6150	zkel_nh3_ae, zsat_hno3_ae, zsat_nh3_ae )
6151	!
6152	!-- Intermediate gas concentrations of HNO3 and NH3
6153	zhlp1 = SUM( zc_hno3_c_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
6154	zhlp2 = SUM( zmt_hno3_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
6155	zc_hno3_int = ( zc_hno3_tot - zhlp1 ) / ( 1.0_wp + adt * zhlp2 )
6156
6157	zhlp1 = SUM( zc_nh3_c_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
6158	zhlp2 = SUM( zmt_nh3_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
6159	zc_nh3_int = ( zc_nh3_tot - zhlp1 )/( 1.0_wp + adt * zhlp2 )
6160
6161	zc_hno3_int = MIN( zc_hno3_int, zc_hno3_tot )
6162	zc_nh3_int = MIN( zc_nh3_int, zc_nh3_tot )
6163	!
6164	!-- Calculate the new concentration on aerosol particles
6165	zc_hno3_int_ae = zc_hno3_c_ae
6166	zc_nh3_int_ae = zc_nh3_c_ae
6167	DO ib = 1, nbins_aerosol
6168	zc_hno3_int_ae(ib) = ( zc_hno3_c_ae(ib) + adt * zmt_hno3_ae(ib) * zc_hno3_int ) / &
6169	( 1.0_wp + adt * zmt_hno3_ae(ib) * zsat_hno3_ae(ib) )
6170	zc_nh3_int_ae(ib) = ( zc_nh3_c_ae(ib) + adt * zmt_nh3_ae(ib) * zc_nh3_int ) / &
6171	( 1.0_wp + adt * zmt_nh3_ae(ib) * zsat_nh3_ae(ib) )
6172	ENDDO
6173
6174	zc_hno3_int_ae(:) = MAX( zc_hno3_int_ae(:), 0.0_wp )
6175	zc_nh3_int_ae(:) = MAX( zc_nh3_int_ae(:), 0.0_wp )
6176	!
6177	!-- Final molar gas concentration and molar particle concentration of HNO3
6178	zc_hno3_n = zc_hno3_int
6179	zc_hno3_n_ae = zc_hno3_int_ae
6180	!
6181	!-- Final molar gas concentration and molar particle concentration of NH3
6182	zc_nh3_n = zc_nh3_int
6183	zc_nh3_n_ae = zc_nh3_int_ae
6184	!
6185	!-- Model timestep reached - update the gas concentrations
6186	pghno3 = zc_hno3_n * avo
6187	pgnh3 = zc_nh3_n * avo
6188	!
6189	!-- Update the particle concentrations
6190	DO ib = start_subrange_1a, end_subrange_2b
6191	paero(ib)%volc(6) = zc_hno3_n_ae(ib) * amhno3 / arhohno3
6192	paero(ib)%volc(7) = zc_nh3_n_ae(ib) * amnh3 / arhonh3
6193	ENDDO
6194
6195	END SUBROUTINE gpparthno3
6196	!------------------------------------------------------------------------------!
6197	! Description:
6198	! ------------
6199	!> Calculate the equilibrium concentrations above aerosols (reference?)
6200	!------------------------------------------------------------------------------!
6201	SUBROUTINE nitrate_ammonium_equilibrium( prh, ptemp, ppart, pcg_hno3_eq, pcg_nh3_eq, pgamma_hno3, &
6202	pgamma_nh4, pgamma_nh4hso2, pgamma_hhso4, pmols )
6203
6204	IMPLICIT NONE
6205
6206	INTEGER(iwp) :: ib !< loop index: aerosol bins
6207
6208	REAL(wp) :: zhlp !< intermediate variable
6209	REAL(wp) :: zp_hcl !< Equilibrium vapor pressures (Pa) of HCl
6210	REAL(wp) :: zp_hno3 !< Equilibrium vapor pressures (Pa) of HNO3
6211	REAL(wp) :: zp_nh3 !< Equilibrium vapor pressures (Pa) of NH3
6212	REAL(wp) :: zwatertotal !< Total water in particles (mol/m3)
6213
6214	REAL(wp), INTENT(in) :: prh !< relative humidity
6215	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6216
6217	REAL(wp), DIMENSION(maxspec) :: zgammas !< Activity coefficients
6218	REAL(wp), DIMENSION(maxspec) :: zions !< molar concentration of ion (mol/m3)
6219
6220	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_nh3_eq !< equilibrium molar
6221	!< concentration: of NH3
6222	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_hno3_eq !< of HNO3
6223	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hhso4 !< activity coeff. of HHSO4
6224	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4 !< activity coeff. of NH3
6225	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4hso2 !< activity coeff. of NH4HSO2
6226	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hno3 !< activity coeff. of HNO3
6227
6228	REAL(wp), DIMENSION(nbins_aerosol,maxspec), INTENT(inout) :: pmols !< Ion molalities
6229
6230	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
6231
6232	zgammas = 0.0_wp
6233	zhlp = 0.0_wp
6234	zions = 0.0_wp
6235	zp_hcl = 0.0_wp
6236	zp_hno3 = 0.0_wp
6237	zp_nh3 = 0.0_wp
6238	zwatertotal = 0.0_wp
6239
6240	DO ib = 1, nbins_aerosol
6241
6242	IF ( ppart(ib)%numc < nclim ) CYCLE
6243	!
6244	!-- Ion molar concentrations: 2*H2SO4 + CL + NO3 - Na - NH4
6245	zhlp = 2.0_wp * ppart(ib)%volc(1) * arhoh2so4 / amh2so4 + ppart(ib)%volc(5) * arhoss / amss &
6246	+ ppart(ib)%volc(6) * arhohno3 / amhno3 - ppart(ib)%volc(5) * arhoss / amss - &
6247	ppart(ib)%volc(7) * arhonh3 / amnh3
6248
6249	zions(1) = zhlp ! H+
6250	zions(2) = ppart(ib)%volc(7) * arhonh3 / amnh3 ! NH4+
6251	zions(3) = ppart(ib)%volc(5) * arhoss / amss ! Na+
6252	zions(4) = ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ! SO4(2-)
6253	zions(5) = 0.0_wp ! HSO4-
6254	zions(6) = ppart(ib)%volc(6) * arhohno3 / amhno3 ! NO3-
6255	zions(7) = ppart(ib)%volc(5) * arhoss / amss ! Cl-
6256
6257	zwatertotal = ppart(ib)%volc(8) * arhoh2o / amh2o
6258	IF ( zwatertotal > 1.0E-30_wp ) THEN
6259	CALL inorganic_pdfite( prh, ptemp, zions, zwatertotal, zp_hno3, zp_hcl, zp_nh3, zgammas, &
6260	pmols(ib,:) )
6261	ENDIF
6262	!
6263	!-- Activity coefficients
6264	pgamma_hno3(ib) = zgammas(1) ! HNO3
6265	pgamma_nh4(ib) = zgammas(3) ! NH3
6266	pgamma_nh4hso2(ib) = zgammas(6) ! NH4HSO2
6267	pgamma_hhso4(ib) = zgammas(7) ! HHSO4
6268	!
6269	!-- Equilibrium molar concentrations (mol/m3) from equlibrium pressures (Pa)
6270	pcg_hno3_eq(ib) = zp_hno3 / ( argas * ptemp )
6271	pcg_nh3_eq(ib) = zp_nh3 / ( argas * ptemp )
6272
6273	ENDDO
6274
6275	END SUBROUTINE nitrate_ammonium_equilibrium
6276
6277	!------------------------------------------------------------------------------!
6278	! Description:
6279	! ------------
6280	!> Calculate saturation ratios of NH4 and HNO3 for aerosols
6281	!------------------------------------------------------------------------------!
6282	SUBROUTINE nitrate_ammonium_saturation( ptemp, ppart, pachno3, pacnh4hso2, pachhso4, pchno3eq, &
6283	pchno3, pc_nh3, pkelhno3, pkelnh3, psathno3, psatnh3 )
6284
6285	IMPLICIT NONE
6286
6287	INTEGER(iwp) :: ib !< running index for aerosol bins
6288
6289	REAL(wp) :: k_ll_h2o !< equilibrium constants of equilibrium reactions:
6290	!< H2O(aq) <--> H+ + OH- (mol/kg)
6291	REAL(wp) :: k_ll_nh3 !< NH3(aq) + H2O(aq) <--> NH4+ + OH- (mol/kg)
6292	REAL(wp) :: k_gl_nh3 !< NH3(g) <--> NH3(aq) (mol/kg/atm)
6293	REAL(wp) :: k_gl_hno3 !< HNO3(g) <--> H+ + NO3- (mol2/kg2/atm)
6294	REAL(wp) :: zmol_no3 !< molality of NO3- (mol/kg)
6295	REAL(wp) :: zmol_h !< molality of H+ (mol/kg)
6296	REAL(wp) :: zmol_so4 !< molality of SO4(2-) (mol/kg)
6297	REAL(wp) :: zmol_cl !< molality of Cl- (mol/kg)
6298	REAL(wp) :: zmol_nh4 !< molality of NH4+ (mol/kg)
6299	REAL(wp) :: zmol_na !< molality of Na+ (mol/kg)
6300	REAL(wp) :: zhlp1 !< intermediate variable
6301	REAL(wp) :: zhlp2 !< intermediate variable
6302	REAL(wp) :: zhlp3 !< intermediate variable
6303	REAL(wp) :: zxi !< particle mole concentration ratio: (NH3+SS)/H2SO4
6304	REAL(wp) :: zt0 !< reference temp
6305
6306	REAL(wp), PARAMETER :: a1 = -22.52_wp !<
6307	REAL(wp), PARAMETER :: a2 = -1.50_wp !<
6308	REAL(wp), PARAMETER :: a3 = 13.79_wp !<
6309	REAL(wp), PARAMETER :: a4 = 29.17_wp !<
6310	REAL(wp), PARAMETER :: b1 = 26.92_wp !<
6311	REAL(wp), PARAMETER :: b2 = 26.92_wp !<
6312	REAL(wp), PARAMETER :: b3 = -5.39_wp !<
6313	REAL(wp), PARAMETER :: b4 = 16.84_wp !<
6314	REAL(wp), PARAMETER :: K01 = 1.01E-14_wp !<
6315	REAL(wp), PARAMETER :: K02 = 1.81E-5_wp !<
6316	REAL(wp), PARAMETER :: K03 = 57.64_wp !<
6317	REAL(wp), PARAMETER :: K04 = 2.51E+6_wp !<
6318
6319	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6320
6321	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachhso4 !< activity coeff. of HHSO4
6322	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pacnh4hso2 !< activity coeff. of NH4HSO2
6323	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachno3 !< activity coeff. of HNO3
6324	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3eq !< eq. surface concentration: HNO3
6325	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3 !< current particle mole
6326	!< concentration of HNO3 (mol/m3)
6327	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pc_nh3 !< of NH3 (mol/m3)
6328	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelhno3 !< Kelvin effect for HNO3
6329	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelnh3 !< Kelvin effect for NH3
6330
6331	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psathno3 !< saturation ratio of HNO3
6332	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psatnh3 !< saturation ratio of NH3
6333
6334	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
6335
6336	zmol_cl = 0.0_wp
6337	zmol_h = 0.0_wp
6338	zmol_na = 0.0_wp
6339	zmol_nh4 = 0.0_wp
6340	zmol_no3 = 0.0_wp
6341	zmol_so4 = 0.0_wp
6342	zt0 = 298.15_wp
6343	zxi = 0.0_wp
6344	!
6345	!-- Calculates equlibrium rate constants based on Table B.7 in Jacobson (2005):
6346	!-- K^ll_H20, K^ll_NH3, K^gl_NH3, K^gl_HNO3
6347	zhlp1 = zt0 / ptemp
6348	zhlp2 = zhlp1 - 1.0_wp
6349	zhlp3 = 1.0_wp + LOG( zhlp1 ) - zhlp1
6350
6351	k_ll_h2o = K01 * EXP( a1 * zhlp2 + b1 * zhlp3 )
6352	k_ll_nh3 = K02 * EXP( a2 * zhlp2 + b2 * zhlp3 )
6353	k_gl_nh3 = K03 * EXP( a3 * zhlp2 + b3 * zhlp3 )
6354	k_gl_hno3 = K04 * EXP( a4 * zhlp2 + b4 * zhlp3 )
6355
6356	DO ib = 1, nbins_aerosol
6357
6358	IF ( ppart(ib)%numc > nclim .AND. ppart(ib)%volc(8) > 1.0E-30_wp ) THEN
6359	!
6360	!-- Molality of H+ and NO3-
6361	zhlp1 = pc_nh3(ib) * amnh3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * arhooc &
6362	+ ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6363	zmol_no3 = pchno3(ib) / zhlp1 !< mol/kg
6364	!
6365	!-- Particle mole concentration ratio: (NH3+SS)/H2SO4
6366	zxi = ( pc_nh3(ib) + ppart(ib)%volc(5) * arhoss / amss ) / ( ppart(ib)%volc(1) * &
6367	arhoh2so4 / amh2so4 )
6368
6369	IF ( zxi <= 2.0_wp ) THEN
6370	!
6371	!-- Molality of SO4(2-)
6372	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
6373	ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6374	zmol_so4 = ( ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ) / zhlp1
6375	!
6376	!-- Molality of Cl-
6377	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
6378	ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(8) * arhoh2o
6379	zmol_cl = ( ppart(ib)%volc(5) * arhoss / amss ) / zhlp1
6380	!
6381	!-- Molality of NH4+
6382	zhlp1 = pchno3(ib) * amhno3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * &
6383	arhooc + ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6384	zmol_nh4 = pc_nh3(ib) / zhlp1
6385	!
6386	!-- Molality of Na+
6387	zmol_na = zmol_cl
6388	!
6389	!-- Molality of H+
6390	zmol_h = 2.0_wp * zmol_so4 + zmol_no3 + zmol_cl - ( zmol_nh4 + zmol_na )
6391
6392	ELSE
6393
6394	zhlp2 = pkelhno3(ib) * zmol_no3 * pachno3(ib)**2
6395
6396	IF ( zhlp2 > 1.0E-30_wp ) THEN
6397	zmol_h = k_gl_hno3 * pchno3eq(ib) / zhlp2 ! Eq. 17.38
6398	ELSE
6399	zmol_h = 0.0_wp
6400	ENDIF
6401
6402	ENDIF
6403
6404	zhlp1 = ppart(ib)%volc(8) * arhoh2o * argas * ptemp * k_gl_hno3
6405	!
6406	!-- Saturation ratio for NH3 and for HNO3
6407	IF ( zmol_h > 0.0_wp ) THEN
6408	zhlp2 = pkelnh3(ib) / ( zhlp1 * zmol_h )
6409	zhlp3 = k_ll_h2o / ( k_ll_nh3 + k_gl_nh3 )
6410	psatnh3(ib) = zhlp2 * ( ( pacnh4hso2(ib) / pachhso4(ib) )*2 ) zhlp3
6411	psathno3(ib) = ( pkelhno3(ib) * zmol_h * pachno3(ib)**2 ) / zhlp1
6412	ELSE
6413	psatnh3(ib) = 1.0_wp
6414	psathno3(ib) = 1.0_wp
6415	ENDIF
6416	ELSE
6417	psatnh3(ib) = 1.0_wp
6418	psathno3(ib) = 1.0_wp
6419	ENDIF
6420
6421	ENDDO
6422
6423	END SUBROUTINE nitrate_ammonium_saturation
6424
6425	!------------------------------------------------------------------------------!
6426	! Description:
6427	! ------------
6428	!> Prototype module for calculating the water content of a mixed inorganic/
6429	!> organic particle + equilibrium water vapour pressure above the solution
6430	!> (HNO3, HCL, NH3 and representative organic compounds. Efficient calculation
6431	!> of the partitioning of species between gas and aerosol. Based in a chamber
6432	!> study.
6433	!
6434	!> Written by Dave Topping. Pure organic component properties predicted by Mark
6435	!> Barley based on VOCs predicted in MCM simulations performed by Mike Jenkin.
6436	!> Delivered by Gordon McFiggans as Deliverable D22 from WP1.4 in the EU FP6
6437	!> EUCAARI Integrated Project.
6438	!
6439	!> REFERENCES
6440	!> Clegg et al. (1998) A Thermodynamic Model of the System H+-NH4+-Na+-SO42- -NO3--Cl--H2O at
6441	!> 298.15 K, J. Phys. Chem., 102A, 2155-2171.
6442	!> Clegg et al. (2001) Thermodynamic modelling of aqueous aerosols containing electrolytes and
6443	!> dissolved organic compounds. Journal of Aerosol Science 2001;32(6):713-738.
6444	!> Topping et al. (2005a) A curved multi-component aerosol hygroscopicity model framework: Part 1 -
6445	!> Inorganic compounds. Atmospheric Chemistry and Physics 2005;5:1205-1222.
6446	!> Topping et al. (2005b) A curved multi-component aerosol hygroscopicity model framework: Part 2 -
6447	!> Including organic compounds. Atmospheric Chemistry and Physics 2005;5:1223-1242.
6448	!> Wagman et al. (1982). The NBS tables of chemical thermodynamic properties: selected values for
6449	!> inorganic and Câ and Câ organic substances in SI units (book)
6450	!> Zaveri et al. (2005). A new method for multicomponent activity coefficients of electrolytes in
6451	!> aqueous atmospheric aerosols, JGR, 110, D02201, 2005.
6452	!
6453	!> Queries concerning the use of this code through Gordon McFiggans,
6454	!> g.mcfiggans@manchester.ac.uk,
6455	!> Ownership: D. Topping, Centre for Atmospheric Sciences, University of
6456	!> Manchester, 2007
6457	!
6458	!> Rewritten to PALM by Mona Kurppa, UHel, 2017
6459	!------------------------------------------------------------------------------!
6460	SUBROUTINE inorganic_pdfite( rh, temp, ions, water_total, press_hno3, press_hcl, press_nh3, &
6461	gamma_out, mols_out )
6462
6463	IMPLICIT NONE
6464
6465	INTEGER(iwp) :: binary_case
6466	INTEGER(iwp) :: full_complexity
6467
6468	REAL(wp) :: a !< auxiliary variable
6469	REAL(wp) :: act_product !< ionic activity coef. product:
6470	!< = (gamma_h2so43d0) / gamma_hhso42d0)
6471	REAL(wp) :: ammonium_chloride !<
6472	REAL(wp) :: ammonium_chloride_eq_frac !<
6473	REAL(wp) :: ammonium_nitrate !<
6474	REAL(wp) :: ammonium_nitrate_eq_frac !<
6475	REAL(wp) :: ammonium_sulphate !<
6476	REAL(wp) :: ammonium_sulphate_eq_frac !<
6477	REAL(wp) :: b !< auxiliary variable
6478	REAL(wp) :: binary_h2so4 !< binary H2SO4 activity coeff.
6479	REAL(wp) :: binary_hcl !< binary HCL activity coeff.
6480	REAL(wp) :: binary_hhso4 !< binary HHSO4 activity coeff.
6481	REAL(wp) :: binary_hno3 !< binary HNO3 activity coeff.
6482	REAL(wp) :: binary_nh4hso4 !< binary NH4HSO4 activity coeff.
6483	REAL(wp) :: c !< auxiliary variable
6484	REAL(wp) :: charge_sum !< sum of ionic charges
6485	REAL(wp) :: gamma_h2so4 !< activity coefficient
6486	REAL(wp) :: gamma_hcl !< activity coefficient
6487	REAL(wp) :: gamma_hhso4 !< activity coeffient
6488	REAL(wp) :: gamma_hno3 !< activity coefficient
6489	REAL(wp) :: gamma_nh3 !< activity coefficient
6490	REAL(wp) :: gamma_nh4hso4 !< activity coefficient
6491	REAL(wp) :: h_out !<
6492	REAL(wp) :: h_real !< new hydrogen ion conc.
6493	REAL(wp) :: h2so4_hcl !< contribution of H2SO4
6494	REAL(wp) :: h2so4_hno3 !< contribution of H2SO4
6495	REAL(wp) :: h2so4_nh3 !< contribution of H2SO4
6496	REAL(wp) :: h2so4_nh4hso4 !< contribution of H2SO4
6497	REAL(wp) :: hcl_h2so4 !< contribution of HCL
6498	REAL(wp) :: hcl_hhso4 !< contribution of HCL
6499	REAL(wp) :: hcl_hno3 !< contribution of HCL
6500	REAL(wp) :: hcl_nh4hso4 !< contribution of HCL
6501	REAL(wp) :: henrys_temp_dep !< temperature dependence of Henry's Law
6502	REAL(wp) :: hno3_h2so4 !< contribution of HNO3
6503	REAL(wp) :: hno3_hcl !< contribution of HNO3
6504	REAL(wp) :: hno3_hhso4 !< contribution of HNO3
6505	REAL(wp) :: hno3_nh3 !< contribution of HNO3
6506	REAL(wp) :: hno3_nh4hso4 !< contribution of HNO3
6507	REAL(wp) :: hso4_out !<
6508	REAL(wp) :: hso4_real !< new bisulphate ion conc.
6509	REAL(wp) :: hydrochloric_acid !<
6510	REAL(wp) :: hydrochloric_acid_eq_frac !<
6511	REAL(wp) :: k_h !< equilibrium constant for H+
6512	REAL(wp) :: k_hcl !< equilibrium constant of HCL
6513	REAL(wp) :: k_hno3 !< equilibrium constant of HNO3
6514	REAL(wp) :: k_nh4 !< equilibrium constant for NH4+
6515	REAL(wp) :: k_h2o !< equil. const. for water_surface
6516	REAL(wp) :: ln_h2so4_act !< gamma_h2so4 = EXP(ln_h2so4_act)
6517	REAL(wp) :: ln_HCL_act !< gamma_hcl = EXP( ln_HCL_act )
6518	REAL(wp) :: ln_hhso4_act !< gamma_hhso4 = EXP(ln_hhso4_act)
6519	REAL(wp) :: ln_hno3_act !< gamma_hno3 = EXP( ln_hno3_act )
6520	REAL(wp) :: ln_nh4hso4_act !< gamma_nh4hso4 = EXP( ln_nh4hso4_act )
6521	REAL(wp) :: molality_ratio_nh3 !< molality ratio of NH3 (NH4+ and H+)
6522	REAL(wp) :: na2so4_h2so4 !< contribution of Na2SO4
6523	REAL(wp) :: na2so4_hcl !< contribution of Na2SO4
6524	REAL(wp) :: na2so4_hhso4 !< contribution of Na2SO4
6525	REAL(wp) :: na2so4_hno3 !< contribution of Na2SO4
6526	REAL(wp) :: na2so4_nh3 !< contribution of Na2SO4
6527	REAL(wp) :: na2so4_nh4hso4 !< contribution of Na2SO4
6528	REAL(wp) :: nacl_h2so4 !< contribution of NaCl
6529	REAL(wp) :: nacl_hcl !< contribution of NaCl
6530	REAL(wp) :: nacl_hhso4 !< contribution of NaCl
6531	REAL(wp) :: nacl_hno3 !< contribution of NaCl
6532	REAL(wp) :: nacl_nh3 !< contribution of NaCl
6533	REAL(wp) :: nacl_nh4hso4 !< contribution of NaCl
6534	REAL(wp) :: nano3_h2so4 !< contribution of NaNO3
6535	REAL(wp) :: nano3_hcl !< contribution of NaNO3
6536	REAL(wp) :: nano3_hhso4 !< contribution of NaNO3
6537	REAL(wp) :: nano3_hno3 !< contribution of NaNO3
6538	REAL(wp) :: nano3_nh3 !< contribution of NaNO3
6539	REAL(wp) :: nano3_nh4hso4 !< contribution of NaNO3
6540	REAL(wp) :: nh42so4_h2so4 !< contribution of NH42SO4
6541	REAL(wp) :: nh42so4_hcl !< contribution of NH42SO4
6542	REAL(wp) :: nh42so4_hhso4 !< contribution of NH42SO4
6543	REAL(wp) :: nh42so4_hno3 !< contribution of NH42SO4
6544	REAL(wp) :: nh42so4_nh3 !< contribution of NH42SO4
6545	REAL(wp) :: nh42so4_nh4hso4 !< contribution of NH42SO4
6546	REAL(wp) :: nh4cl_h2so4 !< contribution of NH4Cl
6547	REAL(wp) :: nh4cl_hcl !< contribution of NH4Cl
6548	REAL(wp) :: nh4cl_hhso4 !< contribution of NH4Cl
6549	REAL(wp) :: nh4cl_hno3 !< contribution of NH4Cl
6550	REAL(wp) :: nh4cl_nh3 !< contribution of NH4Cl
6551	REAL(wp) :: nh4cl_nh4hso4 !< contribution of NH4Cl
6552	REAL(wp) :: nh4no3_h2so4 !< contribution of NH4NO3
6553	REAL(wp) :: nh4no3_hcl !< contribution of NH4NO3
6554	REAL(wp) :: nh4no3_hhso4 !< contribution of NH4NO3
6555	REAL(wp) :: nh4no3_hno3 !< contribution of NH4NO3
6556	REAL(wp) :: nh4no3_nh3 !< contribution of NH4NO3
6557	REAL(wp) :: nh4no3_nh4hso4 !< contribution of NH4NO3
6558	REAL(wp) :: nitric_acid !<
6559	REAL(wp) :: nitric_acid_eq_frac !< Equivalent fractions
6560	REAL(wp) :: press_hcl !< partial pressure of HCL
6561	REAL(wp) :: press_hno3 !< partial pressure of HNO3
6562	REAL(wp) :: press_nh3 !< partial pressure of NH3
6563	REAL(wp) :: rh !< relative humidity [0-1]
6564	REAL(wp) :: root1 !< auxiliary variable
6565	REAL(wp) :: root2 !< auxiliary variable
6566	REAL(wp) :: so4_out !<
6567	REAL(wp) :: so4_real !< new sulpate ion concentration
6568	REAL(wp) :: sodium_chloride !<
6569	REAL(wp) :: sodium_chloride_eq_frac !<
6570	REAL(wp) :: sodium_nitrate !<
6571	REAL(wp) :: sodium_nitrate_eq_frac !<
6572	REAL(wp) :: sodium_sulphate !<
6573	REAL(wp) :: sodium_sulphate_eq_frac !<
6574	REAL(wp) :: solutes !<
6575	REAL(wp) :: sulphuric_acid !<
6576	REAL(wp) :: sulphuric_acid_eq_frac !<
6577	REAL(wp) :: temp !< temperature
6578	REAL(wp) :: water_total !<
6579
6580	REAL(wp), DIMENSION(:) :: gamma_out !< Activity coefficient for calculating the non-ideal
6581	!< dissociation constants
6582	!< 1: HNO3, 2: HCL, 3: NH4+/H+ (NH3), 4: HHSO4**2/H2SO4,
6583	!< 5: H2SO43/HHSO42, 6: NH4HSO2, 7: HHSO4
6584	REAL(wp), DIMENSION(:) :: ions !< ion molarities (mol/m3): 1: H+, 2: NH4+, 3: Na+,
6585	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6586	REAL(wp), DIMENSION(7) :: ions_mol !< ion molalities (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6587	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6588	REAL(wp), DIMENSION(:) :: mols_out !< ion molality output (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6589	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6590	!
6591	!-- Value initialisation
6592	binary_h2so4 = 0.0_wp
6593	binary_hcl = 0.0_wp
6594	binary_hhso4 = 0.0_wp
6595	binary_hno3 = 0.0_wp
6596	binary_nh4hso4 = 0.0_wp
6597	henrys_temp_dep = ( 1.0_wp / temp - 0.0033557_wp ) ! 1/T - 1/298 K
6598	hcl_hno3 = 1.0_wp
6599	h2so4_hno3 = 1.0_wp
6600	nh42so4_hno3 = 1.0_wp
6601	nh4no3_hno3 = 1.0_wp
6602	nh4cl_hno3 = 1.0_wp
6603	na2so4_hno3 = 1.0_wp
6604	nano3_hno3 = 1.0_wp
6605	nacl_hno3 = 1.0_wp
6606	hno3_hcl = 1.0_wp
6607	h2so4_hcl = 1.0_wp
6608	nh42so4_hcl = 1.0_wp
6609	nh4no3_hcl = 1.0_wp
6610	nh4cl_hcl = 1.0_wp
6611	na2so4_hcl = 1.0_wp
6612	nano3_hcl = 1.0_wp
6613	nacl_hcl = 1.0_wp
6614	hno3_nh3 = 1.0_wp
6615	h2so4_nh3 = 1.0_wp
6616	nh42so4_nh3 = 1.0_wp
6617	nh4no3_nh3 = 1.0_wp
6618	nh4cl_nh3 = 1.0_wp
6619	na2so4_nh3 = 1.0_wp
6620	nano3_nh3 = 1.0_wp
6621	nacl_nh3 = 1.0_wp
6622	hno3_hhso4 = 1.0_wp
6623	hcl_hhso4 = 1.0_wp
6624	nh42so4_hhso4 = 1.0_wp
6625	nh4no3_hhso4 = 1.0_wp
6626	nh4cl_hhso4 = 1.0_wp
6627	na2so4_hhso4 = 1.0_wp
6628	nano3_hhso4 = 1.0_wp
6629	nacl_hhso4 = 1.0_wp
6630	hno3_h2so4 = 1.0_wp
6631	hcl_h2so4 = 1.0_wp
6632	nh42so4_h2so4 = 1.0_wp
6633	nh4no3_h2so4 = 1.0_wp
6634	nh4cl_h2so4 = 1.0_wp
6635	na2so4_h2so4 = 1.0_wp
6636	nano3_h2so4 = 1.0_wp
6637	nacl_h2so4 = 1.0_wp
6638	!
6639	!-- New NH3 variables
6640	hno3_nh4hso4 = 1.0_wp
6641	hcl_nh4hso4 = 1.0_wp
6642	h2so4_nh4hso4 = 1.0_wp
6643	nh42so4_nh4hso4 = 1.0_wp
6644	nh4no3_nh4hso4 = 1.0_wp
6645	nh4cl_nh4hso4 = 1.0_wp
6646	na2so4_nh4hso4 = 1.0_wp
6647	nano3_nh4hso4 = 1.0_wp
6648	nacl_nh4hso4 = 1.0_wp
6649	!
6650	!-- Juha Tonttila added
6651	mols_out = 0.0_wp
6652	press_hno3 = 0.0_wp !< Initialising vapour pressures over the
6653	press_hcl = 0.0_wp !< multicomponent particle
6654	press_nh3 = 0.0_wp
6655	gamma_out = 1.0_wp !< i.e. don't alter the ideal mixing ratios if there's nothing there.
6656	!
6657	!-- 1) - COMPOSITION DEFINITIONS
6658	!
6659	!-- a) Inorganic ion pairing:
6660	!-- In order to calculate the water content, which is also used in calculating vapour pressures, one
6661	!-- needs to pair the anions and cations for use in the ZSR mixing rule. The equation provided by
6662	!-- Clegg et al. (2001) is used for ion pairing. The solutes chosen comprise of 9 inorganic salts
6663	!-- and acids which provide a pairing between each anion and cation: (NH4)2SO4, NH4NO3, NH4Cl,
6664	!-- Na2SO4, NaNO3, NaCl, H2SO4, HNO3, HCL. The organic compound is treated as a seperate solute.
6665	!-- Ions: 1: H+, 2: NH4+, 3: Na+, 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6666	!
6667	charge_sum = ions(1) + ions(2) + ions(3) + 2.0_wp * ions(4) + ions(5) + ions(6) + ions(7)
6668	nitric_acid = ( 2.0_wp * ions(1) * ions(6) ) / charge_sum
6669	hydrochloric_acid = ( 2.0_wp * ions(1) * ions(7) ) / charge_sum
6670	sulphuric_acid = ( 2.0_wp * ions(1) * ions(4) ) / charge_sum
6671	ammonium_sulphate = ( 2.0_wp * ions(2) * ions(4) ) / charge_sum
6672	ammonium_nitrate = ( 2.0_wp * ions(2) * ions(6) ) / charge_sum
6673	ammonium_chloride = ( 2.0_wp * ions(2) * ions(7) ) / charge_sum
6674	sodium_sulphate = ( 2.0_wp * ions(3) * ions(4) ) / charge_sum
6675	sodium_nitrate = ( 2.0_wp * ions(3) * ions(6) ) / charge_sum
6676	sodium_chloride = ( 2.0_wp * ions(3) * ions(7) ) / charge_sum
6677	solutes = 0.0_wp
6678	solutes = 3.0_wp * sulphuric_acid + 2.0_wp * hydrochloric_acid + 2.0_wp * nitric_acid + &
6679	3.0_wp * ammonium_sulphate + 2.0_wp * ammonium_nitrate + 2.0_wp * ammonium_chloride +&
6680	3.0_wp * sodium_sulphate + 2.0_wp * sodium_nitrate + 2.0_wp * sodium_chloride
6681	!
6682	!-- b) Inorganic equivalent fractions:
6683	!-- These values are calculated so that activity coefficients can be expressed by a linear additive
6684	!-- rule, thus allowing more efficient calculations and future expansion (see more detailed
6685	!-- description below)
6686	nitric_acid_eq_frac = 2.0_wp * nitric_acid / solutes
6687	hydrochloric_acid_eq_frac = 2.0_wp * hydrochloric_acid / solutes
6688	sulphuric_acid_eq_frac = 3.0_wp * sulphuric_acid / solutes
6689	ammonium_sulphate_eq_frac = 3.0_wp * ammonium_sulphate / solutes
6690	ammonium_nitrate_eq_frac = 2.0_wp * ammonium_nitrate / solutes
6691	ammonium_chloride_eq_frac = 2.0_wp * ammonium_chloride / solutes
6692	sodium_sulphate_eq_frac = 3.0_wp * sodium_sulphate / solutes
6693	sodium_nitrate_eq_frac = 2.0_wp * sodium_nitrate / solutes
6694	sodium_chloride_eq_frac = 2.0_wp * sodium_chloride / solutes
6695	!
6696	!-- Inorganic ion molalities
6697	ions_mol(1) = ions(1) / ( water_total * 18.01528E-3_wp ) ! H+
6698	ions_mol(2) = ions(2) / ( water_total * 18.01528E-3_wp ) ! NH4+
6699	ions_mol(3) = ions(3) / ( water_total * 18.01528E-3_wp ) ! Na+
6700	ions_mol(4) = ions(4) / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6701	ions_mol(5) = ions(5) / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6702	ions_mol(6) = ions(6) / ( water_total * 18.01528E-3_wp ) ! NO3-
6703	ions_mol(7) = ions(7) / ( water_total * 18.01528E-3_wp ) ! Cl-
6704
6705	!-- ***
6706	!-- At this point we may need to introduce a method for prescribing H+ when there is no 'real' value
6707	!-- for H+..i.e. in the sulphate poor domain. This will give a value for solve quadratic proposed by
6708	!-- Zaveri et al. 2005
6709	!
6710	!-- 2) - WATER CALCULATION
6711	!
6712	!-- a) The water content is calculated using the ZSR rule with solute concentrations calculated
6713	!-- using 1a above. Whilst the usual approximation of ZSR relies on binary data consisting of 5th or
6714	!-- higher order polynomials, in this code 4 different RH regimes are used, each housing cubic
6715	!-- equations for the water associated with each solute listed above. Binary water contents for
6716	!-- inorganic components were calculated using AIM online (Clegg et al 1998). The water associated
6717	!-- with the organic compound is calculated assuming ideality and that aw = RH.
6718	!
6719	!-- b) Molality of each inorganic ion and organic solute (initial input) is calculated for use in
6720	!-- vapour pressure calculation.
6721	!
6722	!-- 3) - BISULPHATE ION DISSOCIATION CALCULATION
6723	!
6724	!-- The dissociation of the bisulphate ion is calculated explicitly. A solution to the equilibrium
6725	!-- equation between the bisulphate ion, hydrogen ion and sulphate ion is found using tabulated
6726	!-- equilibrium constants (referenced). It is necessary to calculate the activity coefficients of
6727	!-- HHSO4 and H2SO4 in a non-iterative manner. These are calculated using the same format as
6728	!-- described in 4) below, where both activity coefficients were fit to the output from ADDEM
6729	!-- (Topping et al 2005a,b) covering an extensive composition space, providing the activity
6730	!-- coefficients and bisulphate ion dissociation as a function of equivalent mole fractions and
6731	!-- relative humidity.
6732	!
6733	!-- NOTE: the flags "binary_case" and "full_complexity" are not used in this prototype. They are
6734	!-- used for simplification of the fit expressions when using limited composition regions. This
6735	!-- section of code calculates the bisulphate ion concentration.
6736	!
6737	IF ( ions(1) > 0.0_wp .AND. ions(4) > 0.0_wp ) THEN
6738	!
6739	!-- HHSO4:
6740	binary_case = 1
6741	IF ( rh > 0.1_wp .AND. rh < 0.9_wp ) THEN
6742	binary_hhso4 = -4.9521_wp * rh*3 + 9.2881_wp rh*2 - 10.777_wp rh + 6.0534_wp
6743	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.955_wp ) THEN
6744	binary_hhso4 = -6.3777_wp * rh + 5.962_wp
6745	ELSEIF ( rh >= 0.955_wp .AND. rh < 0.99_wp ) THEN
6746	binary_hhso4 = 2367.2_wp * rh*3 - 6849.7_wp rh*2 + 6600.9_wp rh - 2118.7_wp
6747	ELSEIF ( rh >= 0.99_wp .AND. rh < 0.9999_wp ) THEN
6748	binary_hhso4 = 3E-7_wp * rh*5 - 2E-5_wp rh*4 + 0.0004_wp rh*3 - 0.0035_wp rh**2 &
6749	+ 0.0123_wp * rh - 0.3025_wp
6750	ENDIF
6751
6752	IF ( nitric_acid > 0.0_wp ) THEN
6753	hno3_hhso4 = -4.2204_wp * rh*4 + 12.193_wp rh*3 - 12.481_wp rh*2 + 6.459_wp rh &
6754	- 1.9004_wp
6755	ENDIF
6756
6757	IF ( hydrochloric_acid > 0.0_wp ) THEN
6758	hcl_hhso4 = -54.845_wp * rh*7 + 209.54_wp rh*6 - 336.59_wp rh*5 + 294.21_wp &
6759	rh*4 - 150.07_wp rh*3 + 43.767_wp rh*2 - 6.5495_wp rh + 0.60048_wp
6760	ENDIF
6761
6762	IF ( ammonium_sulphate > 0.0_wp ) THEN
6763	nh42so4_hhso4 = 16.768_wp * rh*3 - 28.75_wp rh*2 + 20.011_wp rh - 8.3206_wp
6764	ENDIF
6765
6766	IF ( ammonium_nitrate > 0.0_wp ) THEN
6767	nh4no3_hhso4 = -17.184_wp * rh*4 + 56.834_wp rh*3 - 65.765_wp rh**2 + &
6768	35.321_wp * rh - 9.252_wp
6769	ENDIF
6770
6771	IF (ammonium_chloride > 0.0_wp ) THEN
6772	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6773	nh4cl_hhso4 = 3.2809_wp * rh - 2.0637_wp
6774	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6775	nh4cl_hhso4 = -1.2981_wp * rh*3 + 4.7461_wp rh*2 - 2.3269_wp rh - 1.1259_wp
6776	ENDIF
6777	ENDIF
6778
6779	IF ( sodium_sulphate > 0.0_wp ) THEN
6780	na2so4_hhso4 = 118.87_wp * rh*6 - 358.63_wp rh*5 + 435.85_wp rh*4 - 272.88_wp &
6781	rh*3 + 94.411_wp rh*2 - 18.21_wp rh + 0.45935_wp
6782	ENDIF
6783
6784	IF ( sodium_nitrate > 0.0_wp ) THEN
6785	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6786	nano3_hhso4 = 4.8456_wp * rh - 2.5773_wp
6787	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6788	nano3_hhso4 = 0.5964_wp * rh*3 - 0.38967_wp rh*2 + 1.7918_wp rh - 1.9691_wp
6789	ENDIF
6790	ENDIF
6791
6792	IF ( sodium_chloride > 0.0_wp ) THEN
6793	IF ( rh < 0.2_wp ) THEN
6794	nacl_hhso4 = 0.51995_wp * rh - 1.3981_wp
6795	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6796	nacl_hhso4 = 1.6539_wp * rh - 1.6101_wp
6797	ENDIF
6798	ENDIF
6799
6800	ln_hhso4_act = binary_hhso4 + nitric_acid_eq_frac * hno3_hhso4 + &
6801	hydrochloric_acid_eq_frac * hcl_hhso4 + &
6802	ammonium_sulphate_eq_frac * nh42so4_hhso4 + &
6803	ammonium_nitrate_eq_frac * nh4no3_hhso4 + &
6804	ammonium_chloride_eq_frac * nh4cl_hhso4 + &
6805	sodium_sulphate_eq_frac * na2so4_hhso4 + &
6806	sodium_nitrate_eq_frac * nano3_hhso4 + sodium_chloride_eq_frac * nacl_hhso4
6807
6808	gamma_hhso4 = EXP( ln_hhso4_act ) ! molal activity coefficient of HHSO4
6809
6810	!-- H2SO4 (sulphuric acid):
6811	IF ( rh >= 0.1_wp .AND. rh < 0.9_wp ) THEN
6812	binary_h2so4 = 2.4493_wp * rh*2 - 6.2326_wp rh + 2.1763_wp
6813	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.98 ) THEN
6814	binary_h2so4 = 914.68_wp * rh*3 - 2502.3_wp rh*2 + 2281.9_wp rh - 695.11_wp
6815	ELSEIF ( rh >= 0.98 .AND. rh < 0.9999 ) THEN
6816	binary_h2so4 = 3.0E-8_wp * rh*4 - 5E-6_wp rh*3 + 0.0003_wp rh*2 - 0.0022_wp &
6817	rh - 1.1305_wp
6818	ENDIF
6819
6820	IF ( nitric_acid > 0.0_wp ) THEN
6821	hno3_h2so4 = - 16.382_wp * rh*5 + 46.677_wp rh*4 - 54.149_wp rh*3 + 34.36_wp &
6822	rh*2 - 12.54_wp rh + 2.1368_wp
6823	ENDIF
6824
6825	IF ( hydrochloric_acid > 0.0_wp ) THEN
6826	hcl_h2so4 = - 14.409_wp * rh*5 + 42.804_wp rh*4 - 47.24_wp rh*3 + 24.668_wp &
6827	rh*2 - 5.8015_wp rh + 0.084627_wp
6828	ENDIF
6829
6830	IF ( ammonium_sulphate > 0.0_wp ) THEN
6831	nh42so4_h2so4 = 66.71_wp * rh*5 - 187.5_wp rh*4 + 210.57_wp rh*3 - 121.04_wp &
6832	rh*2 + 39.182_wp rh - 8.0606_wp
6833	ENDIF
6834
6835	IF ( ammonium_nitrate > 0.0_wp ) THEN
6836	nh4no3_h2so4 = - 22.532_wp * rh*4 + 66.615_wp rh*3 - 74.647_wp rh*2 + 37.638_wp &
6837	rh - 6.9711_wp
6838	ENDIF
6839
6840	IF ( ammonium_chloride > 0.0_wp ) THEN
6841	IF ( rh >= 0.1_wp .AND. rh < 0.2_wp ) THEN
6842	nh4cl_h2so4 = - 0.32089_wp * rh + 0.57738_wp
6843	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.9_wp ) THEN
6844	nh4cl_h2so4 = 18.089_wp * rh*5 - 51.083_wp rh*4 + 50.32_wp rh*3 - 17.012_wp &
6845	rh*2 - 0.93435_wp rh + 1.0548_wp
6846	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.99_wp ) THEN
6847	nh4cl_h2so4 = - 1.5749_wp * rh + 1.7002_wp
6848	ENDIF
6849	ENDIF
6850
6851	IF ( sodium_sulphate > 0.0_wp ) THEN
6852	na2so4_h2so4 = 29.843_wp * rh*4 - 69.417_wp rh*3 + 61.507_wp rh*2 - 29.874_wp &
6853	rh + 7.7556_wp
6854	ENDIF
6855
6856	IF ( sodium_nitrate > 0.0_wp ) THEN
6857	nano3_h2so4 = - 122.37_wp * rh*6 + 427.43_wp rh*5 - 604.68_wp rh*4 + 443.08_wp &
6858	rh*3 - 178.61_wp rh*2 + 37.242_wp rh - 1.9564_wp
6859	ENDIF
6860
6861	IF ( sodium_chloride > 0.0_wp ) THEN
6862	nacl_h2so4 = - 40.288_wp * rh*5 + 115.61_wp rh*4 - 129.99_wp rh*3 + 72.652_wp &
6863	rh*2 - 22.124_wp rh + 4.2676_wp
6864	ENDIF
6865
6866	ln_h2so4_act = binary_h2so4 + nitric_acid_eq_frac * hno3_h2so4 + &
6867	hydrochloric_acid_eq_frac * hcl_h2so4 + &
6868	ammonium_sulphate_eq_frac * nh42so4_h2so4 + &
6869	ammonium_nitrate_eq_frac * nh4no3_h2so4 + &
6870	ammonium_chloride_eq_frac * nh4cl_h2so4 + &
6871	sodium_sulphate_eq_frac * na2so4_h2so4 + &
6872	sodium_nitrate_eq_frac * nano3_h2so4 + sodium_chloride_eq_frac * nacl_h2so4
6873
6874	gamma_h2so4 = EXP( ln_h2so4_act ) ! molal activity coefficient
6875	!
6876	!-- Export activity coefficients
6877	IF ( gamma_h2so4 > 1.0E-10_wp ) THEN
6878	gamma_out(4) = gamma_hhso4**2 / gamma_h2so4
6879	ENDIF
6880	IF ( gamma_hhso4 > 1.0E-10_wp ) THEN
6881	gamma_out(5) = gamma_h2so43 / gamma_hhso42
6882	ENDIF
6883	!
6884	!-- Ionic activity coefficient product
6885	act_product = gamma_h2so43 / gamma_hhso42
6886	!
6887	!-- Solve the quadratic equation (i.e. x in ax**2 + bx + c = 0)
6888	a = 1.0_wp
6889	b = -1.0_wp * ( ions(4) + ions(1) + ( ( water_total * 18.0E-3_wp ) / &
6890	( 99.0_wp * act_product ) ) )
6891	c = ions(4) * ions(1)
6892	root1 = ( ( -1.0_wp * b ) + ( ( ( b*2 ) - 4.0_wp a * c )*0.5_wp ) ) / ( 2.0_wp a )
6893	root2 = ( ( -1.0_wp * b ) - ( ( ( b*2 ) - 4.0_wp a * c) *0.5_wp ) ) / ( 2.0_wp a )
6894
6895	IF ( root1 > ions(1) .OR. root1 < 0.0_wp ) THEN
6896	root1 = 0.0_wp
6897	ENDIF
6898
6899	IF ( root2 > ions(1) .OR. root2 < 0.0_wp ) THEN
6900	root2 = 0.0_wp
6901	ENDIF
6902	!
6903	!-- Calculate the new hydrogen ion, bisulphate ion and sulphate ion
6904	!-- concentration
6905	h_real = ions(1)
6906	so4_real = ions(4)
6907	hso4_real = MAX( root1, root2 )
6908	h_real = ions(1) - hso4_real
6909	so4_real = ions(4) - hso4_real
6910	!
6911	!-- Recalculate ion molalities
6912	ions_mol(1) = h_real / ( water_total * 18.01528E-3_wp ) ! H+
6913	ions_mol(4) = so4_real / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6914	ions_mol(5) = hso4_real / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6915
6916	h_out = h_real
6917	hso4_out = hso4_real
6918	so4_out = so4_real
6919
6920	ELSE
6921	h_out = ions(1)
6922	hso4_out = 0.0_wp
6923	so4_out = ions(4)
6924	ENDIF
6925
6926	!
6927	!-- 4) ACTIVITY COEFFICIENTS -for vapour pressures of HNO3,HCL and NH3
6928	!
6929	!-- This section evaluates activity coefficients and vapour pressures using the water content
6930	!-- calculated above) for each inorganic condensing species: a - HNO3, b - NH3, c - HCL.
6931	!-- The following procedure is used: Zaveri et al (2005) found that one could express the variation
6932	!-- of activity coefficients linearly in log-space if equivalent mole fractions were used.
6933	!-- So, by a taylor series expansion LOG( activity coefficient ) =
6934	!-- LOG( binary activity coefficient at a given RH ) +
6935	!-- (equivalent mole fraction compound A) *
6936	!-- ('interaction' parameter between A and condensing species) +
6937	!-- equivalent mole fraction compound B) *
6938	!-- ('interaction' parameter between B and condensing species).
6939	!-- Here, the interaction parameters have been fit to ADDEM by searching the whole compositon space
6940	!-- and fit usign the Levenberg-Marquardt non-linear least squares algorithm.
6941	!
6942	!-- They are given as a function of RH and vary with complexity ranging from linear to 5th order
6943	!-- polynomial expressions, the binary activity coefficients were calculated using AIM online.
6944	!-- NOTE: for NH3, no binary activity coefficient was used and the data were fit to the ratio of the
6945	!-- activity coefficients for the ammonium and hydrogen ions. Once the activity coefficients are
6946	!-- obtained the vapour pressure can be easily calculated using tabulated equilibrium constants
6947	!-- (referenced). This procedure differs from that of Zaveri et al (2005) in that it is not assumed
6948	!-- one can carry behaviour from binary mixtures in multicomponent systems. To this end we have fit
6949	!-- the 'interaction' parameters explicitly to a general inorganic equilibrium model
6950	!-- (ADDEM - Topping et al. 2005a,b). Such parameters take into account bisulphate ion dissociation
6951	!-- and water content. This also allows us to consider one regime for all composition space, rather
6952	!-- than defining sulphate rich and sulphate poor regimes.
6953	!-- NOTE: The flags "binary_case" and "full_complexity" are not used in this prototype. They are
6954	!-- used for simplification of the fit expressions when using limited composition regions.
6955	!
6956	!-- a) - ACTIVITY COEFF/VAPOUR PRESSURE - HNO3
6957	IF ( ions(1) > 0.0_wp .AND. ions(6) > 0.0_wp ) THEN
6958	binary_case = 1
6959	IF ( rh > 0.1_wp .AND. rh < 0.98_wp ) THEN
6960	IF ( binary_case == 1 ) THEN
6961	binary_hno3 = 1.8514_wp * rh*3 - 4.6991_wp rh*2 + 1.5514_wp rh + 0.90236_wp
6962	ELSEIF ( binary_case == 2 ) THEN
6963	binary_hno3 = - 1.1751_wp * ( rh*2 ) - 0.53794_wp rh + 1.2808_wp
6964	ENDIF
6965	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
6966	binary_hno3 = 1244.69635941351_wp * rh*3 - 2613.93941099991_wp rh**2 + &
6967	1525.0684974546_wp * rh -155.946764059316_wp
6968	ENDIF
6969	!
6970	!-- Contributions from other solutes
6971	full_complexity = 1
6972	IF ( hydrochloric_acid > 0.0_wp ) THEN ! HCL
6973	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6974	hcl_hno3 = 16.051_wp * rh*4 - 44.357_wp rh*3 + 45.141_wp rh*2 - 21.638_wp &
6975	rh + 4.8182_wp
6976	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6977	hcl_hno3 = - 1.5833_wp * rh + 1.5569_wp
6978	ENDIF
6979	ENDIF
6980
6981	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
6982	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6983	h2so4_hno3 = - 3.0849_wp * rh*3 + 5.9609_wp rh*2 - 4.468_wp rh + 1.5658_wp
6984	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6985	h2so4_hno3 = - 0.93473_wp * rh + 0.9363_wp
6986	ENDIF
6987	ENDIF
6988
6989	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
6990	nh42so4_hno3 = 16.821_wp * rh*3 - 28.391_wp rh*2 + 18.133_wp rh - 6.7356_wp
6991	ENDIF
6992
6993	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
6994	nh4no3_hno3 = 11.01_wp * rh*3 - 21.578_wp rh*2 + 14.808_wp rh - 4.2593_wp
6995	ENDIF
6996
6997	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
6998	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6999	nh4cl_hno3 = - 1.176_wp * rh*3 + 5.0828_wp rh*2 - 3.8792_wp rh - 0.05518_wp
7000	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7001	nh4cl_hno3 = 2.6219_wp * rh*2 - 2.2609_wp rh - 0.38436_wp
7002	ENDIF
7003	ENDIF
7004
7005	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
7006	na2so4_hno3 = 35.504_wp * rh*4 - 80.101_wp rh*3 + 67.326_wp rh*2 - 28.461_wp &
7007	rh + 5.6016_wp
7008	ENDIF
7009
7010	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
7011	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7012	nano3_hno3 = 23.659_wp * rh*5 - 66.917_wp rh*4 + 74.686_wp rh*3 - 40.795_wp &
7013	rh*2 + 10.831_wp rh - 1.4701_wp
7014	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7015	nano3_hno3 = 14.749_wp * rh*4 - 35.237_wp rh*3 + 31.196_wp rh*2 - 12.076_wp &
7016	rh + 1.3605_wp
7017	ENDIF
7018	ENDIF
7019
7020	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
7021	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7022	nacl_hno3 = 13.682_wp * rh*4 - 35.122_wp rh*3 + 33.397_wp rh*2 - 14.586_wp &
7023	rh + 2.6276_wp
7024	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7025	nacl_hno3 = 1.1882_wp * rh*3 - 1.1037_wp rh*2 - 0.7642_wp rh + 0.6671_wp
7026	ENDIF
7027	ENDIF
7028
7029	ln_hno3_act = binary_hno3 + hydrochloric_acid_eq_frac * hcl_hno3 + &
7030	sulphuric_acid_eq_frac * h2so4_hno3 + &
7031	ammonium_sulphate_eq_frac * nh42so4_hno3 + &
7032	ammonium_nitrate_eq_frac * nh4no3_hno3 + &
7033	ammonium_chloride_eq_frac * nh4cl_hno3 + &
7034	sodium_sulphate_eq_frac * na2so4_hno3 + &
7035	sodium_nitrate_eq_frac * nano3_hno3 + sodium_chloride_eq_frac * nacl_hno3
7036
7037	gamma_hno3 = EXP( ln_hno3_act ) ! Molal activity coefficient of HNO3
7038	gamma_out(1) = gamma_hno3
7039	!
7040	!-- Partial pressure calculation
7041	!-- k_hno3 = 2.51 * ( 10**6 )
7042	!-- k_hno3 = 2.628145923d6 !< calculated by AIM online (Clegg et al 1998) after Chameides (1984)
7043	k_hno3 = 2.6E6_wp * EXP( 8700.0_wp * henrys_temp_dep )
7044	press_hno3 = ( ions_mol(1) * ions_mol(6) * ( gamma_hno3**2 ) ) / k_hno3
7045	ENDIF
7046	!
7047	!-- b) - ACTIVITY COEFF/VAPOUR PRESSURE - NH3
7048	!-- Follow the two solute approach of Zaveri et al. (2005)
7049	IF ( ions(2) > 0.0_wp .AND. ions_mol(1) > 0.0_wp ) THEN
7050	!
7051	!-- NH4HSO4:
7052	binary_nh4hso4 = 56.907_wp * rh*6 - 155.32_wp rh*5 + 142.94_wp rh*4 - 32.298_wp &
7053	rh*3 - 27.936_wp rh*2 + 19.502_wp rh - 4.2618_wp
7054	IF ( nitric_acid > 0.0_wp) THEN ! HNO3
7055	hno3_nh4hso4 = 104.8369_wp * rh*8 - 288.8923_wp rh*7 + 129.3445_wp rh**6 + &
7056	373.0471_wp * rh*5 - 571.0385_wp rh*4 + 326.3528_wp rh**3 - &
7057	74.169_wp * rh*2 - 2.4999_wp rh + 3.17_wp
7058	ENDIF
7059
7060	IF ( hydrochloric_acid > 0.0_wp) THEN ! HCL
7061	hcl_nh4hso4 = - 7.9133_wp * rh*8 + 126.6648_wp rh*7 - 460.7425_wp rh**6 + &
7062	731.606_wp * rh*5 - 582.7467_wp rh*4 + 216.7197_wp rh**3 - &
7063	11.3934_wp * rh*2 - 17.7728_wp rh + 5.75_wp
7064	ENDIF
7065
7066	IF ( sulphuric_acid > 0.0_wp) THEN ! H2SO4
7067	h2so4_nh4hso4 = 195.981_wp * rh*8 - 779.2067_wp rh*7 + 1226.3647_wp rh**6 - &
7068	964.0261_wp * rh*5 + 391.7911_wp rh*4 - 84.1409_wp rh**3 + &
7069	20.0602_wp * rh*2 - 10.2663_wp rh + 3.5817_wp
7070	ENDIF
7071
7072	IF ( ammonium_sulphate > 0.0_wp) THEN ! NH42SO4
7073	nh42so4_nh4hso4 = 617.777_wp * rh*8 - 2547.427_wp rh*7 + 4361.6009_wp rh**6 - &
7074	4003.162_wp * rh*5 + 2117.8281_wp rh*4 - 640.0678_wp rh**3 + &
7075	98.0902_wp * rh*2 - 2.2615_wp rh - 2.3811_wp
7076	ENDIF
7077
7078	IF ( ammonium_nitrate > 0.0_wp) THEN ! NH4NO3
7079	nh4no3_nh4hso4 = - 104.4504_wp * rh*8 + 539.5921_wp rh*7 - 1157.0498_wp rh**6 + &
7080	1322.4507_wp * rh*5 - 852.2475_wp rh*4 + 298.3734_wp rh**3 - &
7081	47.0309_wp * rh*2 + 1.297_wp rh - 0.8029_wp
7082	ENDIF
7083
7084	IF ( ammonium_chloride > 0.0_wp) THEN ! NH4Cl
7085	nh4cl_nh4hso4 = 258.1792_wp * rh*8 - 1019.3777_wp rh*7 + 1592.8918_wp rh**6 - &
7086	1221.0726_wp * rh*5 + 442.2548_wp rh*4 - 43.6278_wp rh**3 - &
7087	7.5282_wp * rh*2 - 3.8459_wp rh + 2.2728_wp
7088	ENDIF
7089
7090	IF ( sodium_sulphate > 0.0_wp) THEN ! Na2SO4
7091	na2so4_nh4hso4 = 225.4238_wp * rh*8 - 732.4113_wp rh*7 + 843.7291_wp rh**6 - &
7092	322.7328_wp * rh*5 - 88.6252_wp rh*4 + 72.4434_wp rh**3 + &
7093	22.9252_wp * rh*2 - 25.3954_wp rh + 4.6971_wp
7094	ENDIF
7095
7096	IF ( sodium_nitrate > 0.0_wp) THEN ! NaNO3
7097	nano3_nh4hso4 = 96.1348_wp * rh*8 - 341.6738_wp rh*7 + 406.5314_wp rh**6 - &
7098	98.5777_wp * rh*5 - 172.8286_wp rh*4 + 149.3151_wp rh**3 - &
7099	38.9998_wp * rh*2 - 0.2251_wp rh + 0.4953_wp
7100	ENDIF
7101
7102	IF ( sodium_chloride > 0.0_wp) THEN ! NaCl
7103	nacl_nh4hso4 = 91.7856_wp * rh*8 - 316.6773_wp rh*7 + 358.2703_wp rh**6 - &
7104	68.9142_wp * rh*5 - 156.5031_wp rh*4 + 116.9592_wp rh**3 - &
7105	22.5271_wp * rh*2 - 3.7716_wp rh + 1.56_wp
7106	ENDIF
7107
7108	ln_nh4hso4_act = binary_nh4hso4 + nitric_acid_eq_frac * hno3_nh4hso4 + &
7109	hydrochloric_acid_eq_frac * hcl_nh4hso4 + &
7110	sulphuric_acid_eq_frac * h2so4_nh4hso4 + &
7111	ammonium_sulphate_eq_frac * nh42so4_nh4hso4 + &
7112	ammonium_nitrate_eq_frac * nh4no3_nh4hso4 + &
7113	ammonium_chloride_eq_frac * nh4cl_nh4hso4 + &
7114	sodium_sulphate_eq_frac * na2so4_nh4hso4 + &
7115	sodium_nitrate_eq_frac * nano3_nh4hso4 + &
7116	sodium_chloride_eq_frac * nacl_nh4hso4
7117
7118	gamma_nh4hso4 = EXP( ln_nh4hso4_act ) ! molal act. coefficient of NH4HSO4
7119	!
7120	!-- Molal activity coefficient of NO3-
7121	gamma_out(6) = gamma_nh4hso4
7122	!
7123	!-- Molal activity coefficient of NH4+
7124	gamma_nh3 = gamma_nh4hso42 / gamma_hhso42
7125	gamma_out(3) = gamma_nh3
7126	!
7127	!-- This actually represents the ratio of the ammonium to hydrogen ion activity coefficients
7128	!-- (see Zaveri paper) - multiply this by the ratio of the ammonium to hydrogen ion molality and
7129	!-- the ratio of appropriate equilibrium constants
7130	!
7131	!-- Equilibrium constants
7132	!-- k_h = 57.64d0 ! Zaveri et al. (2005)
7133	k_h = 5.8E1_wp * EXP( 4085.0_wp * henrys_temp_dep ) ! after Chameides (1984)
7134	!-- k_nh4 = 1.81E-5_wp ! Zaveri et al. (2005)
7135	k_nh4 = 1.7E-5_wp * EXP( -4325.0_wp * henrys_temp_dep ) ! Chameides (1984)
7136	!-- k_h2o = 1.01E-14_wp ! Zaveri et al (2005)
7137	k_h2o = 1.E-14_wp * EXP( -6716.0_wp * henrys_temp_dep ) ! Chameides (1984)
7138	!
7139	molality_ratio_nh3 = ions_mol(2) / ions_mol(1)
7140	!
7141	!-- Partial pressure calculation
7142	press_nh3 = molality_ratio_nh3 * gamma_nh3 * ( k_h2o / ( k_h * k_nh4 ) )
7143
7144	ENDIF
7145	!
7146	!-- c) - ACTIVITY COEFF/VAPOUR PRESSURE - HCL
7147	IF ( ions(1) > 0.0_wp .AND. ions(7) > 0.0_wp ) THEN
7148	binary_case = 1
7149	IF ( rh > 0.1_wp .AND. rh < 0.98 ) THEN
7150	IF ( binary_case == 1 ) THEN
7151	binary_hcl = - 5.0179_wp * rh*3 + 9.8816_wp rh*2 - 10.789_wp rh + 5.4737_wp
7152	ELSEIF ( binary_case == 2 ) THEN
7153	binary_hcl = - 4.6221_wp * rh + 4.2633_wp
7154	ENDIF
7155	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
7156	binary_hcl = 775.6111008626_wp * rh*3 - 2146.01320888771_wp rh**2 + &
7157	1969.01979670259_wp * rh - 598.878230033926_wp
7158	ENDIF
7159	ENDIF
7160
7161	IF ( nitric_acid > 0.0_wp ) THEN ! HNO3
7162	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7163	hno3_hcl = 9.6256_wp * rh*4 - 26.507_wp rh*3 + 27.622_wp rh*2 - 12.958_wp rh + &
7164	2.2193_wp
7165	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7166	hno3_hcl = 1.3242_wp * rh*2 - 1.8827_wp rh + 0.55706_wp
7167	ENDIF
7168	ENDIF
7169
7170	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
7171	IF ( full_complexity == 1 .OR. rh <= 0.4 ) THEN
7172	h2so4_hcl = 1.4406_wp * rh*3 - 2.7132_wp rh*2 + 1.014_wp rh + 0.25226_wp
7173	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7174	h2so4_hcl = 0.30993_wp * rh*2 - 0.99171_wp rh + 0.66913_wp
7175	ENDIF
7176	ENDIF
7177
7178	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
7179	nh42so4_hcl = 22.071_wp * rh*3 - 40.678_wp rh*2 + 27.893_wp rh - 9.4338_wp
7180	ENDIF
7181
7182	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
7183	nh4no3_hcl = 19.935_wp * rh*3 - 42.335_wp rh*2 + 31.275_wp rh - 8.8675_wp
7184	ENDIF
7185
7186	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
7187	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7188	nh4cl_hcl = 2.8048_wp * rh*3 - 4.3182_wp rh*2 + 3.1971_wp rh - 1.6824_wp
7189	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7190	nh4cl_hcl = 1.2304_wp * rh*2 - 0.18262_wp rh - 1.0643_wp
7191	ENDIF
7192	ENDIF
7193
7194	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
7195	na2so4_hcl = 36.104_wp * rh*4 - 78.658_wp rh*3 + 63.441_wp rh*2 - 26.727_wp rh + &
7196	5.7007_wp
7197	ENDIF
7198
7199	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
7200	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7201	nano3_hcl = 54.471_wp * rh*5 - 159.42_wp rh*4 + 180.25_wp rh*3 - 98.176_wp rh**2&
7202	+ 25.309_wp * rh - 2.4275_wp
7203	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7204	nano3_hcl = 21.632_wp * rh*4 - 53.088_wp rh*3 + 47.285_wp rh*2 - 18.519_wp rh &
7205	+ 2.6846_wp
7206	ENDIF
7207	ENDIF
7208
7209	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
7210	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7211	nacl_hcl = 5.4138_wp * rh*4 - 12.079_wp rh*3 + 9.627_wp rh*2 - 3.3164_wp rh + &
7212	0.35224_wp
7213	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7214	nacl_hcl = 2.432_wp * rh*3 - 4.3453_wp rh*2 + 2.3834_wp rh - 0.4762_wp
7215	ENDIF
7216	ENDIF
7217
7218	ln_HCL_act = binary_hcl + nitric_acid_eq_frac * hno3_hcl + sulphuric_acid_eq_frac * h2so4_hcl +&
7219	ammonium_sulphate_eq_frac * nh42so4_hcl + ammonium_nitrate_eq_frac * nh4no3_hcl + &
7220	ammonium_chloride_eq_frac * nh4cl_hcl + sodium_sulphate_eq_frac * na2so4_hcl + &
7221	sodium_nitrate_eq_frac * nano3_hcl + sodium_chloride_eq_frac * nacl_hcl
7222
7223	gamma_hcl = EXP( ln_HCL_act ) ! Molal activity coefficient
7224	gamma_out(2) = gamma_hcl
7225	!
7226	!-- Equilibrium constant after Wagman et al. (1982) (and NIST database)
7227	k_hcl = 2E6_wp * EXP( 9000.0_wp * henrys_temp_dep )
7228
7229	press_hcl = ( ions_mol(1) * ions_mol(7) * gamma_hcl**2 ) / k_hcl
7230	!
7231	!-- 5) Ion molility output
7232	mols_out = ions_mol
7233
7234	END SUBROUTINE inorganic_pdfite
7235
7236	!------------------------------------------------------------------------------!
7237	! Description:
7238	! ------------
7239	!> Update the particle size distribution. Put particles into corrects bins.
7240	!>
7241	!> Moving-centre method assumed, i.e. particles are allowed to grow to their
7242	!> exact size as long as they are not crossing the fixed diameter bin limits.
7243	!> If the particles in a size bin cross the lower or upper diameter limit, they
7244	!> are all moved to the adjacent diameter bin and their volume is averaged with
7245	!> the particles in the new bin, which then get a new diameter.
7246	!
7247	!> Moving-centre method minimises numerical diffusion.
7248	!------------------------------------------------------------------------------!
7249	SUBROUTINE distr_update( paero )
7250
7251	IMPLICIT NONE
7252
7253	INTEGER(iwp) :: ib !< loop index
7254	INTEGER(iwp) :: mm !< loop index
7255	INTEGER(iwp) :: counti !< number of while loops
7256
7257	LOGICAL :: within_bins !< logical (particle belongs to the bin?)
7258
7259	REAL(wp) :: znfrac !< number fraction to be moved to the larger bin
7260	REAL(wp) :: zvfrac !< volume fraction to be moved to the larger bin
7261	REAL(wp) :: zvexc !< Volume in the grown bin which exceeds the bin upper limit
7262	REAL(wp) :: zvihi !< particle volume at the high end of the bin
7263	REAL(wp) :: zvilo !< particle volume at the low end of the bin
7264	REAL(wp) :: zvpart !< particle volume (m3)
7265	REAL(wp) :: zvrat !< volume ratio of a size bin
7266
7267	real(wp), dimension(nbins_aerosol) :: dummy
7268
7269	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
7270
7271	zvpart = 0.0_wp
7272	zvfrac = 0.0_wp
7273	within_bins = .FALSE.
7274
7275	dummy = paero(:)%numc
7276	!
7277	!-- Check if the volume of the bin is within bin limits after update
7278	counti = 0
7279	DO WHILE ( .NOT. within_bins )
7280	within_bins = .TRUE.
7281	!
7282	!-- Loop from larger to smaller size bins
7283	DO ib = end_subrange_2b-1, start_subrange_1a, -1
7284	mm = 0
7285	IF ( paero(ib)%numc > nclim ) THEN
7286	zvpart = 0.0_wp
7287	zvfrac = 0.0_wp
7288
7289	IF ( ib == end_subrange_2a ) CYCLE
7290	!
7291	!-- Dry volume
7292	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc
7293	!
7294	!-- Smallest bin cannot decrease
7295	IF ( paero(ib)%vlolim > zvpart .AND. ib == start_subrange_1a ) CYCLE
7296	!
7297	!-- Decreasing bins
7298	IF ( paero(ib)%vlolim > zvpart ) THEN
7299	mm = ib - 1
7300	IF ( ib == start_subrange_2b ) mm = end_subrange_1a ! 2b goes to 1a
7301
7302	paero(mm)%numc = paero(mm)%numc + paero(ib)%numc
7303	paero(ib)%numc = 0.0_wp
7304	paero(mm)%volc(:) = paero(mm)%volc(:) + paero(ib)%volc(:)
7305	paero(ib)%volc(:) = 0.0_wp
7306	CYCLE
7307	ENDIF
7308	!
7309	!-- If size bin has not grown, cycle.
7310	!-- Changed by Mona: compare to the arithmetic mean volume, as done originally. Now
7311	!-- particle volume is derived from the geometric mean diameter, not arithmetic (see
7312	!-- SUBROUTINE set_sizebins).
7313	IF ( zvpart <= api6 * ( ( aero(ib)%vhilim + aero(ib)%vlolim ) / ( 2.0_wp * api6 ) ) ) &
7314	CYCLE
7315	!
7316	!-- Avoid precision problems
7317	IF ( ABS( zvpart - api6 * paero(ib)%dmid**3 ) < 1.0E-35_wp ) CYCLE
7318	!
7319	!-- Volume ratio of the size bin
7320	zvrat = paero(ib)%vhilim / paero(ib)%vlolim
7321	!
7322	!-- Particle volume at the low end of the bin
7323	zvilo = 2.0_wp * zvpart / ( 1.0_wp + zvrat )
7324	!
7325	!-- Particle volume at the high end of the bin
7326	zvihi = zvrat * zvilo
7327	!
7328	!-- Volume in the grown bin which exceeds the bin upper limit
7329	zvexc = 0.5_wp * ( zvihi + paero(ib)%vhilim )
7330	!
7331	!-- Number fraction to be moved to the larger bin
7332	znfrac = MIN( 1.0_wp, ( zvihi - paero(ib)%vhilim) / ( zvihi - zvilo ) )
7333	!
7334	!-- Volume fraction to be moved to the larger bin
7335	zvfrac = MIN( 0.99_wp, znfrac * zvexc / zvpart )
7336	IF ( zvfrac < 0.0_wp ) THEN
7337	message_string = 'Error: zvfrac < 0'
7338	CALL message( 'salsa_mod: distr_update', 'PA0624', 1, 2, 0, 6, 0 )
7339	ENDIF
7340	!
7341	!-- Update bin
7342	mm = ib + 1
7343	!
7344	!-- Volume (cm3/cm3)
7345	paero(mm)%volc(:) = paero(mm)%volc(:) + znfrac * paero(ib)%numc * zvexc * &
7346	paero(ib)%volc(:) / SUM( paero(ib)%volc(1:7) )
7347	paero(ib)%volc(:) = paero(ib)%volc(:) - znfrac * paero(ib)%numc * zvexc * &
7348	paero(ib)%volc(:) / SUM( paero(ib)%volc(1:7) )
7349
7350	!-- Number concentration (#/m3)
7351	paero(mm)%numc = paero(mm)%numc + znfrac * paero(ib)%numc
7352	paero(ib)%numc = paero(ib)%numc * ( 1.0_wp - znfrac )
7353
7354	ENDIF ! nclim
7355
7356	IF ( paero(ib)%numc > nclim ) THEN
7357	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc ! Note: dry volume!
7358	within_bins = ( paero(ib)%vlolim < zvpart .AND. zvpart < paero(ib)%vhilim )
7359	ENDIF
7360
7361	ENDDO ! - ib
7362
7363	counti = counti + 1
7364	IF ( counti > 100 ) THEN
7365	message_string = 'Error: Aerosol bin update not converged'
7366	CALL message( 'salsa_mod: distr_update', 'PA0625', 1, 2, 0, 6, 0 )
7367	ENDIF
7368
7369	ENDDO ! - within bins
7370
7371	END SUBROUTINE distr_update
7372
7373	!------------------------------------------------------------------------------!
7374	! Description:
7375	! ------------
7376	!> salsa_diagnostics: Update properties for the current timestep:
7377	!>
7378	!> Juha Tonttila, FMI, 2014
7379	!> Tomi Raatikainen, FMI, 2016
7380	!------------------------------------------------------------------------------!
7381	SUBROUTINE salsa_diagnostics( i, j )
7382
7383	USE cpulog, &
7384	ONLY: cpu_log, log_point_s
7385
7386	IMPLICIT NONE
7387
7388	INTEGER(iwp) :: ib !<
7389	INTEGER(iwp) :: ic !<
7390	INTEGER(iwp) :: icc !<
7391	INTEGER(iwp) :: ig !<
7392	INTEGER(iwp) :: k !<
7393
7394	INTEGER(iwp), INTENT(in) :: i !<
7395	INTEGER(iwp), INTENT(in) :: j !<
7396
7397	REAL(wp), DIMENSION(nzb:nzt+1) :: flag !< flag to mask topography
7398	REAL(wp), DIMENSION(nzb:nzt+1) :: flag_zddry !< flag to mask zddry
7399	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
7400	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure
7401	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
7402	REAL(wp), DIMENSION(nzb:nzt+1) :: mcsum !< sum of mass concentration
7403	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor: ppm to #/m3
7404	REAL(wp), DIMENSION(nzb:nzt+1) :: zddry !< particle dry diameter
7405	REAL(wp), DIMENSION(nzb:nzt+1) :: zvol !< particle volume
7406
7407	flag_zddry = 0.0_wp
7408	in_adn = 0.0_wp
7409	in_p = 0.0_wp
7410	in_t = 0.0_wp
7411	ppm_to_nconc = 1.0_wp
7412	zddry = 0.0_wp
7413	zvol = 0.0_wp
7414
7415	!$OMP MASTER
7416	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'start' )
7417	!$OMP END MASTER
7418
7419	!
7420	!-- Calculate thermodynamic quantities needed in SALSA
7421	CALL salsa_thrm_ij( i, j, p_ij=in_p, temp_ij=in_t, adn_ij=in_adn )
7422	!
7423	!-- Calculate conversion factors for gas concentrations
7424	ppm_to_nconc = for_ppm_to_nconc * in_p / in_t
7425	!
7426	!-- Predetermine flag to mask topography
7427	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(:,j,i), 0 ) )
7428
7429	DO ib = 1, nbins_aerosol ! aerosol size bins
7430	!
7431	!-- Remove negative values
7432	aerosol_number(ib)%conc(:,j,i) = MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) * flag
7433	!
7434	!-- Calculate total mass concentration per bin
7435	mcsum = 0.0_wp
7436	DO ic = 1, ncomponents_mass
7437	icc = ( ic - 1 ) * nbins_aerosol + ib
7438	mcsum = mcsum + aerosol_mass(icc)%conc(:,j,i) * flag
7439	aerosol_mass(icc)%conc(:,j,i) = MAX( mclim, aerosol_mass(icc)%conc(:,j,i) ) * flag
7440	ENDDO
7441	!
7442	!-- Check that number and mass concentration match qualitatively
7443	IF ( ANY( aerosol_number(ib)%conc(:,j,i) > nclim .AND. mcsum <= 0.0_wp ) ) THEN
7444	DO k = nzb+1, nzt
7445	IF ( aerosol_number(ib)%conc(k,j,i) >= nclim .AND. mcsum(k) <= 0.0_wp ) THEN
7446	aerosol_number(ib)%conc(k,j,i) = nclim * flag(k)
7447	DO ic = 1, ncomponents_mass
7448	icc = ( ic - 1 ) * nbins_aerosol + ib
7449	aerosol_mass(icc)%conc(k,j,i) = mclim * flag(k)
7450	ENDDO
7451	ENDIF
7452	ENDDO
7453	ENDIF
7454	!
7455	!-- Update aerosol particle radius
7456	CALL bin_mixrat( 'dry', ib, i, j, zvol )
7457	zvol = zvol / arhoh2so4 ! Why on sulphate?
7458	!
7459	!-- Particles smaller then 0.1 nm diameter are set to zero
7460	zddry = ( zvol / MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) / api6 )**0.33333333_wp
7461	flag_zddry = MERGE( 1.0_wp, 0.0_wp, ( zddry < 1.0E-10_wp .AND. &
7462	aerosol_number(ib)%conc(:,j,i) > nclim ) )
7463	!
7464	!-- Volatile species to the gas phase
7465	IF ( index_so4 > 0 .AND. lscndgas ) THEN
7466	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
7467	IF ( salsa_gases_from_chem ) THEN
7468	ig = gas_index_chem(1)
7469	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7470	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7471	( amh2so4 * ppm_to_nconc ) * flag
7472	ELSE
7473	salsa_gas(1)%conc(:,j,i) = salsa_gas(1)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7474	amh2so4 * avo * flag_zddry * flag
7475	ENDIF
7476	ENDIF
7477	IF ( index_oc > 0 .AND. lscndgas ) THEN
7478	ic = ( index_oc - 1 ) * nbins_aerosol + ib
7479	IF ( salsa_gases_from_chem ) THEN
7480	ig = gas_index_chem(5)
7481	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7482	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7483	( amoc * ppm_to_nconc ) * flag
7484	ELSE
7485	salsa_gas(5)%conc(:,j,i) = salsa_gas(5)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7486	amoc * avo * flag_zddry * flag
7487	ENDIF
7488	ENDIF
7489	IF ( index_no > 0 .AND. lscndgas ) THEN
7490	ic = ( index_no - 1 ) * nbins_aerosol + ib
7491	IF ( salsa_gases_from_chem ) THEN
7492	ig = gas_index_chem(2)
7493	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7494	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7495	( amhno3 * ppm_to_nconc ) *flag
7496	ELSE
7497	salsa_gas(2)%conc(:,j,i) = salsa_gas(2)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7498	amhno3 * avo * flag_zddry * flag
7499	ENDIF
7500	ENDIF
7501	IF ( index_nh > 0 .AND. lscndgas ) THEN
7502	ic = ( index_nh - 1 ) * nbins_aerosol + ib
7503	IF ( salsa_gases_from_chem ) THEN
7504	ig = gas_index_chem(3)
7505	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7506	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7507	( amnh3 * ppm_to_nconc ) *flag
7508	ELSE
7509	salsa_gas(3)%conc(:,j,i) = salsa_gas(3)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7510	amnh3 * avo * flag_zddry *flag
7511	ENDIF
7512	ENDIF
7513	!
7514	!-- Mass and number to zero (insoluble species and water are lost)
7515	DO ic = 1, ncomponents_mass
7516	icc = ( ic - 1 ) * nbins_aerosol + ib
7517	aerosol_mass(icc)%conc(:,j,i) = MERGE( mclim * flag, aerosol_mass(icc)%conc(:,j,i), &
7518	flag_zddry > 0.0_wp )
7519	ENDDO
7520	aerosol_number(ib)%conc(:,j,i) = MERGE( nclim * flag, aerosol_number(ib)%conc(:,j,i), &
7521	flag_zddry > 0.0_wp )
7522	ra_dry(:,j,i,ib) = MAX( 1.0E-10_wp, 0.5_wp * zddry )
7523
7524	ENDDO
7525	IF ( .NOT. salsa_gases_from_chem ) THEN
7526	DO ig = 1, ngases_salsa
7527	salsa_gas(ig)%conc(:,j,i) = MAX( nclim, salsa_gas(ig)%conc(:,j,i) ) * flag
7528	ENDDO
7529	ENDIF
7530
7531	!$OMP MASTER
7532	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'stop' )
7533	!$OMP END MASTER
7534
7535	END SUBROUTINE salsa_diagnostics
7536
7537
7538	!------------------------------------------------------------------------------!
7539	! Description:
7540	! ------------
7541	!> Call for all grid points
7542	!------------------------------------------------------------------------------!
7543	SUBROUTINE salsa_actions( location )
7544
7545
7546	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7547
7548	SELECT CASE ( location )
7549
7550	CASE ( 'before_timestep' )
7551
7552	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7553
7554	CASE DEFAULT
7555	CONTINUE
7556
7557	END SELECT
7558
7559	END SUBROUTINE salsa_actions
7560
7561
7562	!------------------------------------------------------------------------------!
7563	! Description:
7564	! ------------
7565	!> Call for grid points i,j
7566	!------------------------------------------------------------------------------!
7567
7568	SUBROUTINE salsa_actions_ij( i, j, location )
7569
7570
7571	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7572	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7573	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7574	INTEGER(iwp) :: dummy !< call location string
7575
7576	IF ( salsa ) dummy = i + j
7577
7578	SELECT CASE ( location )
7579
7580	CASE ( 'before_timestep' )
7581
7582	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7583
7584	CASE DEFAULT
7585	CONTINUE
7586
7587	END SELECT
7588
7589
7590	END SUBROUTINE salsa_actions_ij
7591
7592	!------------------------------------------------------------------------------!
7593	! Description:
7594	! ------------
7595	!> Call for all grid points
7596	!------------------------------------------------------------------------------!
7597	SUBROUTINE salsa_non_advective_processes
7598
7599	USE cpulog, &
7600	ONLY: cpu_log, log_point_s
7601
7602	IMPLICIT NONE
7603
7604	INTEGER(iwp) :: i !<
7605	INTEGER(iwp) :: j !<
7606
7607	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7608	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7609	!
7610	!-- Calculate aerosol dynamic processes. salsa_driver can be run with a longer time step.
7611	CALL cpu_log( log_point_s(90), 'salsa processes ', 'start' )
7612	DO i = nxl, nxr
7613	DO j = nys, nyn
7614	CALL salsa_diagnostics( i, j )
7615	CALL salsa_driver( i, j, 3 )
7616	CALL salsa_diagnostics( i, j )
7617	ENDDO
7618	ENDDO
7619	CALL cpu_log( log_point_s(90), 'salsa processes ', 'stop' )
7620	ENDIF
7621	ENDIF
7622
7623	END SUBROUTINE salsa_non_advective_processes
7624
7625
7626	!------------------------------------------------------------------------------!
7627	! Description:
7628	! ------------
7629	!> Call for grid points i,j
7630	!------------------------------------------------------------------------------!
7631	SUBROUTINE salsa_non_advective_processes_ij( i, j )
7632
7633	USE cpulog, &
7634	ONLY: cpu_log, log_point_s
7635
7636	IMPLICIT NONE
7637
7638	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7639	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7640
7641	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7642	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7643	!
7644	!-- Calculate aerosol dynamic processes. salsa_driver can be run with a longer time step.
7645	CALL cpu_log( log_point_s(90), 'salsa processes ', 'start' )
7646	CALL salsa_diagnostics( i, j )
7647	CALL salsa_driver( i, j, 3 )
7648	CALL salsa_diagnostics( i, j )
7649	CALL cpu_log( log_point_s(90), 'salsa processes ', 'stop' )
7650	ENDIF
7651	ENDIF
7652
7653	END SUBROUTINE salsa_non_advective_processes_ij
7654
7655	!------------------------------------------------------------------------------!
7656	! Description:
7657	! ------------
7658	!> Routine for exchange horiz of salsa variables.
7659	!------------------------------------------------------------------------------!
7660	SUBROUTINE salsa_exchange_horiz_bounds
7661
7662	USE cpulog, &
7663	ONLY: cpu_log, log_point_s
7664
7665	IMPLICIT NONE
7666
7667	INTEGER(iwp) :: ib !<
7668	INTEGER(iwp) :: ic !<
7669	INTEGER(iwp) :: icc !<
7670	INTEGER(iwp) :: ig !<
7671
7672	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7673	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7674
7675	CALL cpu_log( log_point_s(91), 'salsa exch-horiz ', 'start' )
7676	!
7677	!-- Exchange ghost points and decycle if needed.
7678	DO ib = 1, nbins_aerosol
7679	CALL exchange_horiz( aerosol_number(ib)%conc, nbgp )
7680	CALL salsa_boundary_conds( aerosol_number(ib)%conc, aerosol_number(ib)%init )
7681	DO ic = 1, ncomponents_mass
7682	icc = ( ic - 1 ) * nbins_aerosol + ib
7683	CALL exchange_horiz( aerosol_mass(icc)%conc, nbgp )
7684	CALL salsa_boundary_conds( aerosol_mass(icc)%conc, aerosol_mass(icc)%init )
7685	ENDDO
7686	ENDDO
7687	IF ( .NOT. salsa_gases_from_chem ) THEN
7688	DO ig = 1, ngases_salsa
7689	CALL exchange_horiz( salsa_gas(ig)%conc, nbgp )
7690	CALL salsa_boundary_conds( salsa_gas(ig)%conc, salsa_gas(ig)%init )
7691	ENDDO
7692	ENDIF
7693	CALL cpu_log( log_point_s(91), 'salsa exch-horiz ', 'stop' )
7694	!
7695	!-- Update last_salsa_time
7696	last_salsa_time = time_since_reference_point
7697	ENDIF
7698	ENDIF
7699
7700	END SUBROUTINE salsa_exchange_horiz_bounds
7701
7702	!------------------------------------------------------------------------------!
7703	! Description:
7704	! ------------
7705	!> Calculate the prognostic equation for aerosol number and mass, and gas
7706	!> concentrations. Cache-optimized.
7707	!------------------------------------------------------------------------------!
7708	SUBROUTINE salsa_prognostic_equations_ij( i, j, i_omp_start, tn )
7709
7710	IMPLICIT NONE
7711
7712	INTEGER(iwp) :: i !<
7713	INTEGER(iwp) :: i_omp_start !<
7714	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7715	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7716	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7717	INTEGER(iwp) :: ig !< loop index for salsa gases
7718	INTEGER(iwp) :: j !<
7719	INTEGER(iwp) :: tn !<
7720
7721	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7722	!
7723	!-- Aerosol number
7724	DO ib = 1, nbins_aerosol
7725	!kk sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7726	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7727	aerosol_number(ib)%tconc_m, i, j, i_omp_start, tn, ib, ib, &
7728	aerosol_number(ib)%flux_s, aerosol_number(ib)%diss_s, &
7729	aerosol_number(ib)%flux_l, aerosol_number(ib)%diss_l, &
7730	aerosol_number(ib)%init, .TRUE. )
7731	!kk aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7732	!
7733	!-- Aerosol mass
7734	DO ic = 1, ncomponents_mass
7735	icc = ( ic - 1 ) * nbins_aerosol + ib
7736	!kk sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7737	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7738	aerosol_mass(icc)%tconc_m, i, j, i_omp_start, tn, ib, ic, &
7739	aerosol_mass(icc)%flux_s, aerosol_mass(icc)%diss_s, &
7740	aerosol_mass(icc)%flux_l, aerosol_mass(icc)%diss_l, &
7741	aerosol_mass(icc)%init, .TRUE. )
7742	!kk aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7743
7744	ENDDO ! ic
7745	ENDDO ! ib
7746	!
7747	!-- Gases
7748	IF ( .NOT. salsa_gases_from_chem ) THEN
7749
7750	DO ig = 1, ngases_salsa
7751	!kk sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7752	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7753	salsa_gas(ig)%tconc_m, i, j, i_omp_start, tn, ig, ig, &
7754	salsa_gas(ig)%flux_s, salsa_gas(ig)%diss_s, salsa_gas(ig)%flux_l,&
7755	salsa_gas(ig)%diss_l, salsa_gas(ig)%init, .FALSE. )
7756	!kk salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7757
7758	ENDDO ! ig
7759
7760	ENDIF
7761
7762	ENDIF
7763
7764	END SUBROUTINE salsa_prognostic_equations_ij
7765	!
7766	!------------------------------------------------------------------------------!
7767	! Description:
7768	! ------------
7769	!> Calculate the prognostic equation for aerosol number and mass, and gas
7770	!> concentrations. For vector machines.
7771	!------------------------------------------------------------------------------!
7772	SUBROUTINE salsa_prognostic_equations()
7773
7774	IMPLICIT NONE
7775
7776	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7777	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7778	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7779	INTEGER(iwp) :: ig !< loop index for salsa gases
7780
7781	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7782	!
7783	!-- Aerosol number
7784	DO ib = 1, nbins_aerosol
7785	sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7786	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7787	aerosol_number(ib)%tconc_m, ib, ib, aerosol_number(ib)%init, .TRUE. )
7788	aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7789	!
7790	!-- Aerosol mass
7791	DO ic = 1, ncomponents_mass
7792	icc = ( ic - 1 ) * nbins_aerosol + ib
7793	sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7794	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7795	aerosol_mass(icc)%tconc_m, ib, ic, aerosol_mass(icc)%init, .TRUE. )
7796	aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7797
7798	ENDDO ! ic
7799	ENDDO ! ib
7800	!
7801	!-- Gases
7802	IF ( .NOT. salsa_gases_from_chem ) THEN
7803
7804	DO ig = 1, ngases_salsa
7805	sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7806	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7807	salsa_gas(ig)%tconc_m, ig, ig, salsa_gas(ig)%init, .FALSE. )
7808	salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7809
7810	ENDDO ! ig
7811
7812	ENDIF
7813
7814	ENDIF
7815
7816	END SUBROUTINE salsa_prognostic_equations
7817	!
7818	!------------------------------------------------------------------------------!
7819	! Description:
7820	! ------------
7821	!> Tendencies for aerosol number and mass and gas concentrations.
7822	!> Cache-optimized.
7823	!------------------------------------------------------------------------------!
7824	SUBROUTINE salsa_tendency_ij( id, rs_p, rs, trs_m, i, j, i_omp_start, tn, ib, ic, flux_s, diss_s, &
7825	flux_l, diss_l, rs_init, do_sedimentation )
7826
7827	USE advec_ws, &
7828	ONLY: advec_s_ws
7829
7830	USE advec_s_pw_mod, &
7831	ONLY: advec_s_pw
7832
7833	USE advec_s_up_mod, &
7834	ONLY: advec_s_up
7835
7836	USE arrays_3d, &
7837	ONLY: ddzu, rdf_sc, tend
7838
7839	USE diffusion_s_mod, &
7840	ONLY: diffusion_s
7841
7842	USE indices, &
7843	ONLY: wall_flags_0
7844
7845	USE surface_mod, &
7846	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7847
7848	IMPLICIT NONE
7849
7850	CHARACTER(LEN = *) :: id !<
7851
7852	INTEGER(iwp) :: i !<
7853	INTEGER(iwp) :: i_omp_start !<
7854	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7855	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7856	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7857	INTEGER(iwp) :: j !<
7858	INTEGER(iwp) :: k !<
7859	INTEGER(iwp) :: tn !<
7860
7861	LOGICAL :: do_sedimentation !<
7862
7863	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7864
7865	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s !<
7866	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s !<
7867
7868	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l !<
7869	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l !<
7870
7871	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: rs_p !<
7872	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: rs !<
7873	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: trs_m !<
7874
7875	icc = ( ic - 1 ) * nbins_aerosol + ib
7876	!
7877	!-- Tendency-terms for reactive scalar
7878	tend(:,j,i) = 0.0_wp
7879	!
7880	!-- Advection terms
7881	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7882	IF ( ws_scheme_sca ) THEN
7883	CALL advec_s_ws( salsa_advc_flags_s, i, j, rs, id, flux_s, diss_s, flux_l, diss_l, &
7884	i_omp_start, tn, bc_dirichlet_l .OR. bc_radiation_l, &
7885	bc_dirichlet_n .OR. bc_radiation_n, &
7886	bc_dirichlet_r .OR. bc_radiation_r, &
7887	bc_dirichlet_s .OR. bc_radiation_s, monotonic_limiter_z )
7888	ELSE
7889	CALL advec_s_pw( i, j, rs )
7890	ENDIF
7891	ELSE
7892	CALL advec_s_up( i, j, rs )
7893	ENDIF
7894	!
7895	!-- Diffusion terms
7896	SELECT CASE ( id )
7897	CASE ( 'aerosol_number' )
7898	CALL diffusion_s( i, j, rs, surf_def_h(0)%answs(:,ib), &
7899	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
7900	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
7901	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
7902	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
7903	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
7904	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
7905	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
7906	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
7907	CASE ( 'aerosol_mass' )
7908	CALL diffusion_s( i, j, rs, surf_def_h(0)%amsws(:,icc), &
7909	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
7910	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
7911	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
7912	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
7913	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
7914	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
7915	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
7916	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
7917	CASE ( 'salsa_gas' )
7918	CALL diffusion_s( i, j, rs, surf_def_h(0)%gtsws(:,ib), &
7919	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
7920	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
7921	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
7922	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
7923	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
7924	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
7925	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
7926	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
7927	END SELECT
7928	!
7929	!-- Sedimentation and prognostic equation for aerosol number and mass
7930	IF ( lsdepo .AND. do_sedimentation ) THEN
7931	!DIR$ IVDEP
7932	DO k = nzb+1, nzt
7933	tend(k,j,i) = tend(k,j,i) - MAX( 0.0_wp, ( rs(k+1,j,i) * sedim_vd(k+1,j,i,ib) - &
7934	rs(k,j,i) * sedim_vd(k,j,i,ib) ) * ddzu(k) ) &
7935	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k-1,j,i), 0 ) )
7936	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7937	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) ) &
7938	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7939	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7940	ENDDO
7941	ELSE
7942	!
7943	!-- Prognostic equation
7944	!DIR$ IVDEP
7945	DO k = nzb+1, nzt
7946	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7947	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) )&
7948	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7949	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7950	ENDDO
7951	ENDIF
7952	!
7953	!-- Calculate tendencies for the next Runge-Kutta step
7954	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7955	IF ( intermediate_timestep_count == 1 ) THEN
7956	DO k = nzb+1, nzt
7957	trs_m(k,j,i) = tend(k,j,i)
7958	ENDDO
7959	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
7960	DO k = nzb+1, nzt
7961	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
7962	ENDDO
7963	ENDIF
7964	ENDIF
7965
7966	END SUBROUTINE salsa_tendency_ij
7967	!
7968	!------------------------------------------------------------------------------!
7969	! Description:
7970	! ------------
7971	!> Calculate the tendencies for aerosol number and mass concentrations.
7972	!> For vector machines.
7973	!------------------------------------------------------------------------------!
7974	SUBROUTINE salsa_tendency( id, rs_p, rs, trs_m, ib, ic, rs_init, do_sedimentation )
7975
7976	USE advec_ws, &
7977	ONLY: advec_s_ws
7978	USE advec_s_pw_mod, &
7979	ONLY: advec_s_pw
7980	USE advec_s_up_mod, &
7981	ONLY: advec_s_up
7982	USE arrays_3d, &
7983	ONLY: ddzu, rdf_sc, tend
7984	USE diffusion_s_mod, &
7985	ONLY: diffusion_s
7986	USE indices, &
7987	ONLY: wall_flags_0
7988	USE surface_mod, &
7989	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7990
7991	IMPLICIT NONE
7992
7993	CHARACTER(LEN = *) :: id
7994
7995	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7996	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7997	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7998	INTEGER(iwp) :: i !<
7999	INTEGER(iwp) :: j !<
8000	INTEGER(iwp) :: k !<
8001
8002	LOGICAL :: do_sedimentation !<
8003
8004	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
8005
8006	REAL(wp), DIMENSION(:,:,:), POINTER :: rs_p !<
8007	REAL(wp), DIMENSION(:,:,:), POINTER :: rs !<
8008	REAL(wp), DIMENSION(:,:,:), POINTER :: trs_m !<
8009
8010	icc = ( ic - 1 ) * nbins_aerosol + ib
8011	!
8012	!-- Tendency-terms for reactive scalar
8013	tend = 0.0_wp
8014	!
8015	!-- Advection terms
8016	IF ( timestep_scheme(1:5) == 'runge' ) THEN
8017	IF ( ws_scheme_sca ) THEN
8018	CALL advec_s_ws( salsa_advc_flags_s, rs, id, bc_dirichlet_l .OR. bc_radiation_l, &
8019	bc_dirichlet_n .OR. bc_radiation_n, &
8020	bc_dirichlet_r .OR. bc_radiation_r, &
8021	bc_dirichlet_s .OR. bc_radiation_s )
8022	ELSE
8023	CALL advec_s_pw( rs )
8024	ENDIF
8025	ELSE
8026	CALL advec_s_up( rs )
8027	ENDIF
8028	!
8029	!-- Diffusion terms
8030	SELECT CASE ( id )
8031	CASE ( 'aerosol_number' )
8032	CALL diffusion_s( rs, surf_def_h(0)%answs(:,ib), &
8033	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
8034	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
8035	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
8036	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
8037	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
8038	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
8039	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
8040	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
8041	CASE ( 'aerosol_mass' )
8042	CALL diffusion_s( rs, surf_def_h(0)%amsws(:,icc), &
8043	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
8044	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
8045	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
8046	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
8047	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
8048	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
8049	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
8050	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
8051	CASE ( 'salsa_gas' )
8052	CALL diffusion_s( rs, surf_def_h(0)%gtsws(:,ib), &
8053	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
8054	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
8055	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
8056	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
8057	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
8058	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
8059	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
8060	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
8061	END SELECT
8062	!
8063	!-- Prognostic equation for a scalar
8064	DO i = nxl, nxr
8065	DO j = nys, nyn
8066	!
8067	!-- Sedimentation for aerosol number and mass
8068	IF ( lsdepo .AND. do_sedimentation ) THEN
8069	tend(nzb+1:nzt,j,i) = tend(nzb+1:nzt,j,i) - MAX( 0.0_wp, ( rs(nzb+2:nzt+1,j,i) * &
8070	sedim_vd(nzb+2:nzt+1,j,i,ib) - rs(nzb+1:nzt,j,i) * &
8071	sedim_vd(nzb+1:nzt,j,i,ib) ) * ddzu(nzb+1:nzt) ) * &
8072	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(nzb:nzt-1,j,i), 0 ) )
8073	ENDIF
8074	DO k = nzb+1, nzt
8075	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) )&
8076	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) )&
8077	) * MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8078	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
8079	ENDDO
8080	ENDDO
8081	ENDDO
8082	!
8083	!-- Calculate tendencies for the next Runge-Kutta step
8084	IF ( timestep_scheme(1:5) == 'runge' ) THEN
8085	IF ( intermediate_timestep_count == 1 ) THEN
8086	DO i = nxl, nxr
8087	DO j = nys, nyn
8088	DO k = nzb+1, nzt
8089	trs_m(k,j,i) = tend(k,j,i)
8090	ENDDO
8091	ENDDO
8092	ENDDO
8093	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
8094	DO i = nxl, nxr
8095	DO j = nys, nyn
8096	DO k = nzb+1, nzt
8097	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
8098	ENDDO
8099	ENDDO
8100	ENDDO
8101	ENDIF
8102	ENDIF
8103
8104	END SUBROUTINE salsa_tendency
8105
8106
8107	!------------------------------------------------------------------------------!
8108	! Description:
8109	! ------------
8110	!> Boundary conditions for prognostic variables in SALSA from module interface
8111	!------------------------------------------------------------------------------!
8112	SUBROUTINE salsa_boundary_conditions
8113
8114	IMPLICIT NONE
8115
8116	INTEGER(iwp) :: ib !< index for aerosol size bins
8117	INTEGER(iwp) :: ic !< index for aerosol mass bins
8118	INTEGER(iwp) :: icc !< additional index for aerosol mass bins
8119	INTEGER(iwp) :: ig !< index for salsa gases
8120
8121
8122	!
8123	!-- moved from boundary_conds
8124	CALL salsa_boundary_conds
8125	!
8126	!-- Boundary conditions for prognostic quantitites of other modules:
8127	!-- Here, only decycling is carried out
8128	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8129
8130	DO ib = 1, nbins_aerosol
8131	CALL salsa_boundary_conds( aerosol_number(ib)%conc_p, aerosol_number(ib)%init )
8132	DO ic = 1, ncomponents_mass
8133	icc = ( ic - 1 ) * nbins_aerosol + ib
8134	CALL salsa_boundary_conds( aerosol_mass(icc)%conc_p, aerosol_mass(icc)%init )
8135	ENDDO
8136	ENDDO
8137	IF ( .NOT. salsa_gases_from_chem ) THEN
8138	DO ig = 1, ngases_salsa
8139	CALL salsa_boundary_conds( salsa_gas(ig)%conc_p, salsa_gas(ig)%init )
8140	ENDDO
8141	ENDIF
8142
8143	ENDIF
8144
8145	END SUBROUTINE salsa_boundary_conditions
8146
8147	!------------------------------------------------------------------------------!
8148	! Description:
8149	! ------------
8150	!> Boundary conditions for prognostic variables in SALSA
8151	!------------------------------------------------------------------------------!
8152	SUBROUTINE salsa_boundary_conds
8153
8154	USE arrays_3d, &
8155	ONLY: dzu
8156
8157	USE surface_mod, &
8158	ONLY : bc_h
8159
8160	IMPLICIT NONE
8161
8162	INTEGER(iwp) :: i !< grid index x direction
8163	INTEGER(iwp) :: ib !< index for aerosol size bins
8164	INTEGER(iwp) :: ic !< index for chemical compounds in aerosols
8165	INTEGER(iwp) :: icc !< additional index for chemical compounds in aerosols
8166	INTEGER(iwp) :: ig !< idex for gaseous compounds
8167	INTEGER(iwp) :: j !< grid index y direction
8168	INTEGER(iwp) :: k !< grid index y direction
8169	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls
8170	INTEGER(iwp) :: m !< running index surface elements
8171
8172	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8173	!
8174	!-- Surface conditions:
8175	IF ( ibc_salsa_b == 0 ) THEN ! Dirichlet
8176	!
8177	!-- Run loop over all non-natural and natural walls. Note, in wall-datatype the k coordinate
8178	!-- belongs to the atmospheric grid point, therefore, set s_p at k-1
8179	DO l = 0, 1
8180	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
8181	!$OMP DO
8182	DO m = 1, bc_h(l)%ns
8183
8184	i = bc_h(l)%i(m)
8185	j = bc_h(l)%j(m)
8186	k = bc_h(l)%k(m)
8187
8188	DO ib = 1, nbins_aerosol
8189	aerosol_number(ib)%conc_p(k+bc_h(l)%koff,j,i) = &
8190	aerosol_number(ib)%conc(k+bc_h(l)%koff,j,i)
8191	DO ic = 1, ncomponents_mass
8192	icc = ( ic - 1 ) * nbins_aerosol + ib
8193	aerosol_mass(icc)%conc_p(k+bc_h(l)%koff,j,i) = &
8194	aerosol_mass(icc)%conc(k+bc_h(l)%koff,j,i)
8195	ENDDO
8196	ENDDO
8197	IF ( .NOT. salsa_gases_from_chem ) THEN
8198	DO ig = 1, ngases_salsa
8199	salsa_gas(ig)%conc_p(k+bc_h(l)%koff,j,i) = &
8200	salsa_gas(ig)%conc(k+bc_h(l)%koff,j,i)
8201	ENDDO
8202	ENDIF
8203
8204	ENDDO
8205	!$OMP END PARALLEL
8206
8207	ENDDO
8208
8209	ELSE ! Neumann
8210
8211	DO l = 0, 1
8212	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
8213	!$OMP DO
8214	DO m = 1, bc_h(l)%ns
8215
8216	i = bc_h(l)%i(m)
8217	j = bc_h(l)%j(m)
8218	k = bc_h(l)%k(m)
8219
8220	DO ib = 1, nbins_aerosol
8221	aerosol_number(ib)%conc_p(k+bc_h(l)%koff,j,i) = &
8222	aerosol_number(ib)%conc_p(k,j,i)
8223	DO ic = 1, ncomponents_mass
8224	icc = ( ic - 1 ) * nbins_aerosol + ib
8225	aerosol_mass(icc)%conc_p(k+bc_h(l)%koff,j,i) = &
8226	aerosol_mass(icc)%conc_p(k,j,i)
8227	ENDDO
8228	ENDDO
8229	IF ( .NOT. salsa_gases_from_chem ) THEN
8230	DO ig = 1, ngases_salsa
8231	salsa_gas(ig)%conc_p(k+bc_h(l)%koff,j,i) = &
8232	salsa_gas(ig)%conc_p(k,j,i)
8233	ENDDO
8234	ENDIF
8235
8236	ENDDO
8237	!$OMP END PARALLEL
8238	ENDDO
8239
8240	ENDIF
8241	!
8242	!-- Top boundary conditions:
8243	IF ( ibc_salsa_t == 0 ) THEN ! Dirichlet
8244
8245	DO ib = 1, nbins_aerosol
8246	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc(nzt+1,:,:)
8247	DO ic = 1, ncomponents_mass
8248	icc = ( ic - 1 ) * nbins_aerosol + ib
8249	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc(nzt+1,:,:)
8250	ENDDO
8251	ENDDO
8252	IF ( .NOT. salsa_gases_from_chem ) THEN
8253	DO ig = 1, ngases_salsa
8254	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc(nzt+1,:,:)
8255	ENDDO
8256	ENDIF
8257
8258	ELSEIF ( ibc_salsa_t == 1 ) THEN ! Neumann
8259
8260	DO ib = 1, nbins_aerosol
8261	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:)
8262	DO ic = 1, ncomponents_mass
8263	icc = ( ic - 1 ) * nbins_aerosol + ib
8264	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:)
8265	ENDDO
8266	ENDDO
8267	IF ( .NOT. salsa_gases_from_chem ) THEN
8268	DO ig = 1, ngases_salsa
8269	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:)
8270	ENDDO
8271	ENDIF
8272
8273	ELSEIF ( ibc_salsa_t == 2 ) THEN ! Initial gradient
8274
8275	DO ib = 1, nbins_aerosol
8276	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:) + &
8277	bc_an_t_val(ib) * dzu(nzt+1)
8278	DO ic = 1, ncomponents_mass
8279	icc = ( ic - 1 ) * nbins_aerosol + ib
8280	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:) + &
8281	bc_am_t_val(icc) * dzu(nzt+1)
8282	ENDDO
8283	ENDDO
8284	IF ( .NOT. salsa_gases_from_chem ) THEN
8285	DO ig = 1, ngases_salsa
8286	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:) + &
8287	bc_gt_t_val(ig) * dzu(nzt+1)
8288	ENDDO
8289	ENDIF
8290
8291	ENDIF
8292	!
8293	!-- Lateral boundary conditions at the outflow
8294	IF ( bc_radiation_s ) THEN
8295	DO ib = 1, nbins_aerosol
8296	aerosol_number(ib)%conc_p(:,nys-1,:) = aerosol_number(ib)%conc_p(:,nys,:)
8297	DO ic = 1, ncomponents_mass
8298	icc = ( ic - 1 ) * nbins_aerosol + ib
8299	aerosol_mass(icc)%conc_p(:,nys-1,:) = aerosol_mass(icc)%conc_p(:,nys,:)
8300	ENDDO
8301	ENDDO
8302	IF ( .NOT. salsa_gases_from_chem ) THEN
8303	DO ig = 1, ngases_salsa
8304	salsa_gas(ig)%conc_p(:,nys-1,:) = salsa_gas(ig)%conc_p(:,nys,:)
8305	ENDDO
8306	ENDIF
8307
8308	ELSEIF ( bc_radiation_n ) THEN
8309	DO ib = 1, nbins_aerosol
8310	aerosol_number(ib)%conc_p(:,nyn+1,:) = aerosol_number(ib)%conc_p(:,nyn,:)
8311	DO ic = 1, ncomponents_mass
8312	icc = ( ic - 1 ) * nbins_aerosol + ib
8313	aerosol_mass(icc)%conc_p(:,nyn+1,:) = aerosol_mass(icc)%conc_p(:,nyn,:)
8314	ENDDO
8315	ENDDO
8316	IF ( .NOT. salsa_gases_from_chem ) THEN
8317	DO ig = 1, ngases_salsa
8318	salsa_gas(ig)%conc_p(:,nyn+1,:) = salsa_gas(ig)%conc_p(:,nyn,:)
8319	ENDDO
8320	ENDIF
8321
8322	ELSEIF ( bc_radiation_l ) THEN
8323	DO ib = 1, nbins_aerosol
8324	aerosol_number(ib)%conc_p(:,:,nxl-1) = aerosol_number(ib)%conc_p(:,:,nxl)
8325	DO ic = 1, ncomponents_mass
8326	icc = ( ic - 1 ) * nbins_aerosol + ib
8327	aerosol_mass(icc)%conc_p(:,:,nxl-1) = aerosol_mass(icc)%conc_p(:,:,nxl)
8328	ENDDO
8329	ENDDO
8330	IF ( .NOT. salsa_gases_from_chem ) THEN
8331	DO ig = 1, ngases_salsa
8332	salsa_gas(ig)%conc_p(:,:,nxl-1) = salsa_gas(ig)%conc_p(:,:,nxl)
8333	ENDDO
8334	ENDIF
8335
8336	ELSEIF ( bc_radiation_r ) THEN
8337	DO ib = 1, nbins_aerosol
8338	aerosol_number(ib)%conc_p(:,:,nxr+1) = aerosol_number(ib)%conc_p(:,:,nxr)
8339	DO ic = 1, ncomponents_mass
8340	icc = ( ic - 1 ) * nbins_aerosol + ib
8341	aerosol_mass(icc)%conc_p(:,:,nxr+1) = aerosol_mass(icc)%conc_p(:,:,nxr)
8342	ENDDO
8343	ENDDO
8344	IF ( .NOT. salsa_gases_from_chem ) THEN
8345	DO ig = 1, ngases_salsa
8346	salsa_gas(ig)%conc_p(:,:,nxr+1) = salsa_gas(ig)%conc_p(:,:,nxr)
8347	ENDDO
8348	ENDIF
8349
8350	ENDIF
8351
8352	ENDIF
8353
8354	END SUBROUTINE salsa_boundary_conds
8355
8356	!------------------------------------------------------------------------------!
8357	! Description:
8358	! ------------
8359	! Undoing of the previously done cyclic boundary conditions.
8360	!------------------------------------------------------------------------------!
8361	SUBROUTINE salsa_boundary_conds_decycle ( sq, sq_init )
8362
8363	USE control_parameters, &
8364	ONLY: nesting_offline
8365
8366	IMPLICIT NONE
8367
8368	INTEGER(iwp) :: boundary !<
8369	INTEGER(iwp) :: ee !<
8370	INTEGER(iwp) :: copied !<
8371	INTEGER(iwp) :: i !<
8372	INTEGER(iwp) :: j !<
8373	INTEGER(iwp) :: k !<
8374	INTEGER(iwp) :: ss !<
8375
8376	REAL(wp) :: flag !< flag to mask topography grid points
8377
8378	REAL(wp), DIMENSION(nzb:nzt+1) :: sq_init !< initial concentration profile
8379
8380	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: sq !< concentration array
8381
8382	flag = 0.0_wp
8383	!
8384	!-- Skip input if forcing from a larger-scale models is applied.
8385	IF ( nesting_offline .AND. nesting_offline_salsa ) RETURN
8386	!
8387	!-- Left and right boundaries
8388	IF ( decycle_salsa_lr .AND. ( bc_lr_cyc .OR. bc_lr == 'nested' ) ) THEN
8389
8390	DO boundary = 1, 2
8391
8392	IF ( decycle_method_salsa(boundary) == 'dirichlet' ) THEN
8393	!
8394	!-- Initial profile is copied to ghost and first three layers
8395	ss = 1
8396	ee = 0
8397	IF ( boundary == 1 .AND. nxl == 0 ) THEN
8398	ss = nxlg
8399	ee = nxl-1
8400	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
8401	ss = nxr+1
8402	ee = nxrg
8403	ENDIF
8404
8405	DO i = ss, ee
8406	DO j = nysg, nyng
8407	DO k = nzb+1, nzt
8408	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8409	sq(k,j,i) = sq_init(k) * flag
8410	ENDDO
8411	ENDDO
8412	ENDDO
8413
8414	ELSEIF ( decycle_method_salsa(boundary) == 'neumann' ) THEN
8415	!
8416	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
8417	!-- zero gradient
8418	ss = 1
8419	ee = 0
8420	IF ( boundary == 1 .AND. nxl == 0 ) THEN
8421	ss = nxlg
8422	ee = nxl-1
8423	copied = nxl
8424	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
8425	ss = nxr+1
8426	ee = nxrg
8427	copied = nxr
8428	ENDIF
8429
8430	DO i = ss, ee
8431	DO j = nysg, nyng
8432	DO k = nzb+1, nzt
8433	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8434	sq(k,j,i) = sq(k,j,copied) * flag
8435	ENDDO
8436	ENDDO
8437	ENDDO
8438
8439	ELSE
8440	WRITE(message_string,*) 'unknown decycling method: decycle_method_salsa (', boundary, &
8441	') ="' // TRIM( decycle_method_salsa(boundary) ) // '"'
8442	CALL message( 'salsa_boundary_conds_decycle', 'PA0626', 1, 2, 0, 6, 0 )
8443	ENDIF
8444	ENDDO
8445	ENDIF
8446
8447	!
8448	!-- South and north boundaries
8449	IF ( decycle_salsa_ns .AND. ( bc_ns_cyc .OR. bc_ns == 'nested' ) ) THEN
8450
8451	DO boundary = 3, 4
8452
8453	IF ( decycle_method_salsa(boundary) == 'dirichlet' ) THEN
8454	!
8455	!-- Initial profile is copied to ghost and first three layers
8456	ss = 1
8457	ee = 0
8458	IF ( boundary == 3 .AND. nys == 0 ) THEN
8459	ss = nysg
8460	ee = nys-1
8461	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
8462	ss = nyn+1
8463	ee = nyng
8464	ENDIF
8465
8466	DO i = nxlg, nxrg
8467	DO j = ss, ee
8468	DO k = nzb+1, nzt
8469	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8470	sq(k,j,i) = sq_init(k) * flag
8471	ENDDO
8472	ENDDO
8473	ENDDO
8474
8475	ELSEIF ( decycle_method_salsa(boundary) == 'neumann' ) THEN
8476	!
8477	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
8478	!-- zero gradient
8479	ss = 1
8480	ee = 0
8481	IF ( boundary == 3 .AND. nys == 0 ) THEN
8482	ss = nysg
8483	ee = nys-1
8484	copied = nys
8485	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
8486	ss = nyn+1
8487	ee = nyng
8488	copied = nyn
8489	ENDIF
8490
8491	DO i = nxlg, nxrg
8492	DO j = ss, ee
8493	DO k = nzb+1, nzt
8494	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8495	sq(k,j,i) = sq(k,copied,i) * flag
8496	ENDDO
8497	ENDDO
8498	ENDDO
8499
8500	ELSE
8501	WRITE(message_string,*) 'unknown decycling method: decycle_method_salsa (', boundary, &
8502	') ="' // TRIM( decycle_method_salsa(boundary) ) // '"'
8503	CALL message( 'salsa_boundary_conds_decycle', 'PA0627', 1, 2, 0, 6, 0 )
8504	ENDIF
8505	ENDDO
8506	ENDIF
8507
8508	END SUBROUTINE salsa_boundary_conds_decycle
8509
8510	!------------------------------------------------------------------------------!
8511	! Description:
8512	! ------------
8513	!> Calculates the total dry or wet mass concentration for individual bins
8514	!> Juha Tonttila (FMI) 2015
8515	!> Tomi Raatikainen (FMI) 2016
8516	!------------------------------------------------------------------------------!
8517	SUBROUTINE bin_mixrat( itype, ibin, i, j, mconc )
8518
8519	IMPLICIT NONE
8520
8521	CHARACTER(len=*), INTENT(in) :: itype !< 'dry' or 'wet'
8522
8523	INTEGER(iwp) :: ic !< loop index for mass bin number
8524	INTEGER(iwp) :: iend !< end index: include water or not
8525
8526	INTEGER(iwp), INTENT(in) :: ibin !< index of the chemical component
8527	INTEGER(iwp), INTENT(in) :: i !< loop index for x-direction
8528	INTEGER(iwp), INTENT(in) :: j !< loop index for y-direction
8529
8530	REAL(wp), DIMENSION(:), INTENT(out) :: mconc !< total dry or wet mass concentration
8531
8532	!-- Number of components
8533	IF ( itype == 'dry' ) THEN
8534	iend = prtcl%ncomp - 1
8535	ELSE IF ( itype == 'wet' ) THEN
8536	iend = prtcl%ncomp
8537	ELSE
8538	message_string = 'Error in itype!'
8539	CALL message( 'bin_mixrat', 'PA0628', 2, 2, 0, 6, 0 )
8540	ENDIF
8541
8542	mconc = 0.0_wp
8543
8544	DO ic = ibin, iend*nbins_aerosol+ibin, nbins_aerosol !< every nbins'th element
8545	mconc = mconc + aerosol_mass(ic)%conc(:,j,i)
8546	ENDDO
8547
8548	END SUBROUTINE bin_mixrat
8549
8550	!------------------------------------------------------------------------------!
8551	! Description:
8552	! ------------
8553	!> Sets surface fluxes
8554	!------------------------------------------------------------------------------!
8555	SUBROUTINE salsa_emission_update
8556
8557	USE palm_date_time_mod, &
8558	ONLY: get_date_time
8559
8560	IMPLICIT NONE
8561
8562	IF ( include_emission ) THEN
8563
8564	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8565	!
8566	!-- Get time_utc_init from origin_date_time
8567	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
8568
8569	IF ( next_aero_emission_update <= &
8570	MAX( time_since_reference_point, 0.0_wp ) + time_utc_init ) THEN
8571	CALL salsa_emission_setup( .FALSE. )
8572	ENDIF
8573
8574	IF ( next_gas_emission_update <= &
8575	MAX( time_since_reference_point, 0.0_wp ) + time_utc_init ) THEN
8576	IF ( salsa_emission_mode == 'read_from_file' .AND. .NOT. salsa_gases_from_chem ) &
8577	THEN
8578	CALL salsa_gas_emission_setup( .FALSE. )
8579	ENDIF
8580	ENDIF
8581
8582	ENDIF
8583	ENDIF
8584
8585	END SUBROUTINE salsa_emission_update
8586
8587	!------------------------------------------------------------------------------!
8588	!> Description:
8589	!> ------------
8590	!> Define aerosol fluxes: constant or read from a from file
8591	!> @todo - Emission stack height is not used yet. For default mode, emissions
8592	!> are assumed to occur on upward facing horizontal surfaces.
8593	!------------------------------------------------------------------------------!
8594	SUBROUTINE salsa_emission_setup( init )
8595
8596	USE netcdf_data_input_mod, &
8597	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
8598	inquire_num_variables, inquire_variable_names, &
8599	get_dimension_length, open_read_file, street_type_f
8600
8601	USE palm_date_time_mod, &
8602	ONLY: days_per_week, get_date_time, hours_per_day, months_per_year, seconds_per_hour
8603
8604	USE surface_mod, &
8605	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
8606
8607	IMPLICIT NONE
8608
8609	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
8610	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
8611	CHARACTER(LEN=25) :: mod_name !< name in the input file
8612
8613	INTEGER(iwp) :: day_of_month !< day of the month
8614	INTEGER(iwp) :: day_of_week !< day of the week
8615	INTEGER(iwp) :: day_of_year !< day of the year
8616	INTEGER(iwp) :: hour_of_day !< hour of the day
8617	INTEGER(iwp) :: i !< loop index
8618	INTEGER(iwp) :: ib !< loop index: aerosol number bins
8619	INTEGER(iwp) :: ic !< loop index: aerosol chemical components
8620	INTEGER(iwp) :: id_salsa !< NetCDF id of aerosol emission input file
8621	INTEGER(iwp) :: in !< loop index: emission category
8622	INTEGER(iwp) :: index_dd !< index day
8623	INTEGER(iwp) :: index_hh !< index hour
8624	INTEGER(iwp) :: index_mm !< index month
8625	INTEGER(iwp) :: inn !< loop index
8626	INTEGER(iwp) :: j !< loop index
8627	INTEGER(iwp) :: month_of_year !< month of the year
8628	INTEGER(iwp) :: ss !< loop index
8629
8630	INTEGER(iwp), DIMENSION(maxspec) :: cc_i2m !<
8631
8632	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
8633
8634	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
8635
8636	REAL(wp) :: second_of_day !< second of the day
8637
8638	REAL(wp), DIMENSION(24) :: par_emis_time_factor = & !< time factors for the parameterized mode
8639	(/ 0.009, 0.004, 0.004, 0.009, 0.029, 0.039, &
8640	0.056, 0.053, 0.051, 0.051, 0.052, 0.055, &
8641	0.059, 0.061, 0.064, 0.067, 0.069, 0.069, &
8642	0.049, 0.039, 0.039, 0.029, 0.024, 0.019 /)
8643
8644	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect_emission !< sectional number emission
8645
8646	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: source_array !< temporary source array
8647
8648	!
8649	!-- Define emissions:
8650	SELECT CASE ( salsa_emission_mode )
8651
8652	CASE ( 'uniform', 'parameterized' )
8653
8654	IF ( init ) THEN ! Do only once
8655	!
8656	!- Form a sectional size distribution for the emissions
8657	ALLOCATE( nsect_emission(1:nbins_aerosol), &
8658	source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8659	!
8660	!-- Precalculate a size distribution for the emission based on the mean diameter, standard
8661	!-- deviation and number concentration per each log-normal mode
8662	CALL size_distribution( surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
8663	nsect_emission )
8664	IF ( salsa_emission_mode == 'uniform' ) THEN
8665	DO ib = 1, nbins_aerosol
8666	source_array(:,:,ib) = nsect_emission(ib)
8667	ENDDO
8668	ELSE
8669	!
8670	!-- Get a time factor for the specific hour
8671	IF ( .NOT. ALLOCATED( aero_emission_att%time_factor ) ) &
8672	ALLOCATE( aero_emission_att%time_factor(1) )
8673	CALL get_date_time( MAX( time_since_reference_point, 0.0_wp ), hour=hour_of_day )
8674	index_hh = hour_of_day
8675	aero_emission_att%time_factor(1) = par_emis_time_factor(index_hh+1)
8676
8677	IF ( street_type_f%from_file ) THEN
8678	DO i = nxl, nxr
8679	DO j = nys, nyn
8680	IF ( street_type_f%var(j,i) >= main_street_id .AND. &
8681	street_type_f%var(j,i) < max_street_id ) THEN
8682	source_array(j,i,:) = nsect_emission(:) * emiss_factor_main * &
8683	aero_emission_att%time_factor(1)
8684	ELSEIF ( street_type_f%var(j,i) >= side_street_id .AND. &
8685	street_type_f%var(j,i) < main_street_id ) THEN
8686	source_array(j,i,:) = nsect_emission(:) * emiss_factor_side * &
8687	aero_emission_att%time_factor(1)
8688	ENDIF
8689	ENDDO
8690	ENDDO
8691	ELSE
8692	WRITE( message_string, * ) 'salsa_emission_mode = "parameterized" but the '// &
8693	'street_type data is missing.'
8694	CALL message( 'salsa_emission_setup', 'PA0661', 1, 2, 0, 6, 0 )
8695	ENDIF
8696	ENDIF
8697	!
8698	!-- Check which chemical components are used
8699	cc_i2m = 0
8700	IF ( index_so4 > 0 ) cc_i2m(1) = index_so4
8701	IF ( index_oc > 0 ) cc_i2m(2) = index_oc
8702	IF ( index_bc > 0 ) cc_i2m(3) = index_bc
8703	IF ( index_du > 0 ) cc_i2m(4) = index_du
8704	IF ( index_ss > 0 ) cc_i2m(5) = index_ss
8705	IF ( index_no > 0 ) cc_i2m(6) = index_no
8706	IF ( index_nh > 0 ) cc_i2m(7) = index_nh
8707	!
8708	!-- Normalise mass fractions so that their sum is 1
8709	aerosol_flux_mass_fracs_a = aerosol_flux_mass_fracs_a / &
8710	SUM( aerosol_flux_mass_fracs_a(1:ncc ) )
8711	IF ( salsa_emission_mode == 'uniform' ) THEN
8712	!
8713	!-- Set uniform fluxes of default horizontal surfaces
8714	CALL set_flux( surf_def_h(0), cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8715	ELSE
8716	!
8717	!-- Set fluxes normalised based on the street type on land surfaces
8718	CALL set_flux( surf_lsm_h, cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8719	ENDIF
8720
8721	DEALLOCATE( nsect_emission, source_array )
8722	ENDIF
8723
8724	CASE ( 'read_from_file' )
8725	!
8726	!-- Reset surface fluxes
8727	surf_def_h(0)%answs = 0.0_wp
8728	surf_def_h(0)%amsws = 0.0_wp
8729	surf_lsm_h%answs = 0.0_wp
8730	surf_lsm_h%amsws = 0.0_wp
8731	surf_usm_h%answs = 0.0_wp
8732	surf_usm_h%amsws = 0.0_wp
8733
8734	!
8735	!-- Reset source arrays:
8736	DO ib = 1, nbins_aerosol
8737	aerosol_number(ib)%source = 0.0_wp
8738	ENDDO
8739
8740	DO ic = 1, ncomponents_mass * nbins_aerosol
8741	aerosol_mass(ic)%source = 0.0_wp
8742	ENDDO
8743
8744	#if defined( __netcdf )
8745	!
8746	!-- Check existence of PIDS_SALSA file
8747	INQUIRE( FILE = TRIM( input_file_salsa ) // TRIM( coupling_char ), EXIST = netcdf_extend )
8748	IF ( .NOT. netcdf_extend ) THEN
8749	message_string = 'Input file '// TRIM( input_file_salsa ) // TRIM( coupling_char )&
8750	// ' missing!'
8751	CALL message( 'salsa_emission_setup', 'PA0629', 1, 2, 0, 6, 0 )
8752	ENDIF
8753	!
8754	!-- Open file in read-only mode
8755	CALL open_read_file( TRIM( input_file_salsa ) // TRIM( coupling_char ), id_salsa )
8756
8757	IF ( init ) THEN
8758	!
8759	!-- Variable names
8760	CALL inquire_num_variables( id_salsa, aero_emission_att%num_vars )
8761	ALLOCATE( aero_emission_att%var_names(1:aero_emission_att%num_vars) )
8762	CALL inquire_variable_names( id_salsa, aero_emission_att%var_names )
8763	!
8764	!-- Read the index and name of chemical components
8765	CALL get_dimension_length( id_salsa, aero_emission_att%ncc, 'composition_index' )
8766	ALLOCATE( aero_emission_att%cc_index(1:aero_emission_att%ncc) )
8767	CALL get_variable( id_salsa, 'composition_index', aero_emission_att%cc_index )
8768
8769	IF ( check_existence( aero_emission_att%var_names, 'composition_name' ) ) THEN
8770	CALL get_variable( id_salsa, 'composition_name', aero_emission_att%cc_name, &
8771	aero_emission_att%ncc )
8772	ELSE
8773	message_string = 'Missing composition_name in ' // TRIM( input_file_salsa )
8774	CALL message( 'salsa_emission_setup', 'PA0657', 1, 2, 0, 6, 0 )
8775	ENDIF
8776	!
8777	!-- Find the corresponding chemical components in the model
8778	aero_emission_att%cc_in2mod = 0
8779	DO ic = 1, aero_emission_att%ncc
8780	in_name = aero_emission_att%cc_name(ic)
8781	SELECT CASE ( TRIM( in_name ) )
8782	CASE ( 'H2SO4', 'h2so4', 'SO4', 'so4' )
8783	aero_emission_att%cc_in2mod(1) = ic
8784	CASE ( 'OC', 'oc', 'organics' )
8785	aero_emission_att%cc_in2mod(2) = ic
8786	CASE ( 'BC', 'bc' )
8787	aero_emission_att%cc_in2mod(3) = ic
8788	CASE ( 'DU', 'du' )
8789	aero_emission_att%cc_in2mod(4) = ic
8790	CASE ( 'SS', 'ss' )
8791	aero_emission_att%cc_in2mod(5) = ic
8792	CASE ( 'HNO3', 'hno3', 'NO', 'no', 'NO3', 'no3' )
8793	aero_emission_att%cc_in2mod(6) = ic
8794	CASE ( 'NH3', 'nh3', 'NH', 'nh', 'NH4', 'nh4' )
8795	aero_emission_att%cc_in2mod(7) = ic
8796	END SELECT
8797
8798	ENDDO
8799
8800	IF ( SUM( aero_emission_att%cc_in2mod ) == 0 ) THEN
8801	message_string = 'None of the aerosol chemical components in ' // TRIM( &
8802	input_file_salsa ) // ' correspond to the ones applied in SALSA.'
8803	CALL message( 'salsa_emission_setup', 'PA0630', 1, 2, 0, 6, 0 )
8804	ENDIF
8805	!
8806	!-- Get number of emission categories
8807	CALL get_dimension_length( id_salsa, aero_emission_att%ncat, 'ncat' )
8808	!
8809	!-- Get the chemical composition (i.e. mass fraction of different species) in aerosols
8810	IF ( check_existence( aero_emission_att%var_names, 'emission_mass_fracs' ) ) THEN
8811	ALLOCATE( aero_emission%mass_fracs(1:aero_emission_att%ncat, &
8812	1:aero_emission_att%ncc) )
8813	CALL get_variable( id_salsa, 'emission_mass_fracs', aero_emission%mass_fracs, &
8814	0, aero_emission_att%ncc-1, 0, aero_emission_att%ncat-1 )
8815	ELSE
8816	message_string = 'Missing emission_mass_fracs in ' // TRIM( input_file_salsa )
8817	CALL message( 'salsa_emission_setup', 'PA0659', 1, 2, 0, 6, 0 )
8818	ENDIF
8819	!
8820	!-- If the chemical component is not activated, set its mass fraction to 0 to avoid
8821	!-- inbalance between number and mass flux
8822	cc_i2m = aero_emission_att%cc_in2mod
8823	IF ( index_so4 < 0 .AND. cc_i2m(1) > 0 ) &
8824	aero_emission%mass_fracs(:,cc_i2m(1)) = 0.0_wp
8825	IF ( index_oc < 0 .AND. cc_i2m(2) > 0 ) &
8826	aero_emission%mass_fracs(:,cc_i2m(2)) = 0.0_wp
8827	IF ( index_bc < 0 .AND. cc_i2m(3) > 0 ) &
8828	aero_emission%mass_fracs(:,cc_i2m(3)) = 0.0_wp
8829	IF ( index_du < 0 .AND. cc_i2m(4) > 0 ) &
8830	aero_emission%mass_fracs(:,cc_i2m(4)) = 0.0_wp
8831	IF ( index_ss < 0 .AND. cc_i2m(5) > 0 ) &
8832	aero_emission%mass_fracs(:,cc_i2m(5)) = 0.0_wp
8833	IF ( index_no < 0 .AND. cc_i2m(6) > 0 ) &
8834	aero_emission%mass_fracs(:,cc_i2m(6)) = 0.0_wp
8835	IF ( index_nh < 0 .AND. cc_i2m(7) > 0 ) &
8836	aero_emission%mass_fracs(:,cc_i2m(7)) = 0.0_wp
8837	!
8838	!-- Then normalise the mass fraction so that SUM = 1
8839	DO in = 1, aero_emission_att%ncat
8840	aero_emission%mass_fracs(in,:) = aero_emission%mass_fracs(in,:) / &
8841	SUM( aero_emission%mass_fracs(in,:) )
8842	ENDDO
8843	!
8844	!-- Inquire the fill value
8845	CALL get_attribute( id_salsa, '_FillValue', aero_emission%fill, .FALSE., &
8846	'aerosol_emission_values' )
8847	!
8848	!-- Inquire units of emissions
8849	CALL get_attribute( id_salsa, 'units', aero_emission_att%units, .FALSE., &
8850	'aerosol_emission_values' )
8851	!
8852	!-- Inquire the level of detail (lod)
8853	CALL get_attribute( id_salsa, 'lod', aero_emission_att%lod, .FALSE., &
8854	'aerosol_emission_values' )
8855
8856	!
8857	!-- Read different emission information depending on the level of detail of emissions:
8858
8859	!
8860	!-- Default mode:
8861	IF ( aero_emission_att%lod == 1 ) THEN
8862	!
8863	!-- Unit conversion factor: convert to SI units (kg/m2/s)
8864	IF ( aero_emission_att%units == 'kg/m2/yr' ) THEN
8865	aero_emission_att%conversion_factor = 1.0_wp / 3600.0_wp
8866	ELSEIF ( aero_emission_att%units == 'g/m2/yr' ) THEN
8867	aero_emission_att%conversion_factor = 0.001_wp / 3600.0_wp
8868	ELSE
8869	message_string = 'unknown unit for aerosol emissions: ' // &
8870	TRIM( aero_emission_att%units ) // ' (lod1)'
8871	CALL message( 'salsa_emission_setup','PA0631', 1, 2, 0, 6, 0 )
8872	ENDIF
8873	!
8874	!-- Allocate emission arrays
8875	ALLOCATE( aero_emission_att%cat_index(1:aero_emission_att%ncat), &
8876	aero_emission_att%rho(1:aero_emission_att%ncat), &
8877	aero_emission_att%time_factor(1:aero_emission_att%ncat) )
8878	!
8879	!-- Get emission category names and indices
8880	IF ( check_existence( aero_emission_att%var_names, 'emission_category_name' ) ) THEN
8881	CALL get_variable( id_salsa, 'emission_category_name', &
8882	aero_emission_att%cat_name, aero_emission_att%ncat )
8883	ELSE
8884	message_string = 'Missing emission_category_name in ' // TRIM( input_file_salsa )
8885	CALL message( 'salsa_emission_setup', 'PA0658', 1, 2, 0, 6, 0 )
8886	ENDIF
8887	CALL get_variable( id_salsa, 'emission_category_index', aero_emission_att%cat_index )
8888	!
8889	!-- Find corresponding emission categories
8890	DO in = 1, aero_emission_att%ncat
8891	in_name = aero_emission_att%cat_name(in)
8892	DO ss = 1, def_modes%ndc
8893	mod_name = def_modes%cat_name_table(ss)
8894	IF ( TRIM( in_name(1:4) ) == TRIM( mod_name(1:4 ) ) ) THEN
8895	def_modes%cat_input_to_model(ss) = in
8896	ENDIF
8897	ENDDO
8898	ENDDO
8899
8900	IF ( SUM( def_modes%cat_input_to_model ) == 0 ) THEN
8901	message_string = 'None of the emission categories in ' // TRIM( &
8902	input_file_salsa ) // ' match with the ones in the model.'
8903	CALL message( 'salsa_emission_setup', 'PA0632', 1, 2, 0, 6, 0 )
8904	ENDIF
8905	!
8906	!-- Emission time factors: Find check whether emission time factors are given for each
8907	!-- hour of year OR based on month, day and hour
8908	!
8909	!-- For each hour of year:
8910	IF ( check_existence( aero_emission_att%var_names, 'nhoursyear' ) ) THEN
8911	CALL get_dimension_length( id_salsa, aero_emission_att%nhoursyear, 'nhoursyear' )
8912	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8913	1:aero_emission_att%nhoursyear) )
8914	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8915	0, aero_emission_att%nhoursyear-1, 0, aero_emission_att%ncat-1 )
8916	!
8917	!-- Based on the month, day and hour:
8918	ELSEIF ( check_existence( aero_emission_att%var_names, 'nmonthdayhour' ) ) THEN
8919	CALL get_dimension_length( id_salsa, aero_emission_att%nmonthdayhour, &
8920	'nmonthdayhour' )
8921	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8922	1:aero_emission_att%nmonthdayhour) )
8923	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8924	0, aero_emission_att%nmonthdayhour-1, 0, aero_emission_att%ncat-1 )
8925	ELSE
8926	message_string = 'emission_time_factors should be given for each nhoursyear ' //&
8927	'OR nmonthdayhour'
8928	CALL message( 'salsa_emission_setup','PA0633', 1, 2, 0, 6, 0 )
8929	ENDIF
8930	!
8931	!-- Next emission update
8932	CALL get_date_time( time_since_reference_point, second_of_day=second_of_day )
8933	next_aero_emission_update = MOD( second_of_day, seconds_per_hour ) !- seconds_per_hour
8934	!
8935	!-- Calculate average mass density (kg/m3)
8936	aero_emission_att%rho = 0.0_wp
8937
8938	IF ( cc_i2m(1) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoh2so4 *&
8939	aero_emission%mass_fracs(:,cc_i2m(1))
8940	IF ( cc_i2m(2) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhooc * &
8941	aero_emission%mass_fracs(:,cc_i2m(2))
8942	IF ( cc_i2m(3) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhobc * &
8943	aero_emission%mass_fracs(:,cc_i2m(3))
8944	IF ( cc_i2m(4) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhodu * &
8945	aero_emission%mass_fracs(:,cc_i2m(4))
8946	IF ( cc_i2m(5) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoss * &
8947	aero_emission%mass_fracs(:,cc_i2m(5))
8948	IF ( cc_i2m(6) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhohno3 * &
8949	aero_emission%mass_fracs(:,cc_i2m(6))
8950	IF ( cc_i2m(7) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhonh3 * &
8951	aero_emission%mass_fracs(:,cc_i2m(7))
8952	!
8953	!-- Allocate and read surface emission data (in total PM, get_variable_3d_real)
8954	ALLOCATE( aero_emission%def_data(nys:nyn,nxl:nxr,1:aero_emission_att%ncat) )
8955	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%def_data, &
8956	0, aero_emission_att%ncat-1, nxl, nxr, nys, nyn )
8957
8958	!
8959	!-- Pre-processed mode
8960	ELSEIF ( aero_emission_att%lod == 2 ) THEN
8961	!
8962	!-- Unit conversion factor: convert to SI units (#/m2/s)
8963	IF ( aero_emission_att%units == '#/m2/s' ) THEN
8964	aero_emission_att%conversion_factor = 1.0_wp
8965	ELSE
8966	message_string = 'unknown unit for aerosol emissions: ' // &
8967	TRIM( aero_emission_att%units )
8968	CALL message( 'salsa_emission_setup','PA0634', 1, 2, 0, 6, 0 )
8969	ENDIF
8970	!
8971	!-- Number of aerosol size bins in the emission data
8972	CALL get_dimension_length( id_salsa, aero_emission_att%nbins, 'Dmid' )
8973	IF ( aero_emission_att%nbins /= nbins_aerosol ) THEN
8974	message_string = 'The number of size bins in aerosol input data does not ' // &
8975	'correspond to the model set-up'
8976	CALL message( 'salsa_emission_setup','PA0635', 1, 2, 0, 6, 0 )
8977	ENDIF
8978	!
8979	!-- Number of time steps in the emission data
8980	CALL get_dimension_length( id_salsa, aero_emission_att%nt, 'time')
8981	!
8982	!-- Allocate bin diameters, time and mass fraction array
8983	ALLOCATE( aero_emission_att%dmid(1:nbins_aerosol), &
8984	aero_emission_att%time(1:aero_emission_att%nt), &
8985	aero_emission%num_fracs(1:aero_emission_att%ncat,1:nbins_aerosol) )
8986	!
8987	!-- Read mean diameters
8988	CALL get_variable( id_salsa, 'Dmid', aero_emission_att%dmid )
8989	!
8990	!-- Check whether the sectional representation of the aerosol size distribution conform
8991	!-- to the one applied in the model
8992	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - aero_emission_att%dmid ) / &
8993	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
8994	message_string = 'Mean diameters of size bins in ' // TRIM( input_file_salsa ) &
8995	// ' do not match with the ones in the model.'
8996	CALL message( 'salsa_emission_setup','PA0636', 1, 2, 0, 6, 0 )
8997	ENDIF
8998	!
8999	!-- Read time stamps:
9000	IF ( check_existence( aero_emission_att%var_names, 'time' ) ) THEN
9001	CALL get_variable( id_salsa, 'time', aero_emission_att%time )
9002	ELSE
9003	message_string = 'Missing time in ' // TRIM( input_file_salsa )
9004	CALL message( 'salsa_emission_setup', 'PA0660', 1, 2, 0, 6, 0 )
9005	ENDIF
9006	!
9007	!-- Read emission number fractions per category
9008	IF ( check_existence( aero_emission_att%var_names, 'emission_number_fracs' ) ) THEN
9009	CALL get_variable( id_salsa, 'emission_number_fracs', aero_emission%num_fracs, &
9010	0, nbins_aerosol-1, 0, aero_emission_att%ncat-1 )
9011	ELSE
9012	message_string = 'Missing emission_number_fracs in ' // TRIM( input_file_salsa )
9013	CALL message( 'salsa_emission_setup', 'PA0659', 1, 2, 0, 6, 0 )
9014	ENDIF
9015
9016	ELSE
9017	message_string = 'Unknown lod for aerosol_emission_values.'
9018	CALL message( 'salsa_emission','PA0637', 1, 2, 0, 6, 0 )
9019
9020	ENDIF ! lod
9021
9022	ENDIF ! init
9023	!
9024	!-- Define and set current emission values:
9025	!
9026	!-- Default type emissions (aerosol emission given as total mass emission per year):
9027	IF ( aero_emission_att%lod == 1 ) THEN
9028	!
9029	!-- Emission time factors for each emission category at current time step
9030	IF ( aero_emission_att%nhoursyear > aero_emission_att%nmonthdayhour ) THEN
9031	!
9032	!-- Get the index of the current hour
9033	CALL get_date_time( MAX( 0.0_wp, time_since_reference_point ), &
9034	day_of_year=day_of_year, hour=hour_of_day )
9035	index_hh = ( day_of_year - 1_iwp ) * hours_per_day + hour_of_day
9036	aero_emission_att%time_factor = aero_emission_att%etf(:,index_hh+1)
9037
9038	ELSEIF ( aero_emission_att%nhoursyear < aero_emission_att%nmonthdayhour ) THEN
9039	!
9040	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
9041	!-- Needs to be calculated.)
9042	CALL get_date_time( MAX( 0.0_wp, time_since_reference_point ), month=month_of_year,&
9043	day=day_of_month, hour=hour_of_day, day_of_week=day_of_week )
9044	index_mm = month_of_year
9045	index_dd = months_per_year + day_of_week
9046	SELECT CASE(TRIM(daytype))
9047
9048	CASE ("workday")
9049	index_hh = months_per_year + days_per_week + hour_of_day
9050
9051	CASE ("weekend")
9052	index_hh = months_per_year + days_per_week + hours_per_day + hour_of_day
9053
9054	CASE ("holiday")
9055	index_hh = months_per_year + days_per_week + 2*hours_per_day + hour_of_day
9056
9057	END SELECT
9058	aero_emission_att%time_factor = aero_emission_att%etf(:,index_mm) * &
9059	aero_emission_att%etf(:,index_dd) * &
9060	aero_emission_att%etf(:,index_hh+1)
9061	ENDIF
9062
9063	!
9064	!-- Create a sectional number size distribution for emissions
9065	ALLOCATE( nsect_emission(1:nbins_aerosol),source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
9066	DO in = 1, aero_emission_att%ncat
9067
9068	inn = def_modes%cat_input_to_model(in)
9069	!
9070	!-- Calculate the number concentration (1/m3) of a log-normal size distribution
9071	!-- following Jacobson (2005): Eq 13.25.
9072	def_modes%ntot_table = 6.0_wp * def_modes%pm_frac_table(:,inn) / ( pi * &
9073	( def_modes%dpg_table )*3 EXP( 4.5_wp * &
9074	LOG( def_modes%sigmag_table )**2 ) )
9075	!
9076	!-- Sectional size distibution (1/m3) from a log-normal one
9077	CALL size_distribution( def_modes%ntot_table, def_modes%dpg_table, &
9078	def_modes%sigmag_table, nsect_emission )
9079
9080	source_array = 0.0_wp
9081	DO ib = 1, nbins_aerosol
9082	source_array(:,:,ib) = aero_emission%def_data(:,:,in) * &
9083	aero_emission_att%conversion_factor / &
9084	aero_emission_att%rho(in) * nsect_emission(ib) * &
9085	aero_emission_att%time_factor(in)
9086	ENDDO
9087	!
9088	!-- Set surface fluxes of aerosol number and mass on horizontal surfaces. Set fluxes
9089	!-- only for either default, land or urban surface.
9090	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9091	CALL set_flux( surf_def_h(0), aero_emission_att%cc_in2mod, &
9092	aero_emission%mass_fracs(in,:), source_array )
9093	ELSE
9094	CALL set_flux( surf_usm_h, aero_emission_att%cc_in2mod, &
9095	aero_emission%mass_fracs(in,:), source_array )
9096	CALL set_flux( surf_lsm_h, aero_emission_att%cc_in2mod, &
9097	aero_emission%mass_fracs(in,:), source_array )
9098	ENDIF
9099	ENDDO
9100	!
9101	!-- The next emission update is again after one hour
9102	next_aero_emission_update = next_aero_emission_update + 3600.0_wp
9103
9104
9105	DEALLOCATE( nsect_emission, source_array )
9106	!
9107	!-- Pre-processed:
9108	ELSEIF ( aero_emission_att%lod == 2 ) THEN
9109	!
9110	!-- Get time_utc_init from origin_date_time
9111	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
9112	!
9113	!-- Obtain time index for current point in time. Note, the time coordinate in the input
9114	!-- file is relative to time_utc_init.
9115	aero_emission_att%tind = MINLOC( ABS( aero_emission_att%time - ( &
9116	time_utc_init + MAX( time_since_reference_point,&
9117	0.0_wp) ) ), DIM = 1 ) - 1
9118	!
9119	!-- Allocate the data input array always before reading in the data and deallocate after
9120	ALLOCATE( aero_emission%preproc_data(nys:nyn,nxl:nxr,1:aero_emission_att%ncat), &
9121	source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
9122	!
9123	!-- Read in the next time step (get_variable_4d_to_3d_real)
9124	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%preproc_data, &
9125	aero_emission_att%tind, 0, aero_emission_att%ncat-1, &
9126	nxl, nxr, nys, nyn )
9127	!
9128	!-- Calculate the sources per category and set surface fluxes
9129	source_array = 0.0_wp
9130	DO in = 1, aero_emission_att%ncat
9131	DO ib = 1, nbins_aerosol
9132	source_array(:,:,ib) = aero_emission%preproc_data(:,:,in) * &
9133	aero_emission%num_fracs(in,ib)
9134	ENDDO
9135	!
9136	!-- Set fluxes only for either default, land and urban surface.
9137	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9138	CALL set_flux( surf_def_h(0), aero_emission_att%cc_in2mod, &
9139	aero_emission%mass_fracs(in,:), source_array )
9140	ELSE
9141	CALL set_flux( surf_usm_h, aero_emission_att%cc_in2mod, &
9142	aero_emission%mass_fracs(in,:), source_array )
9143	CALL set_flux( surf_lsm_h, aero_emission_att%cc_in2mod, &
9144	aero_emission%mass_fracs(in,:), source_array )
9145	ENDIF
9146	ENDDO
9147	!
9148	!-- Determine the next emission update
9149	next_aero_emission_update = aero_emission_att%time(aero_emission_att%tind+2)
9150
9151	DEALLOCATE( aero_emission%preproc_data, source_array )
9152
9153	ENDIF
9154	!
9155	!-- Close input file
9156	CALL close_input_file( id_salsa )
9157	#else
9158	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' //&
9159	' __netcdf is not used in compiling!'
9160	CALL message( 'salsa_emission_setup', 'PA0638', 1, 2, 0, 6, 0 )
9161
9162	#endif
9163	CASE DEFAULT
9164	message_string = 'unknown salsa_emission_mode: ' // TRIM( salsa_emission_mode )
9165	CALL message( 'salsa_emission_setup', 'PA0639', 1, 2, 0, 6, 0 )
9166
9167	END SELECT
9168
9169	CONTAINS
9170
9171	!------------------------------------------------------------------------------!
9172	! Description:
9173	! ------------
9174	!> Sets the aerosol flux to aerosol arrays in 2a and 2b.
9175	!------------------------------------------------------------------------------!
9176	SUBROUTINE set_flux( surface, cc_i_mod, mass_fracs, source_array )
9177
9178	USE arrays_3d, &
9179	ONLY: rho_air_zw
9180
9181	USE surface_mod, &
9182	ONLY: surf_type
9183
9184	IMPLICIT NONE
9185
9186	INTEGER(iwp) :: i !< loop index
9187	INTEGER(iwp) :: ib !< loop index
9188	INTEGER(iwp) :: ic !< loop index
9189	INTEGER(iwp) :: j !< loop index
9190	INTEGER(iwp) :: k !< loop index
9191	INTEGER(iwp) :: m !< running index for surface elements
9192
9193	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of chemical component in the input data
9194
9195	REAL(wp) :: so4_oc !< mass fraction between SO4 and OC in 1a
9196
9197	REAL(wp), DIMENSION(:), INTENT(in) :: mass_fracs !< mass fractions of chemical components
9198
9199	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,1:nbins_aerosol), INTENT(inout) :: source_array !<
9200
9201	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9202
9203	so4_oc = 0.0_wp
9204
9205	DO m = 1, surface%ns
9206	!
9207	!-- Get indices of respective grid point
9208	i = surface%i(m)
9209	j = surface%j(m)
9210	k = surface%k(m)
9211
9212	DO ib = 1, nbins_aerosol
9213	IF ( source_array(j,i,ib) < nclim ) THEN
9214	source_array(j,i,ib) = 0.0_wp
9215	ENDIF
9216	!
9217	!-- Set mass fluxes. First bins include only SO4 and/or OC.
9218	IF ( ib <= end_subrange_1a ) THEN
9219	!
9220	!-- Both sulphate and organic carbon
9221	IF ( index_so4 > 0 .AND. index_oc > 0 ) THEN
9222
9223	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
9224	so4_oc = mass_fracs(cc_i_mod(1)) / ( mass_fracs(cc_i_mod(1)) + &
9225	mass_fracs(cc_i_mod(2)) )
9226	surface%amsws(m,ic) = surface%amsws(m,ic) + so4_oc * source_array(j,i,ib) &
9227	* api6 * aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
9228	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9229
9230	ic = ( index_oc - 1 ) * nbins_aerosol + ib
9231	surface%amsws(m,ic) = surface%amsws(m,ic) + ( 1-so4_oc ) * source_array(j,i,ib) &
9232	* api6 * aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
9233	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9234	!
9235	!-- Only sulphates
9236	ELSEIF ( index_so4 > 0 .AND. index_oc < 0 ) THEN
9237	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
9238	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
9239	aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
9240	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9241	!
9242	!-- Only organic carbon
9243	ELSEIF ( index_so4 < 0 .AND. index_oc > 0 ) THEN
9244	ic = ( index_oc - 1 ) * nbins_aerosol + ib
9245	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
9246	aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
9247	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9248	ENDIF
9249
9250	ELSE
9251	!
9252	!-- Sulphate
9253	IF ( index_so4 > 0 ) THEN
9254	ic = cc_i_mod(1)
9255	CALL set_mass_flux( surface, m, ib, index_so4, mass_fracs(ic), arhoh2so4, &
9256	source_array(j,i,ib) )
9257	ENDIF
9258	!
9259	!-- Organic carbon
9260	IF ( index_oc > 0 ) THEN
9261	ic = cc_i_mod(2)
9262	CALL set_mass_flux( surface, m, ib, index_oc, mass_fracs(ic),arhooc, &
9263	source_array(j,i,ib) )
9264	ENDIF
9265	!
9266	!-- Black carbon
9267	IF ( index_bc > 0 ) THEN
9268	ic = cc_i_mod(3)
9269	CALL set_mass_flux( surface, m, ib, index_bc, mass_fracs(ic), arhobc, &
9270	source_array(j,i,ib) )
9271	ENDIF
9272	!
9273	!-- Dust
9274	IF ( index_du > 0 ) THEN
9275	ic = cc_i_mod(4)
9276	CALL set_mass_flux( surface, m, ib, index_du, mass_fracs(ic), arhodu, &
9277	source_array(j,i,ib) )
9278	ENDIF
9279	!
9280	!-- Sea salt
9281	IF ( index_ss > 0 ) THEN
9282	ic = cc_i_mod(5)
9283	CALL set_mass_flux( surface, m, ib, index_ss, mass_fracs(ic), arhoss, &
9284	source_array(j,i,ib) )
9285	ENDIF
9286	!
9287	!-- Nitric acid
9288	IF ( index_no > 0 ) THEN
9289	ic = cc_i_mod(6)
9290	CALL set_mass_flux( surface, m, ib, index_no, mass_fracs(ic), arhohno3, &
9291	source_array(j,i,ib) )
9292	ENDIF
9293	!
9294	!-- Ammonia
9295	IF ( index_nh > 0 ) THEN
9296	ic = cc_i_mod(7)
9297	CALL set_mass_flux( surface, m, ib, index_nh, mass_fracs(ic), arhonh3, &
9298	source_array(j,i,ib) )
9299	ENDIF
9300
9301	ENDIF
9302	!
9303	!-- Save number fluxes in the end
9304	surface%answs(m,ib) = surface%answs(m,ib) + source_array(j,i,ib) * rho_air_zw(k-1)
9305	aerosol_number(ib)%source(j,i) = aerosol_number(ib)%source(j,i) + surface%answs(m,ib)
9306
9307	ENDDO ! ib
9308	ENDDO ! m
9309
9310	END SUBROUTINE set_flux
9311
9312	!------------------------------------------------------------------------------!
9313	! Description:
9314	! ------------
9315	!> Sets the mass emissions to aerosol arrays in 2a and 2b.
9316	!------------------------------------------------------------------------------!
9317	SUBROUTINE set_mass_flux( surface, surf_num, ib, ispec, mass_frac, prho, nsource )
9318
9319	USE arrays_3d, &
9320	ONLY: rho_air_zw
9321
9322	USE surface_mod, &
9323	ONLY: surf_type
9324
9325	IMPLICIT NONE
9326
9327	INTEGER(iwp) :: i !< loop index
9328	INTEGER(iwp) :: j !< loop index
9329	INTEGER(iwp) :: k !< loop index
9330	INTEGER(iwp) :: ic !< loop index
9331
9332	INTEGER(iwp), INTENT(in) :: ib !< Aerosol size bin index
9333	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
9334	INTEGER(iwp), INTENT(in) :: surf_num !< index surface elements
9335
9336	REAL(wp), INTENT(in) :: mass_frac !< mass fraction of a chemical compound in all bins
9337	REAL(wp), INTENT(in) :: nsource !< number source (#/m2/s)
9338	REAL(wp), INTENT(in) :: prho !< Aerosol density
9339
9340	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9341	!
9342	!-- Get indices of respective grid point
9343	i = surface%i(surf_num)
9344	j = surface%j(surf_num)
9345	k = surface%k(surf_num)
9346	!
9347	!-- Subrange 2a:
9348	ic = ( ispec - 1 ) * nbins_aerosol + ib
9349	surface%amsws(surf_num,ic) = surface%amsws(surf_num,ic) + mass_frac * nsource * &
9350	aero(ib)%core * prho * rho_air_zw(k-1)
9351	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(surf_num,ic)
9352
9353	END SUBROUTINE set_mass_flux
9354
9355	END SUBROUTINE salsa_emission_setup
9356
9357	!------------------------------------------------------------------------------!
9358	! Description:
9359	! ------------
9360	!> Sets the gaseous fluxes
9361	!------------------------------------------------------------------------------!
9362	SUBROUTINE salsa_gas_emission_setup( init )
9363
9364	USE netcdf_data_input_mod, &
9365	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
9366	inquire_num_variables, inquire_variable_names, &
9367	get_dimension_length, open_read_file
9368
9369	USE palm_date_time_mod, &
9370	ONLY: days_per_week, get_date_time, hours_per_day, months_per_year, seconds_per_hour
9371
9372	USE surface_mod, &
9373	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
9374
9375	IMPLICIT NONE
9376
9377	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
9378	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
9379
9380	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names in input data
9381
9382
9383	INTEGER(iwp) :: day_of_month !< day of the month
9384	INTEGER(iwp) :: day_of_week !< day of the week
9385	INTEGER(iwp) :: day_of_year !< day of the year
9386	INTEGER(iwp) :: hour_of_day !< hour of the day
9387	INTEGER(iwp) :: id_chem !< NetCDF id of chemistry emission file
9388	INTEGER(iwp) :: i !< loop index
9389	INTEGER(iwp) :: ig !< loop index
9390	INTEGER(iwp) :: in !< running index for emission categories
9391	INTEGER(iwp) :: index_dd !< index day
9392	INTEGER(iwp) :: index_hh !< index hour
9393	INTEGER(iwp) :: index_mm !< index month
9394	INTEGER(iwp) :: j !< loop index
9395	INTEGER(iwp) :: month_of_year !< month of the year
9396	INTEGER(iwp) :: num_vars !< number of variables
9397
9398	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
9399
9400	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
9401
9402	REAL(wp) :: second_of_day !< second of the day
9403
9404	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
9405
9406	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: dum_var_3d !<
9407
9408	REAL(wp), DIMENSION(:,:,:,:,:), ALLOCATABLE :: dum_var_5d !<
9409
9410	!
9411	!-- Reset surface fluxes
9412	surf_def_h(0)%gtsws = 0.0_wp
9413	surf_lsm_h%gtsws = 0.0_wp
9414	surf_usm_h%gtsws = 0.0_wp
9415
9416	#if defined( __netcdf )
9417	!
9418	!-- Check existence of PIDS_CHEM file
9419	INQUIRE( FILE = 'PIDS_CHEM' // TRIM( coupling_char ), EXIST = netcdf_extend )
9420	IF ( .NOT. netcdf_extend ) THEN
9421	message_string = 'Input file PIDS_CHEM' // TRIM( coupling_char ) // ' missing!'
9422	CALL message( 'salsa_gas_emission_setup', 'PA0640', 1, 2, 0, 6, 0 )
9423	ENDIF
9424	!
9425	!-- Open file in read-only mode
9426	CALL open_read_file( 'PIDS_CHEM' // TRIM( coupling_char ), id_chem )
9427
9428	IF ( init ) THEN
9429	!
9430	!-- Read the index and name of chemical components
9431	CALL get_dimension_length( id_chem, chem_emission_att%n_emiss_species, 'nspecies' )
9432	ALLOCATE( chem_emission_att%species_index(1:chem_emission_att%n_emiss_species) )
9433	CALL get_variable( id_chem, 'emission_index', chem_emission_att%species_index )
9434	CALL get_variable( id_chem, 'emission_name', chem_emission_att%species_name, &
9435	chem_emission_att%n_emiss_species )
9436	!
9437	!-- Allocate emission data
9438	ALLOCATE( chem_emission(1:chem_emission_att%n_emiss_species) )
9439	!
9440	!-- Find the corresponding indices in the model
9441	emission_index_chem = 0
9442	DO ig = 1, chem_emission_att%n_emiss_species
9443	in_name = chem_emission_att%species_name(ig)
9444	SELECT CASE ( TRIM( in_name ) )
9445	CASE ( 'H2SO4', 'h2so4' )
9446	emission_index_chem(1) = ig
9447	CASE ( 'HNO3', 'hno3' )
9448	emission_index_chem(2) = ig
9449	CASE ( 'NH3', 'nh3' )
9450	emission_index_chem(3) = ig
9451	CASE ( 'OCNV', 'ocnv' )
9452	emission_index_chem(4) = ig
9453	CASE ( 'OCSV', 'ocsv' )
9454	emission_index_chem(5) = ig
9455	END SELECT
9456	ENDDO
9457	!
9458	!-- Inquire the fill value
9459	CALL get_attribute( id_chem, '_FillValue', aero_emission%fill, .FALSE., 'emission_values' )
9460	!
9461	!-- Inquire units of emissions
9462	CALL get_attribute( id_chem, 'units', chem_emission_att%units, .FALSE., 'emission_values' )
9463	!
9464	!-- Inquire the level of detail (lod)
9465	CALL get_attribute( id_chem, 'lod', lod_gas_emissions, .FALSE., 'emission_values' )
9466	!
9467	!-- Variable names
9468	CALL inquire_num_variables( id_chem, num_vars )
9469	ALLOCATE( var_names(1:num_vars) )
9470	CALL inquire_variable_names( id_chem, var_names )
9471	!
9472	!-- Default mode: as total emissions per year
9473	IF ( lod_gas_emissions == 1 ) THEN
9474
9475	!
9476	!-- Get number of emission categories and allocate emission arrays
9477	CALL get_dimension_length( id_chem, chem_emission_att%ncat, 'ncat' )
9478	ALLOCATE( chem_emission_att%cat_index(1:chem_emission_att%ncat), &
9479	time_factor(1:chem_emission_att%ncat) )
9480	!
9481	!-- Get emission category names and indices
9482	CALL get_variable( id_chem, 'emission_category_name', chem_emission_att%cat_name, &
9483	chem_emission_att%ncat)
9484	CALL get_variable( id_chem, 'emission_category_index', chem_emission_att%cat_index )
9485	!
9486	!-- Emission time factors: Find check whether emission time factors are given for each hour
9487	!-- of year OR based on month, day and hour
9488	!
9489	!-- For each hour of year:
9490	IF ( check_existence( var_names, 'nhoursyear' ) ) THEN
9491	CALL get_dimension_length( id_chem, chem_emission_att%nhoursyear, 'nhoursyear' )
9492	ALLOCATE( chem_emission_att%hourly_emis_time_factor(1:chem_emission_att%ncat, &
9493	1:chem_emission_att%nhoursyear) )
9494	CALL get_variable( id_chem, 'emission_time_factors', &
9495	chem_emission_att%hourly_emis_time_factor, &
9496	0, chem_emission_att%nhoursyear-1, 0, chem_emission_att%ncat-1 )
9497	!
9498	!-- Based on the month, day and hour:
9499	ELSEIF ( check_existence( var_names, 'nmonthdayhour' ) ) THEN
9500	CALL get_dimension_length( id_chem, chem_emission_att%nmonthdayhour, 'nmonthdayhour' )
9501	ALLOCATE( chem_emission_att%mdh_emis_time_factor(1:chem_emission_att%ncat, &
9502	1:chem_emission_att%nmonthdayhour) )
9503	CALL get_variable( id_chem, 'emission_time_factors', &
9504	chem_emission_att%mdh_emis_time_factor, &
9505	0, chem_emission_att%nmonthdayhour-1, 0, chem_emission_att%ncat-1 )
9506	ELSE
9507	message_string = 'emission_time_factors should be given for each nhoursyear OR ' // &
9508	'nmonthdayhour'
9509	CALL message( 'salsa_gas_emission_setup','PA0641', 1, 2, 0, 6, 0 )
9510	ENDIF
9511	!
9512	!-- Next emission update
9513	CALL get_date_time( time_since_reference_point, second_of_day=second_of_day )
9514	next_gas_emission_update = MOD( second_of_day, seconds_per_hour ) !- seconds_per_hour
9515	!
9516	!-- Allocate and read surface emission data (in total PM) (NOTE that "preprocessed" input data
9517	!-- array is applied now here)
9518	ALLOCATE( dum_var_5d(1,nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species, &
9519	1:chem_emission_att%ncat) )
9520	CALL get_variable( id_chem, 'emission_values', dum_var_5d, 0, chem_emission_att%ncat-1, &
9521	0, chem_emission_att%n_emiss_species-1, nxl, nxr, nys, nyn, 0, 0 )
9522	DO ig = 1, chem_emission_att%n_emiss_species
9523	ALLOCATE( chem_emission(ig)%default_emission_data(nys:nyn,nxl:nxr, &
9524	1:chem_emission_att%ncat) )
9525	DO in = 1, chem_emission_att%ncat
9526	DO i = nxl, nxr
9527	DO j = nys, nyn
9528	chem_emission(ig)%default_emission_data(j,i,in) = dum_var_5d(1,j,i,ig,in)
9529	ENDDO
9530	ENDDO
9531	ENDDO
9532	ENDDO
9533	DEALLOCATE( dum_var_5d )
9534	!
9535	!-- Pre-processed mode:
9536	ELSEIF ( lod_gas_emissions == 2 ) THEN
9537	!
9538	!-- Number of time steps in the emission data
9539	CALL get_dimension_length( id_chem, chem_emission_att%dt_emission, 'time' )
9540	!
9541	!-- Allocate and read time
9542	ALLOCATE( gas_emission_time(1:chem_emission_att%dt_emission) )
9543	CALL get_variable( id_chem, 'time', gas_emission_time )
9544	ELSE
9545	message_string = 'Unknown lod for emission_values.'
9546	CALL message( 'salsa_gas_emission_setup','PA0642', 1, 2, 0, 6, 0 )
9547	ENDIF ! lod
9548
9549	ENDIF ! init
9550	!
9551	!-- Define and set current emission values:
9552
9553	IF ( lod_gas_emissions == 1 ) THEN
9554	!
9555	!-- Emission time factors for each emission category at current time step
9556	IF ( chem_emission_att%nhoursyear > chem_emission_att%nmonthdayhour ) THEN
9557	!
9558	!-- Get the index of the current hour
9559	CALL get_date_time( time_since_reference_point, &
9560	day_of_year=day_of_year, hour=hour_of_day )
9561	index_hh = ( day_of_year - 1_iwp ) * hours_per_day + hour_of_day
9562	IF ( .NOT. ALLOCATED( time_factor ) ) ALLOCATE( time_factor(1:chem_emission_att%ncat) )
9563	time_factor = 0.0_wp
9564	time_factor = chem_emission_att%hourly_emis_time_factor(:,index_hh+1)
9565
9566	ELSEIF ( chem_emission_att%nhoursyear < chem_emission_att%nmonthdayhour ) THEN
9567	!
9568	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
9569	!-- Needs to be calculated.)
9570	CALL get_date_time( time_since_reference_point, &
9571	month=month_of_year, &
9572	day=day_of_month, &
9573	hour=hour_of_day, &
9574	day_of_week=day_of_week )
9575	index_mm = month_of_year
9576	index_dd = months_per_year + day_of_week
9577	SELECT CASE( TRIM( daytype ) )
9578
9579	CASE ("workday")
9580	index_hh = months_per_year + days_per_week + hour_of_day
9581
9582	CASE ("weekend")
9583	index_hh = months_per_year + days_per_week + hours_per_day + hour_of_day
9584
9585	CASE ("holiday")
9586	index_hh = months_per_year + days_per_week + 2*hours_per_day + hour_of_day
9587
9588	END SELECT
9589	time_factor = chem_emission_att%mdh_emis_time_factor(:,index_mm) * &
9590	chem_emission_att%mdh_emis_time_factor(:,index_dd) * &
9591	chem_emission_att%mdh_emis_time_factor(:,index_hh+1)
9592	ENDIF
9593	!
9594	!-- Set gas emissions for each emission category
9595	ALLOCATE( dum_var_3d(nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species) )
9596
9597	DO in = 1, chem_emission_att%ncat
9598	DO ig = 1, chem_emission_att%n_emiss_species
9599	dum_var_3d(:,:,ig) = chem_emission(ig)%default_emission_data(:,:,in)
9600	ENDDO
9601	!
9602	!-- Set surface fluxes only for either default, land or urban surface
9603	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9604	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
9605	dum_var_3d, time_factor(in) )
9606	ELSE
9607	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
9608	dum_var_3d, time_factor(in) )
9609	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
9610	dum_var_3d, time_factor(in) )
9611	ENDIF
9612	ENDDO
9613	DEALLOCATE( dum_var_3d )
9614	!
9615	!-- The next emission update is again after one hour
9616	next_gas_emission_update = next_gas_emission_update + 3600.0_wp
9617
9618	ELSEIF ( lod_gas_emissions == 2 ) THEN
9619	!
9620	!-- Get time_utc_init from origin_date_time
9621	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
9622	!
9623	!-- Obtain time index for current point in time. Note, the time coordinate in the input file is
9624	!-- relative to time_utc_init.
9625	chem_emission_att%i_hour = MINLOC( ABS( gas_emission_time - ( time_utc_init + &
9626	MAX( time_since_reference_point, 0.0_wp) ) ), DIM = 1 ) - 1
9627	!
9628	!-- Allocate the data input array always before reading in the data and deallocate after (NOTE
9629	!-- that "preprocessed" input data array is applied now here)
9630	ALLOCATE( dum_var_5d(1,1,nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species) )
9631	!
9632	!-- Read in the next time step
9633	CALL get_variable( id_chem, 'emission_values', dum_var_5d, &
9634	0, chem_emission_att%n_emiss_species-1, nxl, nxr, nys, nyn, 0, 0, &
9635	chem_emission_att%i_hour, chem_emission_att%i_hour )
9636	!
9637	!-- Set surface fluxes only for either default, land or urban surface
9638	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9639	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
9640	dum_var_5d(1,1,:,:,:) )
9641	ELSE
9642	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
9643	dum_var_5d(1,1,:,:,:) )
9644	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
9645	dum_var_5d(1,1,:,:,:) )
9646	ENDIF
9647	DEALLOCATE ( dum_var_5d )
9648	!
9649	!-- Determine the next emission update
9650	next_gas_emission_update = gas_emission_time(chem_emission_att%i_hour+2)
9651
9652	ENDIF
9653	!
9654	!-- Close input file
9655	CALL close_input_file( id_chem )
9656
9657	#else
9658	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' // &
9659	' __netcdf is not used in compiling!'
9660	CALL message( 'salsa_gas_emission_setup', 'PA0643', 1, 2, 0, 6, 0 )
9661
9662	#endif
9663
9664	CONTAINS
9665	!------------------------------------------------------------------------------!
9666	! Description:
9667	! ------------
9668	!> Set gas fluxes for selected type of surfaces
9669	!------------------------------------------------------------------------------!
9670	SUBROUTINE set_gas_flux( surface, cc_i_mod, unit, source_array, time_fac )
9671
9672	USE arrays_3d, &
9673	ONLY: dzw, hyp, pt, rho_air_zw
9674
9675	USE grid_variables, &
9676	ONLY: dx, dy
9677
9678	USE surface_mod, &
9679	ONLY: surf_type
9680
9681	IMPLICIT NONE
9682
9683	CHARACTER(LEN=*), INTENT(in) :: unit !< flux unit in the input file
9684
9685	INTEGER(iwp) :: ig !< running index for gases
9686	INTEGER(iwp) :: i !< loop index
9687	INTEGER(iwp) :: j !< loop index
9688	INTEGER(iwp) :: k !< loop index
9689	INTEGER(iwp) :: m !< running index for surface elements
9690
9691	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of different gases in the input data
9692
9693	LOGICAL :: use_time_fac !< .TRUE. is time_fac present
9694
9695	REAL(wp), OPTIONAL :: time_fac !< emission time factor
9696
9697	REAL(wp), DIMENSION(ngases_salsa) :: conv !< unit conversion factor
9698
9699	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species), INTENT(in) :: source_array !<
9700
9701	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9702
9703	conv = 1.0_wp
9704	use_time_fac = PRESENT( time_fac )
9705
9706	DO m = 1, surface%ns
9707	!
9708	!-- Get indices of respective grid point
9709	i = surface%i(m)
9710	j = surface%j(m)
9711	k = surface%k(m)
9712	!
9713	!-- Unit conversion factor: convert to SI units (#/m2/s)
9714	SELECT CASE ( TRIM( unit ) )
9715	CASE ( 'kg/m2/yr' )
9716	conv(1) = avo / ( amh2so4 * 3600.0_wp )
9717	conv(2) = avo / ( amhno3 * 3600.0_wp )
9718	conv(3) = avo / ( amnh3 * 3600.0_wp )
9719	conv(4) = avo / ( amoc * 3600.0_wp )
9720	conv(5) = avo / ( amoc * 3600.0_wp )
9721	CASE ( 'g/m2/yr' )
9722	conv(1) = avo / ( amh2so4 * 3.6E+6_wp )
9723	conv(2) = avo / ( amhno3 * 3.6E+6_wp )
9724	conv(3) = avo / ( amnh3 * 3.6E+6_wp )
9725	conv(4) = avo / ( amoc * 3.6E+6_wp )
9726	conv(5) = avo / ( amoc * 3.6E+6_wp )
9727	CASE ( 'g/m2/s' )
9728	conv(1) = avo / ( amh2so4 * 1000.0_wp )
9729	conv(2) = avo / ( amhno3 * 1000.0_wp )
9730	conv(3) = avo / ( amnh3 * 1000.0_wp )
9731	conv(4) = avo / ( amoc * 1000.0_wp )
9732	conv(5) = avo / ( amoc * 1000.0_wp )
9733	CASE ( '#/m2/s' )
9734	conv = 1.0_wp
9735	CASE ( 'ppm/m2/s' )
9736	conv = for_ppm_to_nconc * hyp(k) / pt(k,j,i) * ( 1.0E5_wp / hyp(k) )*0.286_wp &
9737	dx * dy * dzw(k)
9738	CASE ( 'mumol/m2/s' )
9739	conv = 1.0E-6_wp * avo
9740	CASE DEFAULT
9741	message_string = 'unknown unit for gas emissions: ' // TRIM( chem_emission_att%units )
9742	CALL message( 'set_gas_flux','PA0644', 1, 2, 0, 6, 0 )
9743
9744	END SELECT
9745
9746	DO ig = 1, ngases_salsa
9747	IF ( use_time_fac ) THEN
9748	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) * time_fac &
9749	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9750	ELSE
9751	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) &
9752	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9753	ENDIF
9754	ENDDO ! ig
9755
9756	ENDDO ! m
9757
9758	END SUBROUTINE set_gas_flux
9759
9760	END SUBROUTINE salsa_gas_emission_setup
9761
9762	!------------------------------------------------------------------------------!
9763	! Description:
9764	! ------------
9765	!> Check data output for salsa.
9766	!------------------------------------------------------------------------------!
9767	SUBROUTINE salsa_check_data_output( var, unit )
9768
9769	IMPLICIT NONE
9770
9771	CHARACTER(LEN=*) :: unit !<
9772	CHARACTER(LEN=*) :: var !<
9773
9774	INTEGER(iwp) :: char_to_int !< for converting character to integer
9775
9776	IF ( var(1:6) /= 'salsa_' ) THEN
9777	unit = 'illegal'
9778	RETURN
9779	ENDIF
9780	!
9781	!-- Treat bin-specific outputs separately
9782	IF ( var(7:11) == 'N_bin' ) THEN
9783	READ( var(12:),* ) char_to_int
9784	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
9785	unit = '#/m3'
9786	ELSE
9787	unit = 'illegal'
9788	RETURN
9789	ENDIF
9790
9791	ELSEIF ( var(7:11) == 'm_bin' ) THEN
9792	READ( var(12:),* ) char_to_int
9793	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
9794	unit = 'kg/m3'
9795	ELSE
9796	unit = 'illegal'
9797	RETURN
9798	ENDIF
9799
9800	ELSE
9801	SELECT CASE ( TRIM( var(7:) ) )
9802
9803	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9804	IF ( air_chemistry ) THEN
9805	message_string = 'gases are imported from the chemistry module and thus output '// &
9806	'of "' // TRIM( var ) // '" is not allowed'
9807	CALL message( 'check_parameters', 'PA0653', 1, 2, 0, 6, 0 )
9808	ENDIF
9809	unit = '#/m3'
9810
9811	CASE ( 'LDSA' )
9812	unit = 'mum2/cm3'
9813
9814	CASE ( 'PM0.1', 'PM2.5', 'PM10', 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', &
9815	's_SO4', 's_SS' )
9816	unit = 'kg/m3'
9817
9818	CASE ( 'N_UFP', 'Ntot' )
9819	unit = '#/m3'
9820
9821	CASE DEFAULT
9822	unit = 'illegal'
9823
9824	END SELECT
9825	ENDIF
9826
9827	END SUBROUTINE salsa_check_data_output
9828
9829	!------------------------------------------------------------------------------!
9830	! Description:
9831	! ------------
9832	!> Check profile data output for salsa. Currently only for diagnostic variables
9833	!> Ntot, N_UFP, PM0.1, PM2.5, PM10 and LDSA
9834	!------------------------------------------------------------------------------!
9835	SUBROUTINE salsa_check_data_output_pr( var, var_count, unit, dopr_unit )
9836
9837	USE arrays_3d, &
9838	ONLY: zu
9839
9840	USE profil_parameter, &
9841	ONLY: dopr_index
9842
9843	USE statistics, &
9844	ONLY: hom, pr_palm, statistic_regions
9845
9846	IMPLICIT NONE
9847
9848	CHARACTER(LEN=*) :: dopr_unit !<
9849	CHARACTER(LEN=*) :: unit !<
9850	CHARACTER(LEN=*) :: var !<
9851
9852	INTEGER(iwp) :: var_count !<
9853
9854	IF ( var(1:6) /= 'salsa_' ) THEN
9855	unit = 'illegal'
9856	RETURN
9857	ENDIF
9858
9859	SELECT CASE ( TRIM( var(7:) ) )
9860
9861	CASE( 'LDSA' )
9862	salsa_pr_count = salsa_pr_count + 1
9863	salsa_pr_index(salsa_pr_count) = 1
9864	dopr_index(var_count) = pr_palm + salsa_pr_count
9865	dopr_unit = 'mum2/cm3'
9866	unit = dopr_unit
9867	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9868
9869	CASE( 'N_UFP' )
9870	salsa_pr_count = salsa_pr_count + 1
9871	salsa_pr_index(salsa_pr_count) = 2
9872	dopr_index(var_count) = pr_palm + salsa_pr_count
9873	dopr_unit = '#/m3'
9874	unit = dopr_unit
9875	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9876
9877	CASE( 'Ntot' )
9878	salsa_pr_count = salsa_pr_count + 1
9879	salsa_pr_index(salsa_pr_count) = 3
9880	dopr_index(var_count) = pr_palm + salsa_pr_count
9881	dopr_unit = '#/m3'
9882	unit = dopr_unit
9883	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9884
9885	CASE( 'PM0.1' )
9886	salsa_pr_count = salsa_pr_count + 1
9887	salsa_pr_index(salsa_pr_count) = 4
9888	dopr_index(var_count) = pr_palm + salsa_pr_count
9889	dopr_unit = 'kg/m3'
9890	unit = dopr_unit
9891	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9892
9893	CASE( 'PM2.5' )
9894	salsa_pr_count = salsa_pr_count + 1
9895	salsa_pr_index(salsa_pr_count) = 5
9896	dopr_index(var_count) = pr_palm + salsa_pr_count
9897	dopr_unit = 'kg/m3'
9898	unit = dopr_unit
9899	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9900
9901	CASE( 'PM10' )
9902	salsa_pr_count = salsa_pr_count + 1
9903	salsa_pr_index(salsa_pr_count) = 6
9904	dopr_index(var_count) = pr_palm + salsa_pr_count
9905	dopr_unit = 'kg/m3'
9906	unit = dopr_unit
9907	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9908
9909	CASE DEFAULT
9910	unit = 'illegal'
9911
9912	END SELECT
9913
9914
9915	END SUBROUTINE salsa_check_data_output_pr
9916
9917	!-------------------------------------------------------------------------------!
9918	!> Description:
9919	!> Calculation of horizontally averaged profiles for salsa.
9920	!-------------------------------------------------------------------------------!
9921	SUBROUTINE salsa_statistics( mode, sr, tn )
9922
9923	USE control_parameters, &
9924	ONLY: max_pr_user
9925
9926	USE chem_modules, &
9927	ONLY: max_pr_cs
9928
9929	USE statistics, &
9930	ONLY: pr_palm, rmask, sums_l
9931
9932	IMPLICIT NONE
9933
9934	CHARACTER(LEN=*) :: mode !<
9935
9936	INTEGER(iwp) :: i !< loop index
9937	INTEGER(iwp) :: ib !< loop index
9938	INTEGER(iwp) :: ic !< loop index
9939	INTEGER(iwp) :: ii !< loop index
9940	INTEGER(iwp) :: ind !< index in the statistical output
9941	INTEGER(iwp) :: j !< loop index
9942	INTEGER(iwp) :: k !< loop index
9943	INTEGER(iwp) :: sr !< statistical region
9944	INTEGER(iwp) :: tn !< thread number
9945
9946	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
9947	!< (or tracheobronchial) region of the lung. Depends on the particle size
9948	REAL(wp) :: mean_d !< Particle diameter in micrometres
9949	REAL(wp) :: temp_bin !< temporary variable
9950
9951	IF ( mode == 'profiles' ) THEN
9952	!$OMP DO
9953	DO ii = 1, salsa_pr_count
9954
9955	ind = pr_palm + max_pr_user + max_pr_cs + ii
9956
9957	SELECT CASE( salsa_pr_index(ii) )
9958
9959	CASE( 1 ) ! LDSA
9960	DO i = nxl, nxr
9961	DO j = nys, nyn
9962	DO k = nzb, nzt+1
9963	temp_bin = 0.0_wp
9964	DO ib = 1, nbins_aerosol
9965	!
9966	!-- Diameter in micrometres
9967	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
9968	!
9969	!-- Deposition factor: alveolar
9970	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
9971	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
9972	1.362_wp )**2 ) )
9973	!
9974	!-- Lung-deposited surface area LDSA (units mum2/cm3)
9975	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
9976	aerosol_number(ib)%conc(k,j,i)
9977	ENDDO
9978	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9979	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9980	ENDDO
9981	ENDDO
9982	ENDDO
9983
9984	CASE( 2 ) ! N_UFP
9985	DO i = nxl, nxr
9986	DO j = nys, nyn
9987	DO k = nzb, nzt+1
9988	temp_bin = 0.0_wp
9989	DO ib = 1, nbins_aerosol
9990	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) &
9991	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
9992	ENDDO
9993	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9994	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9995	ENDDO
9996	ENDDO
9997	ENDDO
9998
9999	CASE( 3 ) ! Ntot
10000	DO i = nxl, nxr
10001	DO j = nys, nyn
10002	DO k = nzb, nzt+1
10003	temp_bin = 0.0_wp
10004	DO ib = 1, nbins_aerosol
10005	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10006	ENDDO
10007	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10008	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10009	ENDDO
10010	ENDDO
10011	ENDDO
10012
10013	CASE( 4 ) ! PM0.1
10014	DO i = nxl, nxr
10015	DO j = nys, nyn
10016	DO k = nzb, nzt+1
10017	temp_bin = 0.0_wp
10018	DO ib = 1, nbins_aerosol
10019	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10020	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10021	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10022	ENDDO
10023	ENDIF
10024	ENDDO
10025	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10026	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10027	ENDDO
10028	ENDDO
10029	ENDDO
10030
10031	CASE( 5 ) ! PM2.5
10032	DO i = nxl, nxr
10033	DO j = nys, nyn
10034	DO k = nzb, nzt+1
10035	temp_bin = 0.0_wp
10036	DO ib = 1, nbins_aerosol
10037	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10038	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10039	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10040	ENDDO
10041	ENDIF
10042	ENDDO
10043	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10044	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10045	ENDDO
10046	ENDDO
10047	ENDDO
10048
10049	CASE( 6 ) ! PM10
10050	DO i = nxl, nxr
10051	DO j = nys, nyn
10052	DO k = nzb, nzt+1
10053	temp_bin = 0.0_wp
10054	DO ib = 1, nbins_aerosol
10055	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10056	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10057	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10058	ENDDO
10059	ENDIF
10060	ENDDO
10061	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10062	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10063	ENDDO
10064	ENDDO
10065	ENDDO
10066
10067	END SELECT
10068	ENDDO
10069
10070	ELSEIF ( mode == 'time_series' ) THEN
10071	!
10072	!-- TODO
10073	ENDIF
10074
10075	END SUBROUTINE salsa_statistics
10076
10077
10078	!------------------------------------------------------------------------------!
10079	!
10080	! Description:
10081	! ------------
10082	!> Subroutine for averaging 3D data
10083	!------------------------------------------------------------------------------!
10084	SUBROUTINE salsa_3d_data_averaging( mode, variable )
10085
10086	USE control_parameters, &
10087	ONLY: average_count_3d
10088
10089	IMPLICIT NONE
10090
10091	CHARACTER(LEN=*) :: mode !<
10092	CHARACTER(LEN=10) :: vari !<
10093	CHARACTER(LEN=*) :: variable !<
10094
10095	INTEGER(iwp) :: char_to_int !< for converting character to integer
10096	INTEGER(iwp) :: found_index !<
10097	INTEGER(iwp) :: i !<
10098	INTEGER(iwp) :: ib !<
10099	INTEGER(iwp) :: ic !<
10100	INTEGER(iwp) :: j !<
10101	INTEGER(iwp) :: k !<
10102
10103	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
10104	!< (or tracheobronchial) region of the lung. Depends on the particle size
10105	REAL(wp) :: mean_d !< Particle diameter in micrometres
10106	REAL(wp) :: temp_bin !< temporary variable
10107
10108	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< points to selected output variable
10109
10110	temp_bin = 0.0_wp
10111
10112	IF ( mode == 'allocate' ) THEN
10113
10114	IF ( variable(7:11) == 'N_bin' ) THEN
10115	IF ( .NOT. ALLOCATED( nbins_av ) ) THEN
10116	ALLOCATE( nbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
10117	ENDIF
10118	nbins_av = 0.0_wp
10119
10120	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10121	IF ( .NOT. ALLOCATED( mbins_av ) ) THEN
10122	ALLOCATE( mbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
10123	ENDIF
10124	mbins_av = 0.0_wp
10125
10126	ELSE
10127
10128	SELECT CASE ( TRIM( variable(7:) ) )
10129
10130	CASE ( 'g_H2SO4' )
10131	IF ( .NOT. ALLOCATED( g_h2so4_av ) ) THEN
10132	ALLOCATE( g_h2so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10133	ENDIF
10134	g_h2so4_av = 0.0_wp
10135
10136	CASE ( 'g_HNO3' )
10137	IF ( .NOT. ALLOCATED( g_hno3_av ) ) THEN
10138	ALLOCATE( g_hno3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10139	ENDIF
10140	g_hno3_av = 0.0_wp
10141
10142	CASE ( 'g_NH3' )
10143	IF ( .NOT. ALLOCATED( g_nh3_av ) ) THEN
10144	ALLOCATE( g_nh3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10145	ENDIF
10146	g_nh3_av = 0.0_wp
10147
10148	CASE ( 'g_OCNV' )
10149	IF ( .NOT. ALLOCATED( g_ocnv_av ) ) THEN
10150	ALLOCATE( g_ocnv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10151	ENDIF
10152	g_ocnv_av = 0.0_wp
10153
10154	CASE ( 'g_OCSV' )
10155	IF ( .NOT. ALLOCATED( g_ocsv_av ) ) THEN
10156	ALLOCATE( g_ocsv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10157	ENDIF
10158	g_ocsv_av = 0.0_wp
10159
10160	CASE ( 'LDSA' )
10161	IF ( .NOT. ALLOCATED( ldsa_av ) ) THEN
10162	ALLOCATE( ldsa_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10163	ENDIF
10164	ldsa_av = 0.0_wp
10165
10166	CASE ( 'N_UFP' )
10167	IF ( .NOT. ALLOCATED( nufp_av ) ) THEN
10168	ALLOCATE( nufp_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10169	ENDIF
10170	nufp_av = 0.0_wp
10171
10172	CASE ( 'Ntot' )
10173	IF ( .NOT. ALLOCATED( ntot_av ) ) THEN
10174	ALLOCATE( ntot_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10175	ENDIF
10176	ntot_av = 0.0_wp
10177
10178	CASE ( 'PM0.1' )
10179	IF ( .NOT. ALLOCATED( pm01_av ) ) THEN
10180	ALLOCATE( pm01_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10181	ENDIF
10182	pm01_av = 0.0_wp
10183
10184	CASE ( 'PM2.5' )
10185	IF ( .NOT. ALLOCATED( pm25_av ) ) THEN
10186	ALLOCATE( pm25_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10187	ENDIF
10188	pm25_av = 0.0_wp
10189
10190	CASE ( 'PM10' )
10191	IF ( .NOT. ALLOCATED( pm10_av ) ) THEN
10192	ALLOCATE( pm10_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10193	ENDIF
10194	pm10_av = 0.0_wp
10195
10196	CASE ( 's_BC' )
10197	IF ( .NOT. ALLOCATED( s_bc_av ) ) THEN
10198	ALLOCATE( s_bc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10199	ENDIF
10200	s_bc_av = 0.0_wp
10201
10202	CASE ( 's_DU' )
10203	IF ( .NOT. ALLOCATED( s_du_av ) ) THEN
10204	ALLOCATE( s_du_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10205	ENDIF
10206	s_du_av = 0.0_wp
10207
10208	CASE ( 's_H2O' )
10209	IF ( .NOT. ALLOCATED( s_h2o_av ) ) THEN
10210	ALLOCATE( s_h2o_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10211	ENDIF
10212	s_h2o_av = 0.0_wp
10213
10214	CASE ( 's_NH' )
10215	IF ( .NOT. ALLOCATED( s_nh_av ) ) THEN
10216	ALLOCATE( s_nh_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10217	ENDIF
10218	s_nh_av = 0.0_wp
10219
10220	CASE ( 's_NO' )
10221	IF ( .NOT. ALLOCATED( s_no_av ) ) THEN
10222	ALLOCATE( s_no_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10223	ENDIF
10224	s_no_av = 0.0_wp
10225
10226	CASE ( 's_OC' )
10227	IF ( .NOT. ALLOCATED( s_oc_av ) ) THEN
10228	ALLOCATE( s_oc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10229	ENDIF
10230	s_oc_av = 0.0_wp
10231
10232	CASE ( 's_SO4' )
10233	IF ( .NOT. ALLOCATED( s_so4_av ) ) THEN
10234	ALLOCATE( s_so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10235	ENDIF
10236	s_so4_av = 0.0_wp
10237
10238	CASE ( 's_SS' )
10239	IF ( .NOT. ALLOCATED( s_ss_av ) ) THEN
10240	ALLOCATE( s_ss_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10241	ENDIF
10242	s_ss_av = 0.0_wp
10243
10244	CASE DEFAULT
10245	CONTINUE
10246
10247	END SELECT
10248
10249	ENDIF
10250
10251	ELSEIF ( mode == 'sum' ) THEN
10252
10253	IF ( variable(7:11) == 'N_bin' ) THEN
10254	READ( variable(12:),* ) char_to_int
10255	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10256	ib = char_to_int
10257	DO i = nxlg, nxrg
10258	DO j = nysg, nyng
10259	DO k = nzb, nzt+1
10260	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) + aerosol_number(ib)%conc(k,j,i)
10261	ENDDO
10262	ENDDO
10263	ENDDO
10264	ENDIF
10265
10266	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10267	READ( variable(12:),* ) char_to_int
10268	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10269	ib = char_to_int
10270	DO i = nxlg, nxrg
10271	DO j = nysg, nyng
10272	DO k = nzb, nzt+1
10273	temp_bin = 0.0_wp
10274	DO ic = ib, nbins_aerosol * ncomponents_mass, nbins_aerosol
10275	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10276	ENDDO
10277	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) + temp_bin
10278	ENDDO
10279	ENDDO
10280	ENDDO
10281	ENDIF
10282	ELSE
10283
10284	SELECT CASE ( TRIM( variable(7:) ) )
10285
10286	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10287
10288	vari = TRIM( variable(9:) ) ! remove salsa_g_ from beginning
10289
10290	SELECT CASE( vari )
10291
10292	CASE( 'H2SO4' )
10293	found_index = 1
10294	to_be_resorted => g_h2so4_av
10295
10296	CASE( 'HNO3' )
10297	found_index = 2
10298	to_be_resorted => g_hno3_av
10299
10300	CASE( 'NH3' )
10301	found_index = 3
10302	to_be_resorted => g_nh3_av
10303
10304	CASE( 'OCNV' )
10305	found_index = 4
10306	to_be_resorted => g_ocnv_av
10307
10308	CASE( 'OCSV' )
10309	found_index = 5
10310	to_be_resorted => g_ocsv_av
10311
10312	END SELECT
10313
10314	DO i = nxlg, nxrg
10315	DO j = nysg, nyng
10316	DO k = nzb, nzt+1
10317	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
10318	salsa_gas(found_index)%conc(k,j,i)
10319	ENDDO
10320	ENDDO
10321	ENDDO
10322
10323	CASE ( 'LDSA' )
10324	DO i = nxlg, nxrg
10325	DO j = nysg, nyng
10326	DO k = nzb, nzt+1
10327	temp_bin = 0.0_wp
10328	DO ib = 1, nbins_aerosol
10329	!
10330	!-- Diameter in micrometres
10331	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10332	!
10333	!-- Deposition factor: alveolar (use ra_dry)
10334	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10335	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10336	1.362_wp )**2 ) )
10337	!
10338	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10339	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10340	aerosol_number(ib)%conc(k,j,i)
10341	ENDDO
10342	ldsa_av(k,j,i) = ldsa_av(k,j,i) + temp_bin
10343	ENDDO
10344	ENDDO
10345	ENDDO
10346
10347	CASE ( 'N_UFP' )
10348	DO i = nxlg, nxrg
10349	DO j = nysg, nyng
10350	DO k = nzb, nzt+1
10351	temp_bin = 0.0_wp
10352	DO ib = 1, nbins_aerosol
10353	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10354	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10355	ENDIF
10356	ENDDO
10357	nufp_av(k,j,i) = nufp_av(k,j,i) + temp_bin
10358	ENDDO
10359	ENDDO
10360	ENDDO
10361
10362	CASE ( 'Ntot' )
10363	DO i = nxlg, nxrg
10364	DO j = nysg, nyng
10365	DO k = nzb, nzt+1
10366	DO ib = 1, nbins_aerosol
10367	ntot_av(k,j,i) = ntot_av(k,j,i) + aerosol_number(ib)%conc(k,j,i)
10368	ENDDO
10369	ENDDO
10370	ENDDO
10371	ENDDO
10372
10373	CASE ( 'PM0.1' )
10374	DO i = nxlg, nxrg
10375	DO j = nysg, nyng
10376	DO k = nzb, nzt+1
10377	temp_bin = 0.0_wp
10378	DO ib = 1, nbins_aerosol
10379	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10380	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10381	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10382	ENDDO
10383	ENDIF
10384	ENDDO
10385	pm01_av(k,j,i) = pm01_av(k,j,i) + temp_bin
10386	ENDDO
10387	ENDDO
10388	ENDDO
10389
10390	CASE ( 'PM2.5' )
10391	DO i = nxlg, nxrg
10392	DO j = nysg, nyng
10393	DO k = nzb, nzt+1
10394	temp_bin = 0.0_wp
10395	DO ib = 1, nbins_aerosol
10396	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10397	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10398	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10399	ENDDO
10400	ENDIF
10401	ENDDO
10402	pm25_av(k,j,i) = pm25_av(k,j,i) + temp_bin
10403	ENDDO
10404	ENDDO
10405	ENDDO
10406
10407	CASE ( 'PM10' )
10408	DO i = nxlg, nxrg
10409	DO j = nysg, nyng
10410	DO k = nzb, nzt+1
10411	temp_bin = 0.0_wp
10412	DO ib = 1, nbins_aerosol
10413	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10414	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10415	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10416	ENDDO
10417	ENDIF
10418	ENDDO
10419	pm10_av(k,j,i) = pm10_av(k,j,i) + temp_bin
10420	ENDDO
10421	ENDDO
10422	ENDDO
10423
10424	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10425	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
10426	found_index = get_index( prtcl, TRIM( variable(9:) ) )
10427	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
10428	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
10429	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
10430	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
10431	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
10432	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
10433	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
10434	DO i = nxlg, nxrg
10435	DO j = nysg, nyng
10436	DO k = nzb, nzt+1
10437	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10438	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
10439	aerosol_mass(ic)%conc(k,j,i)
10440	ENDDO
10441	ENDDO
10442	ENDDO
10443	ENDDO
10444	ENDIF
10445
10446	CASE ( 's_H2O' )
10447	found_index = get_index( prtcl,'H2O' )
10448	to_be_resorted => s_h2o_av
10449	DO i = nxlg, nxrg
10450	DO j = nysg, nyng
10451	DO k = nzb, nzt+1
10452	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10453	s_h2o_av(k,j,i) = s_h2o_av(k,j,i) + aerosol_mass(ic)%conc(k,j,i)
10454	ENDDO
10455	ENDDO
10456	ENDDO
10457	ENDDO
10458
10459	CASE DEFAULT
10460	CONTINUE
10461
10462	END SELECT
10463
10464	ENDIF
10465
10466	ELSEIF ( mode == 'average' ) THEN
10467
10468	IF ( variable(7:11) == 'N_bin' ) THEN
10469	READ( variable(12:),* ) char_to_int
10470	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10471	ib = char_to_int
10472	DO i = nxlg, nxrg
10473	DO j = nysg, nyng
10474	DO k = nzb, nzt+1
10475	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp )
10476	ENDDO
10477	ENDDO
10478	ENDDO
10479	ENDIF
10480
10481	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10482	READ( variable(12:),* ) char_to_int
10483	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10484	ib = char_to_int
10485	DO i = nxlg, nxrg
10486	DO j = nysg, nyng
10487	DO k = nzb, nzt+1
10488	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp)
10489	ENDDO
10490	ENDDO
10491	ENDDO
10492	ENDIF
10493	ELSE
10494
10495	SELECT CASE ( TRIM( variable(7:) ) )
10496
10497	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10498	IF ( TRIM( variable(9:) ) == 'H2SO4' ) THEN ! 9: remove salsa_g_ from beginning
10499	found_index = 1
10500	to_be_resorted => g_h2so4_av
10501	ELSEIF ( TRIM( variable(9:) ) == 'HNO3' ) THEN
10502	found_index = 2
10503	to_be_resorted => g_hno3_av
10504	ELSEIF ( TRIM( variable(9:) ) == 'NH3' ) THEN
10505	found_index = 3
10506	to_be_resorted => g_nh3_av
10507	ELSEIF ( TRIM( variable(9:) ) == 'OCNV' ) THEN
10508	found_index = 4
10509	to_be_resorted => g_ocnv_av
10510	ELSEIF ( TRIM( variable(9:) ) == 'OCSV' ) THEN
10511	found_index = 5
10512	to_be_resorted => g_ocsv_av
10513	ENDIF
10514	DO i = nxlg, nxrg
10515	DO j = nysg, nyng
10516	DO k = nzb, nzt+1
10517	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10518	REAL( average_count_3d, KIND=wp )
10519	ENDDO
10520	ENDDO
10521	ENDDO
10522
10523	CASE ( 'LDSA' )
10524	DO i = nxlg, nxrg
10525	DO j = nysg, nyng
10526	DO k = nzb, nzt+1
10527	ldsa_av(k,j,i) = ldsa_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10528	ENDDO
10529	ENDDO
10530	ENDDO
10531
10532	CASE ( 'N_UFP' )
10533	DO i = nxlg, nxrg
10534	DO j = nysg, nyng
10535	DO k = nzb, nzt+1
10536	nufp_av(k,j,i) = nufp_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10537	ENDDO
10538	ENDDO
10539	ENDDO
10540
10541	CASE ( 'Ntot' )
10542	DO i = nxlg, nxrg
10543	DO j = nysg, nyng
10544	DO k = nzb, nzt+1
10545	ntot_av(k,j,i) = ntot_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10546	ENDDO
10547	ENDDO
10548	ENDDO
10549
10550
10551	CASE ( 'PM0.1' )
10552	DO i = nxlg, nxrg
10553	DO j = nysg, nyng
10554	DO k = nzb, nzt+1
10555	pm01_av(k,j,i) = pm01_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10556	ENDDO
10557	ENDDO
10558	ENDDO
10559
10560	CASE ( 'PM2.5' )
10561	DO i = nxlg, nxrg
10562	DO j = nysg, nyng
10563	DO k = nzb, nzt+1
10564	pm25_av(k,j,i) = pm25_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10565	ENDDO
10566	ENDDO
10567	ENDDO
10568
10569	CASE ( 'PM10' )
10570	DO i = nxlg, nxrg
10571	DO j = nysg, nyng
10572	DO k = nzb, nzt+1
10573	pm10_av(k,j,i) = pm10_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10574	ENDDO
10575	ENDDO
10576	ENDDO
10577
10578	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10579	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
10580	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
10581	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
10582	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
10583	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
10584	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
10585	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
10586	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
10587	DO i = nxlg, nxrg
10588	DO j = nysg, nyng
10589	DO k = nzb, nzt+1
10590	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10591	REAL( average_count_3d, KIND=wp )
10592	ENDDO
10593	ENDDO
10594	ENDDO
10595	ENDIF
10596
10597	CASE ( 's_H2O' )
10598	to_be_resorted => s_h2o_av
10599	DO i = nxlg, nxrg
10600	DO j = nysg, nyng
10601	DO k = nzb, nzt+1
10602	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10603	REAL( average_count_3d, KIND=wp )
10604	ENDDO
10605	ENDDO
10606	ENDDO
10607
10608	END SELECT
10609
10610	ENDIF
10611	ENDIF
10612
10613	END SUBROUTINE salsa_3d_data_averaging
10614
10615
10616	!------------------------------------------------------------------------------!
10617	!
10618	! Description:
10619	! ------------
10620	!> Subroutine defining 2D output variables
10621	!------------------------------------------------------------------------------!
10622	SUBROUTINE salsa_data_output_2d( av, variable, found, grid, mode, local_pf, two_d, nzb_do, nzt_do )
10623
10624	USE indices
10625
10626	USE kinds
10627
10628
10629	IMPLICIT NONE
10630
10631	CHARACTER(LEN=*) :: grid !<
10632	CHARACTER(LEN=*) :: mode !<
10633	CHARACTER(LEN=*) :: variable !<
10634	CHARACTER(LEN=5) :: vari !< trimmed format of variable
10635
10636	INTEGER(iwp) :: av !<
10637	INTEGER(iwp) :: char_to_int !< for converting character to integer
10638	INTEGER(iwp) :: found_index !< index of a chemical compound
10639	INTEGER(iwp) :: i !<
10640	INTEGER(iwp) :: ib !< running index: size bins
10641	INTEGER(iwp) :: ic !< running index: mass bins
10642	INTEGER(iwp) :: j !<
10643	INTEGER(iwp) :: k !<
10644	INTEGER(iwp) :: nzb_do !<
10645	INTEGER(iwp) :: nzt_do !<
10646
10647	LOGICAL :: found !<
10648	LOGICAL :: two_d !< flag parameter to indicate 2D variables (horizontal cross sections)
10649
10650	REAL(wp) :: df !< For calculating LDSA: fraction of particles
10651	!< depositing in the alveolar (or tracheobronchial)
10652	!< region of the lung. Depends on the particle size
10653	REAL(wp) :: mean_d !< Particle diameter in micrometres
10654	REAL(wp) :: temp_bin !< temporary array for calculating output variables
10655
10656	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< output
10657
10658	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
10659	!
10660	!-- Next statement is to avoid compiler warning about unused variable. May be removed in future.
10661	IF ( two_d ) CONTINUE
10662
10663	found = .TRUE.
10664	temp_bin = 0.0_wp
10665
10666	IF ( variable(7:11) == 'N_bin' ) THEN
10667
10668	READ( variable( 12:LEN( TRIM( variable ) ) - 3 ), * ) char_to_int
10669	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10670
10671	ib = char_to_int
10672	IF ( av == 0 ) THEN
10673	DO i = nxl, nxr
10674	DO j = nys, nyn
10675	DO k = nzb_do, nzt_do
10676	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
10677	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10678	ENDDO
10679	ENDDO
10680	ENDDO
10681	ELSE
10682	DO i = nxl, nxr
10683	DO j = nys, nyn
10684	DO k = nzb_do, nzt_do
10685	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10686	BTEST( wall_flags_0(k,j,i), 0 ) )
10687	ENDDO
10688	ENDDO
10689	ENDDO
10690	ENDIF
10691	IF ( mode == 'xy' ) grid = 'zu'
10692	ENDIF
10693
10694	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10695
10696	READ( variable( 12:LEN( TRIM( variable ) ) - 3 ), * ) char_to_int
10697	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10698
10699	ib = char_to_int
10700	IF ( av == 0 ) THEN
10701	DO i = nxl, nxr
10702	DO j = nys, nyn
10703	DO k = nzb_do, nzt_do
10704	temp_bin = 0.0_wp
10705	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
10706	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10707	ENDDO
10708	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10709	BTEST( wall_flags_0(k,j,i), 0 ) )
10710	ENDDO
10711	ENDDO
10712	ENDDO
10713	ELSE
10714	DO i = nxl, nxr
10715	DO j = nys, nyn
10716	DO k = nzb_do, nzt_do
10717	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10718	BTEST( wall_flags_0(k,j,i), 0 ) )
10719	ENDDO
10720	ENDDO
10721	ENDDO
10722	ENDIF
10723	IF ( mode == 'xy' ) grid = 'zu'
10724	ENDIF
10725
10726	ELSE
10727
10728	SELECT CASE ( TRIM( variable( 7:LEN( TRIM( variable ) ) - 3 ) ) ) ! cut out _xy, _xz or _yz
10729
10730	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10731	vari = TRIM( variable( 9:LEN( TRIM( variable ) ) - 3 ) ) ! 9: remove salsa_g_
10732	IF ( av == 0 ) THEN
10733	IF ( vari == 'H2SO4') found_index = 1
10734	IF ( vari == 'HNO3') found_index = 2
10735	IF ( vari == 'NH3') found_index = 3
10736	IF ( vari == 'OCNV') found_index = 4
10737	IF ( vari == 'OCSV') found_index = 5
10738	DO i = nxl, nxr
10739	DO j = nys, nyn
10740	DO k = nzb_do, nzt_do
10741	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
10742	REAL( fill_value, KIND = wp ), &
10743	BTEST( wall_flags_0(k,j,i), 0 ) )
10744	ENDDO
10745	ENDDO
10746	ENDDO
10747	ELSE
10748	IF ( vari == 'H2SO4' ) to_be_resorted => g_h2so4_av
10749	IF ( vari == 'HNO3' ) to_be_resorted => g_hno3_av
10750	IF ( vari == 'NH3' ) to_be_resorted => g_nh3_av
10751	IF ( vari == 'OCNV' ) to_be_resorted => g_ocnv_av
10752	IF ( vari == 'OCSV' ) to_be_resorted => g_ocsv_av
10753	DO i = nxl, nxr
10754	DO j = nys, nyn
10755	DO k = nzb_do, nzt_do
10756	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10757	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10758	ENDDO
10759	ENDDO
10760	ENDDO
10761	ENDIF
10762
10763	IF ( mode == 'xy' ) grid = 'zu'
10764
10765	CASE ( 'LDSA' )
10766	IF ( av == 0 ) THEN
10767	DO i = nxl, nxr
10768	DO j = nys, nyn
10769	DO k = nzb_do, nzt_do
10770	temp_bin = 0.0_wp
10771	DO ib = 1, nbins_aerosol
10772	!
10773	!-- Diameter in micrometres
10774	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10775	!
10776	!-- Deposition factor: alveolar
10777	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10778	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10779	1.362_wp )**2 ) )
10780	!
10781	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10782	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10783	aerosol_number(ib)%conc(k,j,i)
10784	ENDDO
10785
10786	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10787	BTEST( wall_flags_0(k,j,i), 0 ) )
10788	ENDDO
10789	ENDDO
10790	ENDDO
10791	ELSE
10792	DO i = nxl, nxr
10793	DO j = nys, nyn
10794	DO k = nzb_do, nzt_do
10795	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
10796	BTEST( wall_flags_0(k,j,i), 0 ) )
10797	ENDDO
10798	ENDDO
10799	ENDDO
10800	ENDIF
10801
10802	IF ( mode == 'xy' ) grid = 'zu'
10803
10804	CASE ( 'N_UFP' )
10805
10806	IF ( av == 0 ) THEN
10807	DO i = nxl, nxr
10808	DO j = nys, nyn
10809	DO k = nzb_do, nzt_do
10810	temp_bin = 0.0_wp
10811	DO ib = 1, nbins_aerosol
10812	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10813	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10814	ENDIF
10815	ENDDO
10816	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10817	BTEST( wall_flags_0(k,j,i), 0 ) )
10818	ENDDO
10819	ENDDO
10820	ENDDO
10821	ELSE
10822	DO i = nxl, nxr
10823	DO j = nys, nyn
10824	DO k = nzb_do, nzt_do
10825	local_pf(i,j,k) = MERGE( nufp_av(k,j,i), REAL( fill_value, KIND = wp ), &
10826	BTEST( wall_flags_0(k,j,i), 0 ) )
10827	ENDDO
10828	ENDDO
10829	ENDDO
10830	ENDIF
10831
10832	IF ( mode == 'xy' ) grid = 'zu'
10833
10834	CASE ( 'Ntot' )
10835
10836	IF ( av == 0 ) THEN
10837	DO i = nxl, nxr
10838	DO j = nys, nyn
10839	DO k = nzb_do, nzt_do
10840	temp_bin = 0.0_wp
10841	DO ib = 1, nbins_aerosol
10842	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10843	ENDDO
10844	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10845	BTEST( wall_flags_0(k,j,i), 0 ) )
10846	ENDDO
10847	ENDDO
10848	ENDDO
10849	ELSE
10850	DO i = nxl, nxr
10851	DO j = nys, nyn
10852	DO k = nzb_do, nzt_do
10853	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
10854	BTEST( wall_flags_0(k,j,i), 0 ) )
10855	ENDDO
10856	ENDDO
10857	ENDDO
10858	ENDIF
10859
10860	IF ( mode == 'xy' ) grid = 'zu'
10861
10862	CASE ( 'PM0.1' )
10863	IF ( av == 0 ) THEN
10864	DO i = nxl, nxr
10865	DO j = nys, nyn
10866	DO k = nzb_do, nzt_do
10867	temp_bin = 0.0_wp
10868	DO ib = 1, nbins_aerosol
10869	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10870	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10871	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10872	ENDDO
10873	ENDIF
10874	ENDDO
10875	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10876	BTEST( wall_flags_0(k,j,i), 0 ) )
10877	ENDDO
10878	ENDDO
10879	ENDDO
10880	ELSE
10881	DO i = nxl, nxr
10882	DO j = nys, nyn
10883	DO k = nzb_do, nzt_do
10884	local_pf(i,j,k) = MERGE( pm01_av(k,j,i), REAL( fill_value, KIND = wp ), &
10885	BTEST( wall_flags_0(k,j,i), 0 ) )
10886	ENDDO
10887	ENDDO
10888	ENDDO
10889	ENDIF
10890
10891	IF ( mode == 'xy' ) grid = 'zu'
10892
10893	CASE ( 'PM2.5' )
10894	IF ( av == 0 ) THEN
10895	DO i = nxl, nxr
10896	DO j = nys, nyn
10897	DO k = nzb_do, nzt_do
10898	temp_bin = 0.0_wp
10899	DO ib = 1, nbins_aerosol
10900	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10901	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10902	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10903	ENDDO
10904	ENDIF
10905	ENDDO
10906	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10907	BTEST( wall_flags_0(k,j,i), 0 ) )
10908	ENDDO
10909	ENDDO
10910	ENDDO
10911	ELSE
10912	DO i = nxl, nxr
10913	DO j = nys, nyn
10914	DO k = nzb_do, nzt_do
10915	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
10916	BTEST( wall_flags_0(k,j,i), 0 ) )
10917	ENDDO
10918	ENDDO
10919	ENDDO
10920	ENDIF
10921
10922	IF ( mode == 'xy' ) grid = 'zu'
10923
10924	CASE ( 'PM10' )
10925	IF ( av == 0 ) THEN
10926	DO i = nxl, nxr
10927	DO j = nys, nyn
10928	DO k = nzb_do, nzt_do
10929	temp_bin = 0.0_wp
10930	DO ib = 1, nbins_aerosol
10931	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10932	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10933	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10934	ENDDO
10935	ENDIF
10936	ENDDO
10937	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10938	BTEST( wall_flags_0(k,j,i), 0 ) )
10939	ENDDO
10940	ENDDO
10941	ENDDO
10942	ELSE
10943	DO i = nxl, nxr
10944	DO j = nys, nyn
10945	DO k = nzb_do, nzt_do
10946	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
10947	BTEST( wall_flags_0(k,j,i), 0 ) )
10948	ENDDO
10949	ENDDO
10950	ENDDO
10951	ENDIF
10952
10953	IF ( mode == 'xy' ) grid = 'zu'
10954
10955	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10956	vari = TRIM( variable( 9:LEN( TRIM( variable ) ) - 3 ) ) ! 9: remove salsa_s_
10957	IF ( is_used( prtcl, vari ) ) THEN
10958	found_index = get_index( prtcl, vari )
10959	IF ( av == 0 ) THEN
10960	DO i = nxl, nxr
10961	DO j = nys, nyn
10962	DO k = nzb_do, nzt_do
10963	temp_bin = 0.0_wp
10964	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
10965	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10966	ENDDO
10967	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10968	BTEST( wall_flags_0(k,j,i), 0 ) )
10969	ENDDO
10970	ENDDO
10971	ENDDO
10972	ELSE
10973	IF ( vari == 'BC' ) to_be_resorted => s_bc_av
10974	IF ( vari == 'DU' ) to_be_resorted => s_du_av
10975	IF ( vari == 'NH' ) to_be_resorted => s_nh_av
10976	IF ( vari == 'NO' ) to_be_resorted => s_no_av
10977	IF ( vari == 'OC' ) to_be_resorted => s_oc_av
10978	IF ( vari == 'SO4' ) to_be_resorted => s_so4_av
10979	IF ( vari == 'SS' ) to_be_resorted => s_ss_av
10980	DO i = nxl, nxr
10981	DO j = nys, nyn
10982	DO k = nzb_do, nzt_do
10983	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10984	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10985	ENDDO
10986	ENDDO
10987	ENDDO
10988	ENDIF
10989	ELSE
10990	local_pf = fill_value
10991	ENDIF
10992
10993	IF ( mode == 'xy' ) grid = 'zu'
10994
10995	CASE ( 's_H2O' )
10996	found_index = get_index( prtcl, 'H2O' )
10997	IF ( av == 0 ) THEN
10998	DO i = nxl, nxr
10999	DO j = nys, nyn
11000	DO k = nzb_do, nzt_do
11001	temp_bin = 0.0_wp
11002	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
11003	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11004	ENDDO
11005	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11006	BTEST( wall_flags_0(k,j,i), 0 ) )
11007	ENDDO
11008	ENDDO
11009	ENDDO
11010	ELSE
11011	to_be_resorted => s_h2o_av
11012	DO i = nxl, nxr
11013	DO j = nys, nyn
11014	DO k = nzb_do, nzt_do
11015	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11016	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11017	ENDDO
11018	ENDDO
11019	ENDDO
11020	ENDIF
11021
11022	IF ( mode == 'xy' ) grid = 'zu'
11023
11024	CASE DEFAULT
11025	found = .FALSE.
11026	grid = 'none'
11027
11028	END SELECT
11029
11030	ENDIF
11031
11032	END SUBROUTINE salsa_data_output_2d
11033
11034	!------------------------------------------------------------------------------!
11035	!
11036	! Description:
11037	! ------------
11038	!> Subroutine defining 3D output variables
11039	!------------------------------------------------------------------------------!
11040	SUBROUTINE salsa_data_output_3d( av, variable, found, local_pf, nzb_do, nzt_do )
11041
11042	USE indices
11043
11044	USE kinds
11045
11046
11047	IMPLICIT NONE
11048
11049	CHARACTER(LEN=*), INTENT(in) :: variable !<
11050
11051	INTEGER(iwp) :: av !<
11052	INTEGER(iwp) :: char_to_int !< for converting character to integer
11053	INTEGER(iwp) :: found_index !< index of a chemical compound
11054	INTEGER(iwp) :: ib !< running index: size bins
11055	INTEGER(iwp) :: ic !< running index: mass bins
11056	INTEGER(iwp) :: i !<
11057	INTEGER(iwp) :: j !<
11058	INTEGER(iwp) :: k !<
11059	INTEGER(iwp) :: nzb_do !<
11060	INTEGER(iwp) :: nzt_do !<
11061
11062	LOGICAL :: found !<
11063
11064	REAL(wp) :: df !< For calculating LDSA: fraction of particles
11065	!< depositing in the alveolar (or tracheobronchial)
11066	!< region of the lung. Depends on the particle size
11067	REAL(wp) :: mean_d !< Particle diameter in micrometres
11068	REAL(wp) :: temp_bin !< temporary array for calculating output variables
11069
11070	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< local
11071
11072	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
11073
11074	found = .TRUE.
11075	temp_bin = 0.0_wp
11076
11077	IF ( variable(7:11) == 'N_bin' ) THEN
11078	READ( variable(12:),* ) char_to_int
11079	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11080
11081	ib = char_to_int
11082	IF ( av == 0 ) THEN
11083	DO i = nxl, nxr
11084	DO j = nys, nyn
11085	DO k = nzb_do, nzt_do
11086	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
11087	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11088	ENDDO
11089	ENDDO
11090	ENDDO
11091	ELSE
11092	DO i = nxl, nxr
11093	DO j = nys, nyn
11094	DO k = nzb_do, nzt_do
11095	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
11096	BTEST( wall_flags_0(k,j,i), 0 ) )
11097	ENDDO
11098	ENDDO
11099	ENDDO
11100	ENDIF
11101	ENDIF
11102
11103	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
11104	READ( variable(12:),* ) char_to_int
11105	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11106
11107	ib = char_to_int
11108	IF ( av == 0 ) THEN
11109	DO i = nxl, nxr
11110	DO j = nys, nyn
11111	DO k = nzb_do, nzt_do
11112	temp_bin = 0.0_wp
11113	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
11114	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11115	ENDDO
11116	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11117	BTEST( wall_flags_0(k,j,i), 0 ) )
11118	ENDDO
11119	ENDDO
11120	ENDDO
11121	ELSE
11122	DO i = nxl, nxr
11123	DO j = nys, nyn
11124	DO k = nzb_do, nzt_do
11125	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
11126	BTEST( wall_flags_0(k,j,i), 0 ) )
11127	ENDDO
11128	ENDDO
11129	ENDDO
11130	ENDIF
11131	ENDIF
11132
11133	ELSE
11134	SELECT CASE ( TRIM( variable(7:) ) )
11135
11136	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
11137	IF ( av == 0 ) THEN
11138	IF ( TRIM( variable(7:) ) == 'g_H2SO4') found_index = 1
11139	IF ( TRIM( variable(7:) ) == 'g_HNO3') found_index = 2
11140	IF ( TRIM( variable(7:) ) == 'g_NH3') found_index = 3
11141	IF ( TRIM( variable(7:) ) == 'g_OCNV') found_index = 4
11142	IF ( TRIM( variable(7:) ) == 'g_OCSV') found_index = 5
11143
11144	DO i = nxl, nxr
11145	DO j = nys, nyn
11146	DO k = nzb_do, nzt_do
11147	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
11148	REAL( fill_value, KIND = wp ), &
11149	BTEST( wall_flags_0(k,j,i), 0 ) )
11150	ENDDO
11151	ENDDO
11152	ENDDO
11153	ELSE
11154	!
11155	!-- 9: remove salsa_g_ from the beginning
11156	IF ( TRIM( variable(9:) ) == 'H2SO4' ) to_be_resorted => g_h2so4_av
11157	IF ( TRIM( variable(9:) ) == 'HNO3' ) to_be_resorted => g_hno3_av
11158	IF ( TRIM( variable(9:) ) == 'NH3' ) to_be_resorted => g_nh3_av
11159	IF ( TRIM( variable(9:) ) == 'OCNV' ) to_be_resorted => g_ocnv_av
11160	IF ( TRIM( variable(9:) ) == 'OCSV' ) to_be_resorted => g_ocsv_av
11161	DO i = nxl, nxr
11162	DO j = nys, nyn
11163	DO k = nzb_do, nzt_do
11164	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11165	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11166	ENDDO
11167	ENDDO
11168	ENDDO
11169	ENDIF
11170
11171	CASE ( 'LDSA' )
11172	IF ( av == 0 ) THEN
11173	DO i = nxl, nxr
11174	DO j = nys, nyn
11175	DO k = nzb_do, nzt_do
11176	temp_bin = 0.0_wp
11177	DO ib = 1, nbins_aerosol
11178	!
11179	!-- Diameter in micrometres
11180	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
11181	!
11182	!-- Deposition factor: alveolar
11183	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
11184	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
11185	1.362_wp )**2 ) )
11186	!
11187	!-- Lung-deposited surface area LDSA (units mum2/cm3)
11188	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
11189	aerosol_number(ib)%conc(k,j,i)
11190	ENDDO
11191	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11192	BTEST( wall_flags_0(k,j,i), 0 ) )
11193	ENDDO
11194	ENDDO
11195	ENDDO
11196	ELSE
11197	DO i = nxl, nxr
11198	DO j = nys, nyn
11199	DO k = nzb_do, nzt_do
11200	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
11201	BTEST( wall_flags_0(k,j,i), 0 ) )
11202	ENDDO
11203	ENDDO
11204	ENDDO
11205	ENDIF
11206
11207	CASE ( 'N_UFP' )
11208	IF ( av == 0 ) THEN
11209	DO i = nxl, nxr
11210	DO j = nys, nyn
11211	DO k = nzb_do, nzt_do
11212	temp_bin = 0.0_wp
11213	DO ib = 1, nbins_aerosol
11214	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11215	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11216	ENDIF
11217	ENDDO
11218	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11219	BTEST( wall_flags_0(k,j,i), 0 ) )
11220	ENDDO
11221	ENDDO
11222	ENDDO
11223	ELSE
11224	DO i = nxl, nxr
11225	DO j = nys, nyn
11226	DO k = nzb_do, nzt_do
11227	local_pf(i,j,k) = MERGE( nufp_av(k,j,i), REAL( fill_value, KIND = wp ), &
11228	BTEST( wall_flags_0(k,j,i), 0 ) )
11229	ENDDO
11230	ENDDO
11231	ENDDO
11232	ENDIF
11233
11234	CASE ( 'Ntot' )
11235	IF ( av == 0 ) THEN
11236	DO i = nxl, nxr
11237	DO j = nys, nyn
11238	DO k = nzb_do, nzt_do
11239	temp_bin = 0.0_wp
11240	DO ib = 1, nbins_aerosol
11241	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11242	ENDDO
11243	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11244	BTEST( wall_flags_0(k,j,i), 0 ) )
11245	ENDDO
11246	ENDDO
11247	ENDDO
11248	ELSE
11249	DO i = nxl, nxr
11250	DO j = nys, nyn
11251	DO k = nzb_do, nzt_do
11252	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
11253	BTEST( wall_flags_0(k,j,i), 0 ) )
11254	ENDDO
11255	ENDDO
11256	ENDDO
11257	ENDIF
11258
11259	CASE ( 'PM0.1' )
11260	IF ( av == 0 ) THEN
11261	DO i = nxl, nxr
11262	DO j = nys, nyn
11263	DO k = nzb_do, nzt_do
11264	temp_bin = 0.0_wp
11265	DO ib = 1, nbins_aerosol
11266	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11267	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11268	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11269	ENDDO
11270	ENDIF
11271	ENDDO
11272	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11273	BTEST( wall_flags_0(k,j,i), 0 ) )
11274	ENDDO
11275	ENDDO
11276	ENDDO
11277	ELSE
11278	DO i = nxl, nxr
11279	DO j = nys, nyn
11280	DO k = nzb_do, nzt_do
11281	local_pf(i,j,k) = MERGE( pm01_av(k,j,i), REAL( fill_value, KIND = wp ), &
11282	BTEST( wall_flags_0(k,j,i), 0 ) )
11283	ENDDO
11284	ENDDO
11285	ENDDO
11286	ENDIF
11287
11288	CASE ( 'PM2.5' )
11289	IF ( av == 0 ) THEN
11290	DO i = nxl, nxr
11291	DO j = nys, nyn
11292	DO k = nzb_do, nzt_do
11293	temp_bin = 0.0_wp
11294	DO ib = 1, nbins_aerosol
11295	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
11296	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11297	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11298	ENDDO
11299	ENDIF
11300	ENDDO
11301	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11302	BTEST( wall_flags_0(k,j,i), 0 ) )
11303	ENDDO
11304	ENDDO
11305	ENDDO
11306	ELSE
11307	DO i = nxl, nxr
11308	DO j = nys, nyn
11309	DO k = nzb_do, nzt_do
11310	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
11311	BTEST( wall_flags_0(k,j,i), 0 ) )
11312	ENDDO
11313	ENDDO
11314	ENDDO
11315	ENDIF
11316
11317	CASE ( 'PM10' )
11318	IF ( av == 0 ) THEN
11319	DO i = nxl, nxr
11320	DO j = nys, nyn
11321	DO k = nzb_do, nzt_do
11322	temp_bin = 0.0_wp
11323	DO ib = 1, nbins_aerosol
11324	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
11325	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11326	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11327	ENDDO
11328	ENDIF
11329	ENDDO
11330	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11331	BTEST( wall_flags_0(k,j,i), 0 ) )
11332	ENDDO
11333	ENDDO
11334	ENDDO
11335	ELSE
11336	DO i = nxl, nxr
11337	DO j = nys, nyn
11338	DO k = nzb_do, nzt_do
11339	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
11340	BTEST( wall_flags_0(k,j,i), 0 ) )
11341	ENDDO
11342	ENDDO
11343	ENDDO
11344	ENDIF
11345
11346	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
11347	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
11348	found_index = get_index( prtcl, TRIM( variable(9:) ) )
11349	IF ( av == 0 ) THEN
11350	DO i = nxl, nxr
11351	DO j = nys, nyn
11352	DO k = nzb_do, nzt_do
11353	temp_bin = 0.0_wp
11354	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11355	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11356	ENDDO
11357	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11358	BTEST( wall_flags_0(k,j,i), 0 ) )
11359	ENDDO
11360	ENDDO
11361	ENDDO
11362	ELSE
11363	!
11364	!-- 9: remove salsa_s_ from the beginning
11365	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
11366	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
11367	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
11368	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
11369	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
11370	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
11371	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
11372	DO i = nxl, nxr
11373	DO j = nys, nyn
11374	DO k = nzb_do, nzt_do
11375	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11376	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11377	ENDDO
11378	ENDDO
11379	ENDDO
11380	ENDIF
11381	ENDIF
11382
11383	CASE ( 's_H2O' )
11384	found_index = get_index( prtcl, 'H2O' )
11385	IF ( av == 0 ) THEN
11386	DO i = nxl, nxr
11387	DO j = nys, nyn
11388	DO k = nzb_do, nzt_do
11389	temp_bin = 0.0_wp
11390	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11391	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11392	ENDDO
11393	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11394	BTEST( wall_flags_0(k,j,i), 0 ) )
11395	ENDDO
11396	ENDDO
11397	ENDDO
11398	ELSE
11399	to_be_resorted => s_h2o_av
11400	DO i = nxl, nxr
11401	DO j = nys, nyn
11402	DO k = nzb_do, nzt_do
11403	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11404	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11405	ENDDO
11406	ENDDO
11407	ENDDO
11408	ENDIF
11409
11410	CASE DEFAULT
11411	found = .FALSE.
11412
11413	END SELECT
11414	ENDIF
11415
11416	END SUBROUTINE salsa_data_output_3d
11417
11418	!------------------------------------------------------------------------------!
11419	!
11420	! Description:
11421	! ------------
11422	!> Subroutine defining mask output variables
11423	!------------------------------------------------------------------------------!
11424	SUBROUTINE salsa_data_output_mask( av, variable, found, local_pf, mid )
11425
11426	USE arrays_3d, &
11427	ONLY: tend
11428
11429	USE control_parameters, &
11430	ONLY: mask_i, mask_j, mask_k, mask_size_l, mask_surface, nz_do3d
11431
11432	IMPLICIT NONE
11433
11434	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grid
11435	CHARACTER(LEN=*) :: variable !<
11436	CHARACTER(LEN=7) :: vari !< trimmed format of variable
11437
11438	INTEGER(iwp) :: av !<
11439	INTEGER(iwp) :: char_to_int !< for converting character to integer
11440	INTEGER(iwp) :: found_index !< index of a chemical compound
11441	INTEGER(iwp) :: ib !< loop index for aerosol size number bins
11442	INTEGER(iwp) :: ic !< loop index for chemical components
11443	INTEGER(iwp) :: i !< loop index in x-direction
11444	INTEGER(iwp) :: j !< loop index in y-direction
11445	INTEGER(iwp) :: k !< loop index in z-direction
11446	INTEGER(iwp) :: im !< loop index for masked variables
11447	INTEGER(iwp) :: jm !< loop index for masked variables
11448	INTEGER(iwp) :: kk !< loop index for masked output in z-direction
11449	INTEGER(iwp) :: mid !< masked output running index
11450	INTEGER(iwp) :: ktt !< k index of highest terrain surface
11451
11452	LOGICAL :: found !<
11453	LOGICAL :: resorted !<
11454
11455	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
11456	!< (or tracheobronchial) region of the lung. Depends on the particle size
11457	REAL(wp) :: mean_d !< Particle diameter in micrometres
11458	REAL(wp) :: temp_bin !< temporary array for calculating output variables
11459
11460	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: local_pf !<
11461
11462	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg), TARGET :: temp_array !< temporary array
11463
11464	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
11465
11466	found = .TRUE.
11467	resorted = .FALSE.
11468	grid = 's'
11469	temp_array = 0.0_wp
11470	temp_bin = 0.0_wp
11471
11472	IF ( variable(7:11) == 'N_bin' ) THEN
11473	READ( variable(12:),* ) char_to_int
11474	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11475	ib = char_to_int
11476	IF ( av == 0 ) THEN
11477	IF ( .NOT. mask_surface(mid) ) THEN
11478	DO i = 1, mask_size_l(mid,1)
11479	DO j = 1, mask_size_l(mid,2)
11480	DO k = 1, mask_size_l(mid,3)
11481	local_pf(i,j,k) = aerosol_number(ib)%conc( mask_k(mid,k), mask_j(mid,j), &
11482	mask_i(mid,i) )
11483	ENDDO
11484	ENDDO
11485	ENDDO
11486	ELSE
11487	DO i = 1, mask_size_l(mid,1)
11488	DO j = 1, mask_size_l(mid,2)
11489	!
11490	!-- Get k index of the highest terraing surface
11491	im = mask_i(mid,i)
11492	jm = mask_j(mid,j)
11493	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11494	DO k = 1, mask_size_l(mid,3)
11495	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11496	!
11497	!-- Set value if not in building
11498	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11499	local_pf(i,j,k) = fill_value
11500	ELSE
11501	local_pf(i,j,k) = aerosol_number(ib)%conc(kk,jm,im)
11502	ENDIF
11503	ENDDO
11504	ENDDO
11505	ENDDO
11506	ENDIF
11507	resorted = .TRUE.
11508	ELSE
11509	temp_array = nbins_av(:,:,:,ib)
11510	to_be_resorted => temp_array
11511	ENDIF
11512	ENDIF
11513
11514	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
11515
11516	READ( variable(12:),* ) char_to_int
11517	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11518
11519	ib = char_to_int
11520	IF ( av == 0 ) THEN
11521	DO i = nxl, nxr
11522	DO j = nys, nyn
11523	DO k = nzb, nz_do3d
11524	temp_bin = 0.0_wp
11525	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
11526	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11527	ENDDO
11528	tend(k,j,i) = temp_bin
11529	ENDDO
11530	ENDDO
11531	ENDDO
11532	IF ( .NOT. mask_surface(mid) ) THEN
11533	DO i = 1, mask_size_l(mid,1)
11534	DO j = 1, mask_size_l(mid,2)
11535	DO k = 1, mask_size_l(mid,3)
11536	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11537	ENDDO
11538	ENDDO
11539	ENDDO
11540	ELSE
11541	DO i = 1, mask_size_l(mid,1)
11542	DO j = 1, mask_size_l(mid,2)
11543	!
11544	!-- Get k index of the highest terraing surface
11545	im = mask_i(mid,i)
11546	jm = mask_j(mid,j)
11547	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11548	DO k = 1, mask_size_l(mid,3)
11549	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11550	!
11551	!-- Set value if not in building
11552	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11553	local_pf(i,j,k) = fill_value
11554	ELSE
11555	local_pf(i,j,k) = tend(kk,jm,im)
11556	ENDIF
11557	ENDDO
11558	ENDDO
11559	ENDDO
11560	ENDIF
11561	resorted = .TRUE.
11562	ELSE
11563	temp_array = mbins_av(:,:,:,ib)
11564	to_be_resorted => temp_array
11565	ENDIF
11566	ENDIF
11567
11568	ELSE
11569	SELECT CASE ( TRIM( variable(7:) ) )
11570
11571	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
11572	vari = TRIM( variable(7:) )
11573	IF ( av == 0 ) THEN
11574	IF ( vari == 'g_H2SO4') to_be_resorted => salsa_gas(1)%conc
11575	IF ( vari == 'g_HNO3') to_be_resorted => salsa_gas(2)%conc
11576	IF ( vari == 'g_NH3') to_be_resorted => salsa_gas(3)%conc
11577	IF ( vari == 'g_OCNV') to_be_resorted => salsa_gas(4)%conc
11578	IF ( vari == 'g_OCSV') to_be_resorted => salsa_gas(5)%conc
11579	ELSE
11580	IF ( vari == 'g_H2SO4') to_be_resorted => g_h2so4_av
11581	IF ( vari == 'g_HNO3') to_be_resorted => g_hno3_av
11582	IF ( vari == 'g_NH3') to_be_resorted => g_nh3_av
11583	IF ( vari == 'g_OCNV') to_be_resorted => g_ocnv_av
11584	IF ( vari == 'g_OCSV') to_be_resorted => g_ocsv_av
11585	ENDIF
11586
11587	CASE ( 'LDSA' )
11588	IF ( av == 0 ) THEN
11589	DO i = nxl, nxr
11590	DO j = nys, nyn
11591	DO k = nzb, nz_do3d
11592	temp_bin = 0.0_wp
11593	DO ib = 1, nbins_aerosol
11594	!
11595	!-- Diameter in micrometres
11596	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
11597	!
11598	!-- Deposition factor: alveolar
11599	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
11600	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
11601	1.362_wp )**2 ) )
11602	!
11603	!-- Lung-deposited surface area LDSA (units mum2/cm3)
11604	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
11605	aerosol_number(ib)%conc(k,j,i)
11606	ENDDO
11607	tend(k,j,i) = temp_bin
11608	ENDDO
11609	ENDDO
11610	ENDDO
11611	IF ( .NOT. mask_surface(mid) ) THEN
11612	DO i = 1, mask_size_l(mid,1)
11613	DO j = 1, mask_size_l(mid,2)
11614	DO k = 1, mask_size_l(mid,3)
11615	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11616	ENDDO
11617	ENDDO
11618	ENDDO
11619	ELSE
11620	DO i = 1, mask_size_l(mid,1)
11621	DO j = 1, mask_size_l(mid,2)
11622	!
11623	!-- Get k index of the highest terraing surface
11624	im = mask_i(mid,i)
11625	jm = mask_j(mid,j)
11626	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11627	DO k = 1, mask_size_l(mid,3)
11628	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11629	!
11630	!-- Set value if not in building
11631	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11632	local_pf(i,j,k) = fill_value
11633	ELSE
11634	local_pf(i,j,k) = tend(kk,jm,im)
11635	ENDIF
11636	ENDDO
11637	ENDDO
11638	ENDDO
11639	ENDIF
11640	resorted = .TRUE.
11641	ELSE
11642	to_be_resorted => ldsa_av
11643	ENDIF
11644
11645	CASE ( 'N_UFP' )
11646	IF ( av == 0 ) THEN
11647	DO i = nxl, nxr
11648	DO j = nys, nyn
11649	DO k = nzb, nz_do3d
11650	temp_bin = 0.0_wp
11651	DO ib = 1, nbins_aerosol
11652	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11653	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11654	ENDIF
11655	ENDDO
11656	tend(k,j,i) = temp_bin
11657	ENDDO
11658	ENDDO
11659	ENDDO
11660	IF ( .NOT. mask_surface(mid) ) THEN
11661	DO i = 1, mask_size_l(mid,1)
11662	DO j = 1, mask_size_l(mid,2)
11663	DO k = 1, mask_size_l(mid,3)
11664	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11665	ENDDO
11666	ENDDO
11667	ENDDO
11668	ELSE
11669	DO i = 1, mask_size_l(mid,1)
11670	DO j = 1, mask_size_l(mid,2)
11671	!
11672	!-- Get k index of the highest terraing surface
11673	im = mask_i(mid,i)
11674	jm = mask_j(mid,j)
11675	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11676	DO k = 1, mask_size_l(mid,3)
11677	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11678	!
11679	!-- Set value if not in building
11680	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11681	local_pf(i,j,k) = fill_value
11682	ELSE
11683	local_pf(i,j,k) = tend(kk,jm,im)
11684	ENDIF
11685	ENDDO
11686	ENDDO
11687	ENDDO
11688	ENDIF
11689	resorted = .TRUE.
11690	ELSE
11691	to_be_resorted => nufp_av
11692	ENDIF
11693
11694	CASE ( 'Ntot' )
11695	IF ( av == 0 ) THEN
11696	DO i = nxl, nxr
11697	DO j = nys, nyn
11698	DO k = nzb, nz_do3d
11699	temp_bin = 0.0_wp
11700	DO ib = 1, nbins_aerosol
11701	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11702	ENDDO
11703	tend(k,j,i) = temp_bin
11704	ENDDO
11705	ENDDO
11706	ENDDO
11707	IF ( .NOT. mask_surface(mid) ) THEN
11708	DO i = 1, mask_size_l(mid,1)
11709	DO j = 1, mask_size_l(mid,2)
11710	DO k = 1, mask_size_l(mid,3)
11711	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11712	ENDDO
11713	ENDDO
11714	ENDDO
11715	ELSE
11716	DO i = 1, mask_size_l(mid,1)
11717	DO j = 1, mask_size_l(mid,2)
11718	!
11719	!-- Get k index of the highest terraing surface
11720	im = mask_i(mid,i)
11721	jm = mask_j(mid,j)
11722	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11723	DO k = 1, mask_size_l(mid,3)
11724	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11725	!
11726	!-- Set value if not in building
11727	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11728	local_pf(i,j,k) = fill_value
11729	ELSE
11730	local_pf(i,j,k) = tend(kk,jm,im)
11731	ENDIF
11732	ENDDO
11733	ENDDO
11734	ENDDO
11735	ENDIF
11736	resorted = .TRUE.
11737	ELSE
11738	to_be_resorted => ntot_av
11739	ENDIF
11740
11741	CASE ( 'PM0.1' )
11742	IF ( av == 0 ) THEN
11743	DO i = nxl, nxr
11744	DO j = nys, nyn
11745	DO k = nzb, nz_do3d
11746	temp_bin = 0.0_wp
11747	DO ib = 1, nbins_aerosol
11748	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11749	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11750	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11751	ENDDO
11752	ENDIF
11753	ENDDO
11754	tend(k,j,i) = temp_bin
11755	ENDDO
11756	ENDDO
11757	ENDDO
11758	IF ( .NOT. mask_surface(mid) ) THEN
11759	DO i = 1, mask_size_l(mid,1)
11760	DO j = 1, mask_size_l(mid,2)
11761	DO k = 1, mask_size_l(mid,3)
11762	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11763	ENDDO
11764	ENDDO
11765	ENDDO
11766	ELSE
11767	DO i = 1, mask_size_l(mid,1)
11768	DO j = 1, mask_size_l(mid,2)
11769	!
11770	!-- Get k index of the highest terraing surface
11771	im = mask_i(mid,i)
11772	jm = mask_j(mid,j)
11773	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11774	DO k = 1, mask_size_l(mid,3)
11775	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11776	!
11777	!-- Set value if not in building
11778	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11779	local_pf(i,j,k) = fill_value
11780	ELSE
11781	local_pf(i,j,k) = tend(kk,jm,im)
11782	ENDIF
11783	ENDDO
11784	ENDDO
11785	ENDDO
11786	ENDIF
11787	resorted = .TRUE.
11788	ELSE
11789	to_be_resorted => pm01_av
11790	ENDIF
11791
11792	CASE ( 'PM2.5' )
11793	IF ( av == 0 ) THEN
11794	DO i = nxl, nxr
11795	DO j = nys, nyn
11796	DO k = nzb, nz_do3d
11797	temp_bin = 0.0_wp
11798	DO ib = 1, nbins_aerosol
11799	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
11800	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11801	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11802	ENDDO
11803	ENDIF
11804	ENDDO
11805	tend(k,j,i) = temp_bin
11806	ENDDO
11807	ENDDO
11808	ENDDO
11809	IF ( .NOT. mask_surface(mid) ) THEN
11810	DO i = 1, mask_size_l(mid,1)
11811	DO j = 1, mask_size_l(mid,2)
11812	DO k = 1, mask_size_l(mid,3)
11813	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11814	ENDDO
11815	ENDDO
11816	ENDDO
11817	ELSE
11818	DO i = 1, mask_size_l(mid,1)
11819	DO j = 1, mask_size_l(mid,2)
11820	!
11821	!-- Get k index of the highest terraing surface
11822	im = mask_i(mid,i)
11823	jm = mask_j(mid,j)
11824	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11825	DO k = 1, mask_size_l(mid,3)
11826	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11827	!
11828	!-- Set value if not in building
11829	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11830	local_pf(i,j,k) = fill_value
11831	ELSE
11832	local_pf(i,j,k) = tend(kk,jm,im)
11833	ENDIF
11834	ENDDO
11835	ENDDO
11836	ENDDO
11837	ENDIF
11838	resorted = .TRUE.
11839	ELSE
11840	to_be_resorted => pm25_av
11841	ENDIF
11842
11843	CASE ( 'PM10' )
11844	IF ( av == 0 ) THEN
11845	DO i = nxl, nxr
11846	DO j = nys, nyn
11847	DO k = nzb, nz_do3d
11848	temp_bin = 0.0_wp
11849	DO ib = 1, nbins_aerosol
11850	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
11851	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11852	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11853	ENDDO
11854	ENDIF
11855	ENDDO
11856	tend(k,j,i) = temp_bin
11857	ENDDO
11858	ENDDO
11859	ENDDO
11860	IF ( .NOT. mask_surface(mid) ) THEN
11861	DO i = 1, mask_size_l(mid,1)
11862	DO j = 1, mask_size_l(mid,2)
11863	DO k = 1, mask_size_l(mid,3)
11864	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11865	ENDDO
11866	ENDDO
11867	ENDDO
11868	ELSE
11869	DO i = 1, mask_size_l(mid,1)
11870	DO j = 1, mask_size_l(mid,2)
11871	!
11872	!-- Get k index of the highest terraing surface
11873	im = mask_i(mid,i)
11874	jm = mask_j(mid,j)
11875	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11876	DO k = 1, mask_size_l(mid,3)
11877	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11878	!
11879	!-- Set value if not in building
11880	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11881	local_pf(i,j,k) = fill_value
11882	ELSE
11883	local_pf(i,j,k) = tend(kk,jm,im)
11884	ENDIF
11885	ENDDO
11886	ENDDO
11887	ENDDO
11888	ENDIF
11889	resorted = .TRUE.
11890	ELSE
11891	to_be_resorted => pm10_av
11892	ENDIF
11893
11894	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
11895	IF ( av == 0 ) THEN
11896	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
11897	found_index = get_index( prtcl, TRIM( variable(3:) ) )
11898	DO i = nxl, nxr
11899	DO j = nys, nyn
11900	DO k = nzb, nz_do3d
11901	temp_bin = 0.0_wp
11902	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11903	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11904	ENDDO
11905	tend(k,j,i) = temp_bin
11906	ENDDO
11907	ENDDO
11908	ENDDO
11909	ELSE
11910	tend = 0.0_wp
11911	ENDIF
11912	IF ( .NOT. mask_surface(mid) ) THEN
11913	DO i = 1, mask_size_l(mid,1)
11914	DO j = 1, mask_size_l(mid,2)
11915	DO k = 1, mask_size_l(mid,3)
11916	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11917	ENDDO
11918	ENDDO
11919	ENDDO
11920	ELSE
11921	DO i = 1, mask_size_l(mid,1)
11922	DO j = 1, mask_size_l(mid,2)
11923	!
11924	!-- Get k index of the highest terraing surface
11925	im = mask_i(mid,i)
11926	jm = mask_j(mid,j)
11927	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11928	DO k = 1, mask_size_l(mid,3)
11929	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11930	!
11931	!-- Set value if not in building
11932	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11933	local_pf(i,j,k) = fill_value
11934	ELSE
11935	local_pf(i,j,k) = tend(kk,jm,im)
11936	ENDIF
11937	ENDDO
11938	ENDDO
11939	ENDDO
11940	ENDIF
11941	resorted = .TRUE.
11942	ELSE
11943	!
11944	!-- 9: remove salsa_s_ from the beginning
11945	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
11946	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
11947	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
11948	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
11949	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
11950	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
11951	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
11952	ENDIF
11953
11954	CASE ( 's_H2O' )
11955	IF ( av == 0 ) THEN
11956	found_index = get_index( prtcl, 'H2O' )
11957	DO i = nxl, nxr
11958	DO j = nys, nyn
11959	DO k = nzb, nz_do3d
11960	temp_bin = 0.0_wp
11961	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11962	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11963	ENDDO
11964	tend(k,j,i) = temp_bin
11965	ENDDO
11966	ENDDO
11967	ENDDO
11968	IF ( .NOT. mask_surface(mid) ) THEN
11969	DO i = 1, mask_size_l(mid,1)
11970	DO j = 1, mask_size_l(mid,2)
11971	DO k = 1, mask_size_l(mid,3)
11972	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11973	ENDDO
11974	ENDDO
11975	ENDDO
11976	ELSE
11977	DO i = 1, mask_size_l(mid,1)
11978	DO j = 1, mask_size_l(mid,2)
11979	!
11980	!-- Get k index of the highest terraing surface
11981	im = mask_i(mid,i)
11982	jm = mask_j(mid,j)
11983	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11984	DO k = 1, mask_size_l(mid,3)
11985	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11986	!
11987	!-- Set value if not in building
11988	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11989	local_pf(i,j,k) = fill_value
11990	ELSE
11991	local_pf(i,j,k) = tend(kk,jm,im)
11992	ENDIF
11993	ENDDO
11994	ENDDO
11995	ENDDO
11996	ENDIF
11997	resorted = .TRUE.
11998	ELSE
11999	to_be_resorted => s_h2o_av
12000	ENDIF
12001
12002	CASE DEFAULT
12003	found = .FALSE.
12004
12005	END SELECT
12006	ENDIF
12007
12008	IF ( found .AND. .NOT. resorted ) THEN
12009	IF ( .NOT. mask_surface(mid) ) THEN
12010	!
12011	!-- Default masked output
12012	DO i = 1, mask_size_l(mid,1)
12013	DO j = 1, mask_size_l(mid,2)
12014	DO k = 1, mask_size_l(mid,3)
12015	local_pf(i,j,k) = to_be_resorted( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
12016	ENDDO
12017	ENDDO
12018	ENDDO
12019	ELSE
12020	!
12021	!-- Terrain-following masked output
12022	DO i = 1, mask_size_l(mid,1)
12023	DO j = 1, mask_size_l(mid,2)
12024	!-- Get k index of the highest terraing surface
12025	im = mask_i(mid,i)
12026	jm = mask_j(mid,j)
12027	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
12028	DO k = 1, mask_size_l(mid,3)
12029	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
12030	!-- Set value if not in building
12031	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
12032	local_pf(i,j,k) = fill_value
12033	ELSE
12034	local_pf(i,j,k) = to_be_resorted(kk,jm,im)
12035	ENDIF
12036	ENDDO
12037	ENDDO
12038	ENDDO
12039	ENDIF
12040	ENDIF
12041
12042	END SUBROUTINE salsa_data_output_mask
12043
12044	!------------------------------------------------------------------------------!
12045	! Description:
12046	! ------------
12047	!> Creates index tables for different (aerosol) components
12048	!------------------------------------------------------------------------------!
12049	SUBROUTINE component_index_constructor( self, ncomp, nlist, listcomp )
12050
12051	IMPLICIT NONE
12052
12053	INTEGER(iwp) :: ii !<
12054	INTEGER(iwp) :: jj !<
12055
12056	INTEGER(iwp), INTENT(in) :: nlist ! < Maximum number of components
12057
12058	INTEGER(iwp), INTENT(inout) :: ncomp !< Number of components
12059
12060	CHARACTER(LEN=3), INTENT(in) :: listcomp(nlist) !< List cof component names
12061
12062	TYPE(component_index), INTENT(inout) :: self !< Object containing the indices of different
12063	!< aerosol components
12064
12065	ncomp = 0
12066
12067	DO WHILE ( listcomp(ncomp+1) /= ' ' .AND. ncomp < nlist )
12068	ncomp = ncomp + 1
12069	ENDDO
12070
12071	self%ncomp = ncomp
12072	ALLOCATE( self%ind(ncomp), self%comp(ncomp) )
12073
12074	DO ii = 1, ncomp
12075	self%ind(ii) = ii
12076	ENDDO
12077
12078	jj = 1
12079	DO ii = 1, nlist
12080	IF ( listcomp(ii) == '') CYCLE
12081	self%comp(jj) = listcomp(ii)
12082	jj = jj + 1
12083	ENDDO
12084
12085	END SUBROUTINE component_index_constructor
12086
12087	!------------------------------------------------------------------------------!
12088	! Description:
12089	! ------------
12090	!> Gives the index of a component in the component list
12091	!------------------------------------------------------------------------------!
12092	INTEGER FUNCTION get_index( self, incomp )
12093
12094	IMPLICIT NONE
12095
12096	CHARACTER(LEN=*), INTENT(in) :: incomp !< Component name
12097
12098	INTEGER(iwp) :: ii !< index
12099
12100	TYPE(component_index), INTENT(in) :: self !< Object containing the indices of different
12101	!< aerosol components
12102	IF ( ANY( self%comp == incomp ) ) THEN
12103	ii = 1
12104	DO WHILE ( (self%comp(ii) /= incomp) )
12105	ii = ii + 1
12106	ENDDO
12107	get_index = ii
12108	ELSEIF ( incomp == 'H2O' ) THEN
12109	get_index = self%ncomp + 1
12110	ELSE
12111	WRITE( message_string, * ) 'Incorrect component name given!'
12112	CALL message( 'get_index', 'PA0591', 1, 2, 0, 6, 0 )
12113	ENDIF
12114
12115	END FUNCTION get_index
12116
12117	!------------------------------------------------------------------------------!
12118	! Description:
12119	! ------------
12120	!> Tells if the (aerosol) component is being used in the simulation
12121	!------------------------------------------------------------------------------!
12122	LOGICAL FUNCTION is_used( self, icomp )
12123
12124	IMPLICIT NONE
12125
12126	CHARACTER(LEN=*), INTENT(in) :: icomp !< Component name
12127
12128	TYPE(component_index), INTENT(in) :: self !< Object containing the indices of different
12129	!< aerosol components
12130
12131	IF ( ANY(self%comp == icomp) ) THEN
12132	is_used = .TRUE.
12133	ELSE
12134	is_used = .FALSE.
12135	ENDIF
12136
12137	END FUNCTION
12138
12139	!------------------------------------------------------------------------------!
12140	! Description:
12141	! ------------
12142	!> Set the lateral and top boundary conditions in case the PALM domain is
12143	!> nested offline in a mesoscale model. Further, average boundary data and
12144	!> determine mean profiles, further used for correct damping in the sponge
12145	!> layer.
12146	!------------------------------------------------------------------------------!
12147	SUBROUTINE salsa_nesting_offl_bc
12148
12149	USE control_parameters, &
12150	ONLY: bc_dirichlet_l, bc_dirichlet_n, bc_dirichlet_r, bc_dirichlet_s, dt_3d, &
12151	time_since_reference_point
12152
12153	USE indices, &
12154	ONLY: nbgp, nxl, nxr, nyn, nys, nzb, nzt
12155
12156	IMPLICIT NONE
12157
12158	INTEGER(iwp) :: i !< running index x-direction
12159	INTEGER(iwp) :: ib !< running index for aerosol number bins
12160	INTEGER(iwp) :: ic !< running index for aerosol mass bins
12161	INTEGER(iwp) :: icc !< running index for aerosol mass bins
12162	INTEGER(iwp) :: ig !< running index for gaseous species
12163	INTEGER(iwp) :: j !< running index y-direction
12164	INTEGER(iwp) :: k !< running index z-direction
12165
12166	REAL(wp) :: fac_dt !< interpolation factor
12167
12168	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_mconc !< reference profile for aerosol mass
12169	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_mconc_l !< reference profile for aerosol mass: subdomain
12170	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_nconc !< reference profile for aerosol number
12171	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_nconc_l !< reference profile for aerosol_number: subdomain
12172	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_gconc !< reference profile for gases
12173	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_gconc_l !< reference profile for gases: subdomain
12174
12175	!
12176	!-- Skip input if no forcing from larger-scale models is applied.
12177	IF ( .NOT. nesting_offline_salsa ) RETURN
12178	!
12179	!-- Allocate temporary arrays to compute salsa mean profiles
12180	ALLOCATE( ref_gconc(nzb:nzt+1,1:ngases_salsa), ref_gconc_l(nzb:nzt+1,1:ngases_salsa), &
12181	ref_mconc(nzb:nzt+1,1:nbins_aerosol*ncomponents_mass), &
12182	ref_mconc_l(nzb:nzt+1,1:nbins_aerosol*ncomponents_mass), &
12183	ref_nconc(nzb:nzt+1,1:nbins_aerosol), ref_nconc_l(nzb:nzt+1,1:nbins_aerosol) )
12184	ref_gconc = 0.0_wp
12185	ref_gconc_l = 0.0_wp
12186	ref_mconc = 0.0_wp
12187	ref_mconc_l = 0.0_wp
12188	ref_nconc = 0.0_wp
12189	ref_nconc_l = 0.0_wp
12190
12191	!
12192	!-- Determine interpolation factor and limit it to 1. This is because t+dt can slightly exceed
12193	!-- time(tind_p) before boundary data is updated again.
12194	fac_dt = ( time_utc_init + time_since_reference_point - &
12195	salsa_nest_offl%time(salsa_nest_offl%tind) + dt_3d ) / &
12196	( salsa_nest_offl%time(salsa_nest_offl%tind_p) - &
12197	salsa_nest_offl%time(salsa_nest_offl%tind) )
12198	fac_dt = MIN( 1.0_wp, fac_dt )
12199
12200	IF ( bc_dirichlet_l ) THEN
12201	DO ib = 1, nbins_aerosol
12202	DO j = nys, nyn
12203	DO k = nzb+1, nzt
12204	aerosol_number(ib)%conc(k,j,-1) = ( 1.0_wp - fac_dt ) * &
12205	salsa_nest_offl%nconc_left(0,k,j,ib) + fac_dt * &
12206	salsa_nest_offl%nconc_left(1,k,j,ib)
12207	ENDDO
12208	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12209	aerosol_number(ib)%conc(nzb+1:nzt,j,-1)
12210	ENDDO
12211	DO ic = 1, ncomponents_mass
12212	icc = ( ic-1 ) * nbins_aerosol + ib
12213	DO j = nys, nyn
12214	DO k = nzb+1, nzt
12215	aerosol_mass(icc)%conc(k,j,-1) = ( 1.0_wp - fac_dt ) * &
12216	salsa_nest_offl%mconc_left(0,k,j,icc) + fac_dt &
12217	* salsa_nest_offl%mconc_left(1,k,j,icc)
12218	ENDDO
12219	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12220	aerosol_mass(icc)%conc(nzb+1:nzt,j,-1)
12221	ENDDO
12222	ENDDO
12223	ENDDO
12224	IF ( .NOT. salsa_gases_from_chem ) THEN
12225	DO ig = 1, ngases_salsa
12226	DO j = nys, nyn
12227	DO k = nzb+1, nzt
12228	salsa_gas(ig)%conc(k,j,-1) = ( 1.0_wp - fac_dt ) * &
12229	salsa_nest_offl%gconc_left(0,k,j,ig) + fac_dt * &
12230	salsa_nest_offl%gconc_left(1,k,j,ig)
12231	ENDDO
12232	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12233	salsa_gas(ig)%conc(nzb+1:nzt,j,-1)
12234	ENDDO
12235	ENDDO
12236	ENDIF
12237	ENDIF
12238
12239	IF ( bc_dirichlet_r ) THEN
12240	DO ib = 1, nbins_aerosol
12241	DO j = nys, nyn
12242	DO k = nzb+1, nzt
12243	aerosol_number(ib)%conc(k,j,nxr+1) = ( 1.0_wp - fac_dt ) * &
12244	salsa_nest_offl%nconc_right(0,k,j,ib) + fac_dt * &
12245	salsa_nest_offl%nconc_right(1,k,j,ib)
12246	ENDDO
12247	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12248	aerosol_number(ib)%conc(nzb+1:nzt,j,nxr+1)
12249	ENDDO
12250	DO ic = 1, ncomponents_mass
12251	icc = ( ic-1 ) * nbins_aerosol + ib
12252	DO j = nys, nyn
12253	DO k = nzb+1, nzt
12254	aerosol_mass(icc)%conc(k,j,nxr+1) = ( 1.0_wp - fac_dt ) * &
12255	salsa_nest_offl%mconc_right(0,k,j,icc) + fac_dt&
12256	* salsa_nest_offl%mconc_right(1,k,j,icc)
12257	ENDDO
12258	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12259	aerosol_mass(icc)%conc(nzb+1:nzt,j,nxr+1)
12260	ENDDO
12261	ENDDO
12262	ENDDO
12263	IF ( .NOT. salsa_gases_from_chem ) THEN
12264	DO ig = 1, ngases_salsa
12265	DO j = nys, nyn
12266	DO k = nzb+1, nzt
12267	salsa_gas(ig)%conc(k,j,nxr+1) = ( 1.0_wp - fac_dt ) * &
12268	salsa_nest_offl%gconc_right(0,k,j,ig) + fac_dt *&
12269	salsa_nest_offl%gconc_right(1,k,j,ig)
12270	ENDDO
12271	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12272	salsa_gas(ig)%conc(nzb+1:nzt,j,nxr+1)
12273	ENDDO
12274	ENDDO
12275	ENDIF
12276	ENDIF
12277
12278	IF ( bc_dirichlet_n ) THEN
12279	DO ib = 1, nbins_aerosol
12280	DO i = nxl, nxr
12281	DO k = nzb+1, nzt
12282	aerosol_number(ib)%conc(k,nyn+1,i) = ( 1.0_wp - fac_dt ) * &
12283	salsa_nest_offl%nconc_north(0,k,i,ib) + fac_dt * &
12284	salsa_nest_offl%nconc_north(1,k,i,ib)
12285	ENDDO
12286	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12287	aerosol_number(ib)%conc(nzb+1:nzt,nyn+1,i)
12288	ENDDO
12289	DO ic = 1, ncomponents_mass
12290	icc = ( ic-1 ) * nbins_aerosol + ib
12291	DO i = nxl, nxr
12292	DO k = nzb+1, nzt
12293	aerosol_mass(icc)%conc(k,nyn+1,i) = ( 1.0_wp - fac_dt ) * &
12294	salsa_nest_offl%mconc_north(0,k,i,icc) + fac_dt&
12295	* salsa_nest_offl%mconc_north(1,k,i,icc)
12296	ENDDO
12297	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12298	aerosol_mass(icc)%conc(nzb+1:nzt,nyn+1,i)
12299	ENDDO
12300	ENDDO
12301	ENDDO
12302	IF ( .NOT. salsa_gases_from_chem ) THEN
12303	DO ig = 1, ngases_salsa
12304	DO i = nxl, nxr
12305	DO k = nzb+1, nzt
12306	salsa_gas(ig)%conc(k,nyn+1,i) = ( 1.0_wp - fac_dt ) * &
12307	salsa_nest_offl%gconc_north(0,k,i,ig) + fac_dt *&
12308	salsa_nest_offl%gconc_north(1,k,i,ig)
12309	ENDDO
12310	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12311	salsa_gas(ig)%conc(nzb+1:nzt,nyn+1,i)
12312	ENDDO
12313	ENDDO
12314	ENDIF
12315	ENDIF
12316
12317	IF ( bc_dirichlet_s ) THEN
12318	DO ib = 1, nbins_aerosol
12319	DO i = nxl, nxr
12320	DO k = nzb+1, nzt
12321	aerosol_number(ib)%conc(k,-1,i) = ( 1.0_wp - fac_dt ) * &
12322	salsa_nest_offl%nconc_south(0,k,i,ib) + fac_dt * &
12323	salsa_nest_offl%nconc_south(1,k,i,ib)
12324	ENDDO
12325	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12326	aerosol_number(ib)%conc(nzb+1:nzt,-1,i)
12327	ENDDO
12328	DO ic = 1, ncomponents_mass
12329	icc = ( ic-1 ) * nbins_aerosol + ib
12330	DO i = nxl, nxr
12331	DO k = nzb+1, nzt
12332	aerosol_mass(icc)%conc(k,-1,i) = ( 1.0_wp - fac_dt ) * &
12333	salsa_nest_offl%mconc_south(0,k,i,icc) + fac_dt&
12334	* salsa_nest_offl%mconc_south(1,k,i,icc)
12335	ENDDO
12336	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12337	aerosol_mass(icc)%conc(nzb+1:nzt,-1,i)
12338	ENDDO
12339	ENDDO
12340	ENDDO
12341	IF ( .NOT. salsa_gases_from_chem ) THEN
12342	DO ig = 1, ngases_salsa
12343	DO i = nxl, nxr
12344	DO k = nzb+1, nzt
12345	salsa_gas(ig)%conc(k,-1,i) = ( 1.0_wp - fac_dt ) * &
12346	salsa_nest_offl%gconc_south(0,k,i,ig) + fac_dt * &
12347	salsa_nest_offl%gconc_south(1,k,i,ig)
12348	ENDDO
12349	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12350	salsa_gas(ig)%conc(nzb+1:nzt,-1,i)
12351	ENDDO
12352	ENDDO
12353	ENDIF
12354	ENDIF
12355	!
12356	!-- Top boundary
12357	DO ib = 1, nbins_aerosol
12358	DO i = nxl, nxr
12359	DO j = nys, nyn
12360	aerosol_number(ib)%conc(nzt+1,j,i) = ( 1.0_wp - fac_dt ) * &
12361	salsa_nest_offl%nconc_top(0,j,i,ib) + fac_dt * &
12362	salsa_nest_offl%nconc_top(1,j,i,ib)
12363	ref_nconc_l(nzt+1,ib) = ref_nconc_l(nzt+1,ib) + aerosol_number(ib)%conc(nzt+1,j,i)
12364	ENDDO
12365	ENDDO
12366	DO ic = 1, ncomponents_mass
12367	icc = ( ic-1 ) * nbins_aerosol + ib
12368	DO i = nxl, nxr
12369	DO j = nys, nyn
12370	aerosol_mass(icc)%conc(nzt+1,j,i) = ( 1.0_wp - fac_dt ) * &
12371	salsa_nest_offl%mconc_top(0,j,i,icc) + fac_dt *&
12372	salsa_nest_offl%mconc_top(1,j,i,icc)
12373	ref_mconc_l(nzt+1,icc) = ref_mconc_l(nzt+1,icc) + aerosol_mass(icc)%conc(nzt+1,j,i)
12374	ENDDO
12375	ENDDO
12376	ENDDO
12377	ENDDO
12378	IF ( .NOT. salsa_gases_from_chem ) THEN
12379	DO ig = 1, ngases_salsa
12380	DO i = nxl, nxr
12381	DO j = nys, nyn
12382	salsa_gas(ig)%conc(nzt+1,j,i) = ( 1.0_wp - fac_dt ) * &
12383	salsa_nest_offl%gconc_top(0,j,i,ig) + fac_dt * &
12384	salsa_nest_offl%gconc_top(1,j,i,ig)
12385	ref_gconc_l(nzt+1,ig) = ref_gconc_l(nzt+1,ig) + salsa_gas(ig)%conc(nzt+1,j,i)
12386	ENDDO
12387	ENDDO
12388	ENDDO
12389	ENDIF
12390	!
12391	!-- Do local exchange
12392	DO ib = 1, nbins_aerosol
12393	CALL exchange_horiz( aerosol_number(ib)%conc, nbgp )
12394	DO ic = 1, ncomponents_mass
12395	icc = ( ic-1 ) * nbins_aerosol + ib
12396	CALL exchange_horiz( aerosol_mass(icc)%conc, nbgp )
12397	ENDDO
12398	ENDDO
12399	IF ( .NOT. salsa_gases_from_chem ) THEN
12400	DO ig = 1, ngases_salsa
12401	CALL exchange_horiz( salsa_gas(ig)%conc, nbgp )
12402	ENDDO
12403	ENDIF
12404	!
12405	!-- In case of Rayleigh damping, where the initial profiles are still used, update these profiles
12406	!-- from the averaged boundary data. But first, average these data.
12407	#if defined( __parallel )
12408	IF ( .NOT. salsa_gases_from_chem ) &
12409	CALL MPI_ALLREDUCE( ref_gconc_l, ref_gconc, ( nzt+1-nzb+1 ) * SIZE( ref_gconc(nzb,:) ), &
12410	MPI_REAL, MPI_SUM, comm2d, ierr )
12411	CALL MPI_ALLREDUCE( ref_mconc_l, ref_mconc, ( nzt+1-nzb+1 ) * SIZE( ref_mconc(nzb,:) ), &
12412	MPI_REAL, MPI_SUM, comm2d, ierr )
12413	CALL MPI_ALLREDUCE( ref_nconc_l, ref_nconc, ( nzt+1-nzb+1 ) * SIZE( ref_nconc(nzb,:) ), &
12414	MPI_REAL, MPI_SUM, comm2d, ierr )
12415	#else
12416	IF ( .NOT. salsa_gases_from_chem ) ref_gconc = ref_gconc_l
12417	ref_mconc = ref_mconc_l
12418	ref_nconc = ref_nconc_l
12419	#endif
12420	!
12421	!-- Average data. Note, reference profiles up to nzt are derived from lateral boundaries, at the
12422	!-- model top it is derived from the top boundary. Thus, number of input data is different from
12423	!-- nzb:nzt compared to nzt+1.
12424	!-- Derived from lateral boundaries.
12425	IF ( .NOT. salsa_gases_from_chem ) &
12426	ref_gconc(nzb:nzt,:) = ref_gconc(nzb:nzt,:) / REAL( 2.0_wp * ( ny + 1 + nx + 1 ), KIND = wp )
12427	ref_mconc(nzb:nzt,:) = ref_mconc(nzb:nzt,:) / REAL( 2.0_wp * ( ny + 1 + nx + 1 ), KIND = wp )
12428	ref_nconc(nzb:nzt,:) = ref_nconc(nzb:nzt,:) / REAL( 2.0_wp * ( ny + 1 + nx + 1 ), KIND = wp )
12429	!
12430	!-- Derived from top boundary
12431	IF ( .NOT. salsa_gases_from_chem ) &
12432	ref_gconc(nzt+1,:) = ref_gconc(nzt+1,:) / REAL( ( ny + 1 ) * ( nx + 1 ), KIND = wp )
12433	ref_mconc(nzt+1,:) = ref_mconc(nzt+1,:) / REAL( ( ny + 1 ) * ( nx + 1 ), KIND = wp )
12434	ref_nconc(nzt+1,:) = ref_nconc(nzt+1,:) / REAL( ( ny + 1 ) * ( nx + 1 ), KIND = wp )
12435	!
12436	!-- Write onto init profiles, which are used for damping. Also set lower boundary condition.
12437	DO ib = 1, nbins_aerosol
12438	aerosol_number(ib)%init(:) = ref_nconc(:,ib)
12439	aerosol_number(ib)%init(nzb) = aerosol_number(ib)%init(nzb+1)
12440	DO ic = 1, ncomponents_mass
12441	icc = ( ic-1 ) * nbins_aerosol + ib
12442	aerosol_mass(icc)%init(:) = ref_mconc(:,icc)
12443	aerosol_mass(icc)%init(nzb) = aerosol_mass(icc)%init(nzb+1)
12444	ENDDO
12445	ENDDO
12446	IF ( .NOT. salsa_gases_from_chem ) THEN
12447	DO ig = 1, ngases_salsa
12448	salsa_gas(ig)%init(:) = ref_gconc(:,ig)
12449	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
12450	ENDDO
12451	ENDIF
12452
12453	DEALLOCATE( ref_gconc, ref_gconc_l, ref_mconc, ref_mconc_l, ref_nconc, ref_nconc_l )
12454
12455	END SUBROUTINE salsa_nesting_offl_bc
12456
12457	!------------------------------------------------------------------------------!
12458	! Description:
12459	! ------------
12460	!> Allocate arrays used to read boundary data from NetCDF file and initialize
12461	!> boundary data.
12462	!------------------------------------------------------------------------------!
12463	SUBROUTINE salsa_nesting_offl_init
12464
12465	USE control_parameters, &
12466	ONLY: end_time, initializing_actions, spinup_time
12467
12468	USE palm_date_time_mod, &
12469	ONLY: get_date_time
12470
12471	IMPLICIT NONE
12472
12473	INTEGER(iwp) :: ib !< running index for aerosol number bins
12474	INTEGER(iwp) :: ic !< running index for aerosol mass bins
12475	INTEGER(iwp) :: icc !< additional running index for aerosol mass bins
12476	INTEGER(iwp) :: ig !< running index for gaseous species
12477	INTEGER(iwp) :: nmass_bins !< number of aerosol mass bins
12478
12479	nmass_bins = nbins_aerosol * ncomponents_mass
12480	!
12481	!-- Get time_utc_init from origin_date_time
12482	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
12483	!
12484	!-- Allocate arrays for reading boundary values. Arrays will incorporate 2 time levels in order to
12485	!-- interpolate in between.
12486	IF ( nesting_offline_salsa ) THEN
12487	IF ( bc_dirichlet_l ) THEN
12488	ALLOCATE( salsa_nest_offl%nconc_left(0:1,nzb+1:nzt,nys:nyn,1:nbins_aerosol) )
12489	ALLOCATE( salsa_nest_offl%mconc_left(0:1,nzb+1:nzt,nys:nyn,1:nmass_bins) )
12490	ENDIF
12491	IF ( bc_dirichlet_r ) THEN
12492	ALLOCATE( salsa_nest_offl%nconc_right(0:1,nzb+1:nzt,nys:nyn,1:nbins_aerosol) )
12493	ALLOCATE( salsa_nest_offl%mconc_right(0:1,nzb+1:nzt,nys:nyn,1:nmass_bins) )
12494	ENDIF
12495	IF ( bc_dirichlet_n ) THEN
12496	ALLOCATE( salsa_nest_offl%nconc_north(0:1,nzb+1:nzt,nxl:nxr,1:nbins_aerosol) )
12497	ALLOCATE( salsa_nest_offl%mconc_north(0:1,nzb+1:nzt,nxl:nxr,1:nmass_bins) )
12498	ENDIF
12499	IF ( bc_dirichlet_s ) THEN
12500	ALLOCATE( salsa_nest_offl%nconc_south(0:1,nzb+1:nzt,nxl:nxr,1:nbins_aerosol) )
12501	ALLOCATE( salsa_nest_offl%mconc_south(0:1,nzb+1:nzt,nxl:nxr,1:nmass_bins) )
12502	ENDIF
12503	ALLOCATE( salsa_nest_offl%nconc_top(0:1,nys:nyn,nxl:nxr,1:nbins_aerosol) )
12504	ALLOCATE( salsa_nest_offl%mconc_top(0:1,nys:nyn,nxl:nxr,1:nmass_bins) )
12505
12506	IF ( .NOT. salsa_gases_from_chem ) THEN
12507	IF ( bc_dirichlet_l ) THEN
12508	ALLOCATE( salsa_nest_offl%gconc_left(0:1,nzb+1:nzt,nys:nyn,1:ngases_salsa) )
12509	ENDIF
12510	IF ( bc_dirichlet_r ) THEN
12511	ALLOCATE( salsa_nest_offl%gconc_right(0:1,nzb+1:nzt,nys:nyn,1:ngases_salsa) )
12512	ENDIF
12513	IF ( bc_dirichlet_n ) THEN
12514	ALLOCATE( salsa_nest_offl%gconc_north(0:1,nzb+1:nzt,nxl:nxr,1:ngases_salsa) )
12515	ENDIF
12516	IF ( bc_dirichlet_s ) THEN
12517	ALLOCATE( salsa_nest_offl%gconc_south(0:1,nzb+1:nzt,nxl:nxr,1:ngases_salsa) )
12518	ENDIF
12519	ALLOCATE( salsa_nest_offl%gconc_top(0:1,nys:nyn,nxl:nxr,1:ngases_salsa) )
12520	ENDIF
12521
12522	!
12523	!-- Read data at lateral and top boundaries from a larger-scale model
12524	CALL salsa_nesting_offl_input
12525	!
12526	!-- Check if sufficient time steps are provided to cover the entire simulation. Note, dynamic
12527	!-- input is only required for the 3D simulation, not for the soil/wall spinup. However, as the
12528	!-- spinup time is added to the end_time, this must be considered here.
12529	IF ( end_time - spinup_time > &
12530	salsa_nest_offl%time(salsa_nest_offl%nt-1) - time_utc_init ) THEN
12531	message_string = 'end_time of the simulation exceeds the time dimension in the dynamic'//&
12532	' input file.'
12533	CALL message( 'salsa_nesting_offl_init', 'PA0681', 1, 2, 0, 6, 0 )
12534	ENDIF
12535
12536	IF ( salsa_nest_offl%time(0) /= time_utc_init ) THEN
12537	message_string = 'Offline nesting: time dimension must start at time_utc_init.'
12538	CALL message( 'salsa_nesting_offl_init', 'PA0682', 1, 2, 0, 6, 0 )
12539	ENDIF
12540	!
12541	!-- Initialize boundary data. Please note, do not initialize boundaries in case of restart runs.
12542	IF ( TRIM( initializing_actions ) /= 'read_restart_data' .AND. read_restart_data_salsa ) &
12543	THEN
12544	IF ( bc_dirichlet_l ) THEN
12545	DO ib = 1, nbins_aerosol
12546	aerosol_number(ib)%conc(nzb+1:nzt,nys:nyn,-1) = &
12547	salsa_nest_offl%nconc_left(0,nzb+1:nzt,nys:nyn,ib)
12548	DO ic = 1, ncomponents_mass
12549	icc = ( ic - 1 ) * nbins_aerosol + ib
12550	aerosol_mass(icc)%conc(nzb+1:nzt,nys:nyn,-1) = &
12551	salsa_nest_offl%mconc_left(0,nzb+1:nzt,nys:nyn,icc)
12552	ENDDO
12553	ENDDO
12554	DO ig = 1, ngases_salsa
12555	salsa_gas(ig)%conc(nzb+1:nzt,nys:nyn,-1) = &
12556	salsa_nest_offl%gconc_left(0,nzb+1:nzt,nys:nyn,ig)
12557	ENDDO
12558	ENDIF
12559	IF ( bc_dirichlet_r ) THEN
12560	DO ib = 1, nbins_aerosol
12561	aerosol_number(ib)%conc(nzb+1:nzt,nys:nyn,nxr+1) = &
12562	salsa_nest_offl%nconc_right(0,nzb+1:nzt,nys:nyn,ib)
12563	DO ic = 1, ncomponents_mass
12564	icc = ( ic - 1 ) * nbins_aerosol + ib
12565	aerosol_mass(icc)%conc(nzb+1:nzt,nys:nyn,nxr+1) = &
12566	salsa_nest_offl%mconc_right(0,nzb+1:nzt,nys:nyn,icc)
12567	ENDDO
12568	ENDDO
12569	DO ig = 1, ngases_salsa
12570	salsa_gas(ig)%conc(nzb+1:nzt,nys:nyn,nxr+1) = &
12571	salsa_nest_offl%gconc_right(0,nzb+1:nzt,nys:nyn,ig)
12572	ENDDO
12573	ENDIF
12574	IF ( bc_dirichlet_n ) THEN
12575	DO ib = 1, nbins_aerosol
12576	aerosol_number(ib)%conc(nzb+1:nzt,nyn+1,nxl:nxr) = &
12577	salsa_nest_offl%nconc_north(0,nzb+1:nzt,nxl:nxr,ib)
12578	DO ic = 1, ncomponents_mass
12579	icc = ( ic - 1 ) * nbins_aerosol + ib
12580	aerosol_mass(icc)%conc(nzb+1:nzt,nyn+1,nxl:nxr) = &
12581	salsa_nest_offl%mconc_north(0,nzb+1:nzt,nxl:nxr,icc)
12582	ENDDO
12583	ENDDO
12584	DO ig = 1, ngases_salsa
12585	salsa_gas(ig)%conc(nzb+1:nzt,nyn+1,nxl:nxr) = &
12586	salsa_nest_offl%gconc_north(0,nzb+1:nzt,nxl:nxr,ig)
12587	ENDDO
12588	ENDIF
12589	IF ( bc_dirichlet_s ) THEN
12590	DO ib = 1, nbins_aerosol
12591	aerosol_number(ib)%conc(nzb+1:nzt,-1,nxl:nxr) = &
12592	salsa_nest_offl%nconc_south(0,nzb+1:nzt,nxl:nxr,ib)
12593	DO ic = 1, ncomponents_mass
12594	icc = ( ic - 1 ) * nbins_aerosol + ib
12595	aerosol_mass(icc)%conc(nzb+1:nzt,-1,nxl:nxr) = &
12596	salsa_nest_offl%mconc_south(0,nzb+1:nzt,nxl:nxr,icc)
12597	ENDDO
12598	ENDDO
12599	DO ig = 1, ngases_salsa
12600	salsa_gas(ig)%conc(nzb+1:nzt,-1,nxl:nxr) = &
12601	salsa_nest_offl%gconc_south(0,nzb+1:nzt,nxl:nxr,ig)
12602	ENDDO
12603	ENDIF
12604	ENDIF
12605	ENDIF
12606
12607	END SUBROUTINE salsa_nesting_offl_init
12608
12609	!------------------------------------------------------------------------------!
12610	! Description:
12611	! ------------
12612	!> Set the lateral and top boundary conditions in case the PALM domain is
12613	!> nested offline in a mesoscale model. Further, average boundary data and
12614	!> determine mean profiles, further used for correct damping in the sponge
12615	!> layer.
12616	!------------------------------------------------------------------------------!
12617	SUBROUTINE salsa_nesting_offl_input
12618
12619	USE netcdf_data_input_mod, &
12620	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
12621	inquire_num_variables, inquire_variable_names, &
12622	get_dimension_length, open_read_file
12623
12624	IMPLICIT NONE
12625
12626	CHARACTER(LEN=25) :: vname !< variable name
12627
12628	INTEGER(iwp) :: ic !< running index for aerosol chemical components
12629	INTEGER(iwp) :: ig !< running index for gases
12630	INTEGER(iwp) :: num_vars !< number of variables in netcdf input file
12631
12632	!
12633	!-- Skip input if no forcing from larger-scale models is applied.
12634	IF ( .NOT. nesting_offline_salsa ) RETURN
12635	!
12636	!-- Initialise
12637	IF ( .NOT. salsa_nest_offl%init ) THEN
12638
12639	#if defined ( __netcdf )
12640	!
12641	!-- Open file in read-only mode
12642	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), &
12643	salsa_nest_offl%id_dynamic )
12644	!
12645	!-- At first, inquire all variable names.
12646	CALL inquire_num_variables( salsa_nest_offl%id_dynamic, num_vars )
12647	!
12648	!-- Allocate memory to store variable names.
12649	ALLOCATE( salsa_nest_offl%var_names(1:num_vars) )
12650	CALL inquire_variable_names( salsa_nest_offl%id_dynamic, salsa_nest_offl%var_names )
12651	!
12652	!-- Read time dimension, allocate memory and finally read time array
12653	CALL get_dimension_length( salsa_nest_offl%id_dynamic, salsa_nest_offl%nt,&
12654	'time' )
12655
12656	IF ( check_existence( salsa_nest_offl%var_names, 'time' ) ) THEN
12657	ALLOCATE( salsa_nest_offl%time(0:salsa_nest_offl%nt-1) )
12658	CALL get_variable( salsa_nest_offl%id_dynamic, 'time', salsa_nest_offl%time )
12659	ENDIF
12660	!
12661	!-- Read the vertical dimension
12662	CALL get_dimension_length( salsa_nest_offl%id_dynamic, &
12663	salsa_nest_offl%nzu, 'z' )
12664	ALLOCATE( salsa_nest_offl%zu_atmos(1:salsa_nest_offl%nzu) )
12665	CALL get_variable( salsa_nest_offl%id_dynamic, 'z', salsa_nest_offl%zu_atmos )
12666	!
12667	!-- Read the number of aerosol chemical components
12668	CALL get_dimension_length( salsa_nest_offl%id_dynamic, &
12669	salsa_nest_offl%ncc, 'composition_index' )
12670	!
12671	!-- Read the names of aerosol chemical components
12672	CALL get_variable( salsa_nest_offl%id_dynamic, 'composition_name', salsa_nest_offl%cc_name, &
12673	salsa_nest_offl%ncc )
12674	!
12675	!-- Define the index of each chemical component in the model
12676	DO ic = 1, salsa_nest_offl%ncc
12677	SELECT CASE ( TRIM( salsa_nest_offl%cc_name(ic) ) )
12678	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
12679	salsa_nest_offl%cc_in2mod(1) = ic
12680	CASE ( 'OC', 'oc' )
12681	salsa_nest_offl%cc_in2mod(2) = ic
12682	CASE ( 'BC', 'bc' )
12683	salsa_nest_offl%cc_in2mod(3) = ic
12684	CASE ( 'DU', 'du' )
12685	salsa_nest_offl%cc_in2mod(4) = ic
12686	CASE ( 'SS', 'ss' )
12687	salsa_nest_offl%cc_in2mod(5) = ic
12688	CASE ( 'HNO3', 'hno3', 'NO3', 'no3', 'NO', 'no' )
12689	salsa_nest_offl%cc_in2mod(6) = ic
12690	CASE ( 'NH3', 'nh3', 'NH4', 'nh4', 'NH', 'nh' )
12691	salsa_nest_offl%cc_in2mod(7) = ic
12692	END SELECT
12693	ENDDO
12694	IF ( SUM( salsa_nest_offl%cc_in2mod ) == 0 ) THEN
12695	message_string = 'None of the aerosol chemical components in ' // &
12696	TRIM( input_file_dynamic ) // ' correspond to ones applied in SALSA.'
12697	CALL message( 'salsa_mod: salsa_nesting_offl_input', &
12698	'PA0662', 2, 2, 0, 6, 0 )
12699	ENDIF
12700	#endif
12701	ENDIF
12702	!
12703	!-- Check if dynamic driver data input is required.
12704	IF ( salsa_nest_offl%time(salsa_nest_offl%tind_p) <= MAX( time_since_reference_point, 0.0_wp) &
12705	+ time_utc_init .OR. .NOT. salsa_nest_offl%init ) THEN
12706	CONTINUE
12707	!
12708	!-- Return otherwise
12709	ELSE
12710	RETURN
12711	ENDIF
12712	!
12713	!-- Obtain time index for current point in time.
12714	salsa_nest_offl%tind = MINLOC( ABS( salsa_nest_offl%time - ( time_utc_init + &
12715	MAX( time_since_reference_point, 0.0_wp) ) ), DIM = 1 ) - 1
12716	salsa_nest_offl%tind_p = salsa_nest_offl%tind + 1
12717	!
12718	!-- Open file in read-only mode
12719	#if defined ( __netcdf )
12720
12721	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), &
12722	salsa_nest_offl%id_dynamic )
12723	!
12724	!-- Read data at the western boundary
12725	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_left_aerosol', &
12726	salsa_nest_offl%nconc_left, &
12727	MERGE( 0, 1, bc_dirichlet_l ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_l ), &
12728	MERGE( nys, 1, bc_dirichlet_l ), MERGE( nyn, 0, bc_dirichlet_l ), &
12729	MERGE( nzb, 1, bc_dirichlet_l ), MERGE( nzt-1, 0, bc_dirichlet_l ), &
12730	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_l ), &
12731	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_l ) )
12732	IF ( bc_dirichlet_l ) THEN
12733	salsa_nest_offl%nconc_left = MAX( nclim, salsa_nest_offl%nconc_left )
12734	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nys, &
12735	nyn, 'ls_forcing_left_mass_fracs_a', 1 )
12736	ENDIF
12737	IF ( .NOT. salsa_gases_from_chem ) THEN
12738	DO ig = 1, ngases_salsa
12739	vname = salsa_nest_offl%char_l // salsa_nest_offl%gas_name(ig)
12740	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12741	salsa_nest_offl%gconc_left(:,:,:,ig), &
12742	MERGE( nys, 1, bc_dirichlet_l ), MERGE( nyn, 0, bc_dirichlet_l ), &
12743	MERGE( nzb, 1, bc_dirichlet_l ), MERGE( nzt-1, 0, bc_dirichlet_l ), &
12744	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_l ), &
12745	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_l ) )
12746	IF ( bc_dirichlet_l ) salsa_nest_offl%gconc_left(:,:,:,ig) = &
12747	MAX( nclim, salsa_nest_offl%gconc_left(:,:,:,ig) )
12748	ENDDO
12749	ENDIF
12750	!
12751	!-- Read data at the eastern boundary
12752	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_right_aerosol', &
12753	salsa_nest_offl%nconc_right, &
12754	MERGE( 0, 1, bc_dirichlet_r ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_r ), &
12755	MERGE( nys, 1, bc_dirichlet_r ), MERGE( nyn, 0, bc_dirichlet_r ), &
12756	MERGE( nzb, 1, bc_dirichlet_r ), MERGE( nzt-1, 0, bc_dirichlet_r ), &
12757	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_r ), &
12758	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_r ) )
12759	IF ( bc_dirichlet_r ) THEN
12760	salsa_nest_offl%nconc_right = MAX( nclim, salsa_nest_offl%nconc_right )
12761	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nys, &
12762	nyn, 'ls_forcing_right_mass_fracs_a', 2 )
12763	ENDIF
12764	IF ( .NOT. salsa_gases_from_chem ) THEN
12765	DO ig = 1, ngases_salsa
12766	vname = salsa_nest_offl%char_r // salsa_nest_offl%gas_name(ig)
12767	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12768	salsa_nest_offl%gconc_right(:,:,:,ig), &
12769	MERGE( nys, 1, bc_dirichlet_r ), MERGE( nyn, 0, bc_dirichlet_r ), &
12770	MERGE( nzb, 1, bc_dirichlet_r ), MERGE( nzt-1, 0, bc_dirichlet_r ), &
12771	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_r ), &
12772	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_r ) )
12773	IF ( bc_dirichlet_r ) salsa_nest_offl%gconc_right(:,:,:,ig) = &
12774	MAX( nclim, salsa_nest_offl%gconc_right(:,:,:,ig) )
12775	ENDDO
12776	ENDIF
12777	!
12778	!-- Read data at the northern boundary
12779	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_north_aerosol', &
12780	salsa_nest_offl%nconc_north, &
12781	MERGE( 0, 1, bc_dirichlet_n ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_n ), &
12782	MERGE( nxl, 1, bc_dirichlet_n ), MERGE( nxr, 0, bc_dirichlet_n ), &
12783	MERGE( nzb, 1, bc_dirichlet_n ), MERGE( nzt-1, 0, bc_dirichlet_n ), &
12784	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_n ), &
12785	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_n ) )
12786	IF ( bc_dirichlet_n ) THEN
12787	salsa_nest_offl%nconc_north = MAX( nclim, salsa_nest_offl%nconc_north )
12788	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nxl, &
12789	nxr, 'ls_forcing_north_mass_fracs_a', 3 )
12790	ENDIF
12791	IF ( .NOT. salsa_gases_from_chem ) THEN
12792	DO ig = 1, ngases_salsa
12793	vname = salsa_nest_offl%char_n // salsa_nest_offl%gas_name(ig)
12794	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12795	salsa_nest_offl%gconc_north(:,:,:,ig), &
12796	MERGE( nxl, 1, bc_dirichlet_n ), MERGE( nxr, 0, bc_dirichlet_n ), &
12797	MERGE( nzb, 1, bc_dirichlet_n ), MERGE( nzt-1, 0, bc_dirichlet_n ), &
12798	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_n ), &
12799	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_n ) )
12800	IF ( bc_dirichlet_n ) salsa_nest_offl%gconc_north(:,:,:,ig) = &
12801	MAX( nclim, salsa_nest_offl%gconc_north(:,:,:,ig) )
12802	ENDDO
12803	ENDIF
12804	!
12805	!-- Read data at the southern boundary
12806	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_south_aerosol', &
12807	salsa_nest_offl%nconc_south, &
12808	MERGE( 0, 1, bc_dirichlet_s ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_s ), &
12809	MERGE( nxl, 1, bc_dirichlet_s ), MERGE( nxr, 0, bc_dirichlet_s ), &
12810	MERGE( nzb, 1, bc_dirichlet_s ), MERGE( nzt-1, 0, bc_dirichlet_s ), &
12811	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_s ), &
12812	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_s ) )
12813	IF ( bc_dirichlet_s ) THEN
12814	salsa_nest_offl%nconc_south = MAX( nclim, salsa_nest_offl%nconc_south )
12815	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nxl, &
12816	nxr, 'ls_forcing_south_mass_fracs_a', 4 )
12817	ENDIF
12818	IF ( .NOT. salsa_gases_from_chem ) THEN
12819	DO ig = 1, ngases_salsa
12820	vname = salsa_nest_offl%char_s // salsa_nest_offl%gas_name(ig)
12821	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12822	salsa_nest_offl%gconc_south(:,:,:,ig), &
12823	MERGE( nxl, 1, bc_dirichlet_s ), MERGE( nxr, 0, bc_dirichlet_s ), &
12824	MERGE( nzb, 1, bc_dirichlet_s ), MERGE( nzt-1, 0, bc_dirichlet_s ), &
12825	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_s ), &
12826	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_s ) )
12827	IF ( bc_dirichlet_s ) salsa_nest_offl%gconc_south(:,:,:,ig) = &
12828	MAX( nclim, salsa_nest_offl%gconc_south(:,:,:,ig) )
12829	ENDDO
12830	ENDIF
12831	!
12832	!-- Read data at the top boundary
12833	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_top_aerosol', &
12834	salsa_nest_offl%nconc_top(0:1,nys:nyn,nxl:nxr,1:nbins_aerosol), &
12835	0, nbins_aerosol-1, nxl, nxr, nys, nyn, salsa_nest_offl%tind, &
12836	salsa_nest_offl%tind_p )
12837	salsa_nest_offl%nconc_top = MAX( nclim, salsa_nest_offl%nconc_top )
12838	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nys, nyn, nxl, nxr, &
12839	'ls_forcing_top_mass_fracs_a', 5 )
12840	IF ( .NOT. salsa_gases_from_chem ) THEN
12841	DO ig = 1, ngases_salsa
12842	vname = salsa_nest_offl%char_t // salsa_nest_offl%gas_name(ig)
12843	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12844	salsa_nest_offl%gconc_top(:,:,:,ig), nxl, nxr, nys, nyn, &
12845	salsa_nest_offl%tind, salsa_nest_offl%tind_p )
12846	salsa_nest_offl%gconc_top(:,:,:,ig) = MAX( nclim, salsa_nest_offl%gconc_top(:,:,:,ig) )
12847	ENDDO
12848	ENDIF
12849	!
12850	!-- Close input file
12851	CALL close_input_file( salsa_nest_offl%id_dynamic )
12852
12853	#endif
12854	!
12855	!-- Set control flag to indicate that initialization is already done
12856	salsa_nest_offl%init = .TRUE.
12857
12858	END SUBROUTINE salsa_nesting_offl_input
12859
12860	!------------------------------------------------------------------------------!
12861	! Description:
12862	! ------------
12863	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
12864	!------------------------------------------------------------------------------!
12865	SUBROUTINE nesting_offl_aero_mass( ts, te, ks, ke, is, ie, varname_a, ibound )
12866
12867	USE netcdf_data_input_mod, &
12868	ONLY: get_variable
12869
12870	IMPLICIT NONE
12871
12872	CHARACTER(LEN=25) :: varname_b !< name for bins b
12873
12874	CHARACTER(LEN=*), INTENT(in) :: varname_a !< name for bins a
12875
12876	INTEGER(iwp) :: ee !< loop index: end
12877	INTEGER(iwp) :: i !< loop index
12878	INTEGER(iwp) :: ib !< loop index
12879	INTEGER(iwp) :: ic !< loop index
12880	INTEGER(iwp) :: k !< loop index
12881	INTEGER(iwp) :: ss !< loop index: start
12882	INTEGER(iwp) :: t !< loop index
12883	INTEGER(iwp) :: type_so4_oc = -1 !<
12884
12885	INTEGER(iwp), INTENT(in) :: ibound !< index: 1=left, 2=right, 3=north, 4=south, 5=top
12886	INTEGER(iwp), INTENT(in) :: ie !< loop index
12887	INTEGER(iwp), INTENT(in) :: is !< loop index
12888	INTEGER(iwp), INTENT(in) :: ks !< loop index
12889	INTEGER(iwp), INTENT(in) :: ke !< loop index
12890	INTEGER(iwp), INTENT(in) :: ts !< loop index
12891	INTEGER(iwp), INTENT(in) :: te !< loop index
12892
12893	INTEGER(iwp), DIMENSION(maxspec) :: cc_i2m !<
12894
12895	REAL(wp) :: pmf1a !< mass fraction in 1a
12896
12897	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
12898
12899	REAL(wp), DIMENSION(0:1,ks:ke,is:ie,1:nbins_aerosol) :: to_nconc !<
12900	REAL(wp), DIMENSION(0:1,ks:ke,is:ie,1:nbins_aerosol*ncomponents_mass) :: to_mconc !<
12901
12902	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mf2a !< Mass distributions for a
12903	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mf2b !< and b bins
12904
12905	!
12906	!-- Variable name for insoluble mass fraction
12907	varname_b = varname_a(1:LEN( TRIM( varname_a ) ) - 1 ) // 'b'
12908	!
12909	!-- Bin mean aerosol particle volume (m3)
12910	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
12911	!
12912	!-- Allocate and read mass fraction arrays
12913	ALLOCATE( mf2a(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc), &
12914	mf2b(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc) )
12915	IF ( ibound == 5 ) THEN
12916	CALL get_variable( salsa_nest_offl%id_dynamic, varname_a, &
12917	mf2a(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc), 0, salsa_nest_offl%ncc-1, &
12918	is, ie, ks, ke, ts, te )
12919	ELSE
12920	CALL get_variable( salsa_nest_offl%id_dynamic, varname_a, &
12921	mf2a(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc), 0, salsa_nest_offl%ncc-1, &
12922	is, ie, ks-1, ke-1, ts, te )
12923	ENDIF
12924	!
12925	!-- If the chemical component is not activated, set its mass fraction to 0 to avoid mass inbalance
12926	cc_i2m = salsa_nest_offl%cc_in2mod
12927	IF ( index_so4 < 0 .AND. cc_i2m(1) > 0 ) mf2a(:,:,:,cc_i2m(1)) = 0.0_wp
12928	IF ( index_oc < 0 .AND. cc_i2m(2) > 0 ) mf2a(:,:,:,cc_i2m(2)) = 0.0_wp
12929	IF ( index_bc < 0 .AND. cc_i2m(3) > 0 ) mf2a(:,:,:,cc_i2m(3)) = 0.0_wp
12930	IF ( index_du < 0 .AND. cc_i2m(4) > 0 ) mf2a(:,:,:,cc_i2m(4)) = 0.0_wp
12931	IF ( index_ss < 0 .AND. cc_i2m(5) > 0 ) mf2a(:,:,:,cc_i2m(5)) = 0.0_wp
12932	IF ( index_no < 0 .AND. cc_i2m(6) > 0 ) mf2a(:,:,:,cc_i2m(6)) = 0.0_wp
12933	IF ( index_nh < 0 .AND. cc_i2m(7) > 0 ) mf2a(:,:,:,cc_i2m(7)) = 0.0_wp
12934	mf2b = 0.0_wp
12935	!
12936	!-- Initialise variable type_so4_oc to indicate whether SO4 and/OC is included in mass fraction data
12937	IF ( ( cc_i2m(1) > 0 .AND. index_so4 > 0 ) .AND. ( cc_i2m(2) > 0 .AND. index_oc > 0 ) ) &
12938	THEN
12939	type_so4_oc = 1
12940	ELSEIF ( cc_i2m(1) > 0 .AND. index_so4 > 0 ) THEN
12941	type_so4_oc = 2
12942	ELSEIF ( cc_i2m(2) > 0 .AND. index_oc > 0 ) THEN
12943	type_so4_oc = 3
12944	ENDIF
12945
12946	SELECT CASE ( ibound )
12947	CASE( 1 )
12948	to_nconc = salsa_nest_offl%nconc_left
12949	to_mconc = salsa_nest_offl%mconc_left
12950	CASE( 2 )
12951	to_nconc = salsa_nest_offl%nconc_right
12952	to_mconc = salsa_nest_offl%mconc_right
12953	CASE( 3 )
12954	to_nconc = salsa_nest_offl%nconc_north
12955	to_mconc = salsa_nest_offl%mconc_north
12956	CASE( 4 )
12957	to_nconc = salsa_nest_offl%nconc_south
12958	to_mconc = salsa_nest_offl%mconc_south
12959	CASE( 5 )
12960	to_nconc = salsa_nest_offl%nconc_top
12961	to_mconc = salsa_nest_offl%mconc_top
12962	END SELECT
12963	!
12964	!-- Set mass concentrations:
12965	!
12966	!-- Regime 1:
12967	SELECT CASE ( type_so4_oc )
12968	CASE ( 1 ) ! Both SO4 and OC given
12969
12970	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a ! start
12971	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a ! end
12972	ib = start_subrange_1a
12973	DO ic = ss, ee
12974	DO i = is, ie
12975	DO k = ks, ke
12976	DO t = 0, 1
12977	pmf1a = mf2a(t,k,i,cc_i2m(1)) / ( mf2a(t,k,i,cc_i2m(1)) + mf2a(t,k,i,cc_i2m(2)) )
12978	to_mconc(t,k,i,ic) = pmf1a * to_nconc(t,k,i,ib) * core(ib) * arhoh2so4
12979	ENDDO
12980	ENDDO
12981	ENDDO
12982	ib = ib + 1
12983	ENDDO
12984	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a ! start
12985	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a ! end
12986	ib = start_subrange_1a
12987	DO ic = ss, ee
12988	DO i = is, ie
12989	DO k = ks, ke
12990	DO t = 0, 1
12991	pmf1a = mf2a(t,k,i,cc_i2m(2)) / ( mf2a(t,k,i,cc_i2m(1)) + mf2a(t,k,i,cc_i2m(2)) )
12992	to_mconc(t,k,i,ic) = pmf1a * to_nconc(t,k,i,ib) * core(ib) * arhooc
12993	ENDDO
12994	ENDDO
12995	ENDDO
12996	ib = ib + 1
12997	ENDDO
12998	CASE ( 2 ) ! Only SO4
12999	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a ! start
13000	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a ! end
13001	ib = start_subrange_1a
13002	DO ic = ss, ee
13003	DO i = is, ie
13004	DO k = ks, ke
13005	DO t = 0, 1
13006	to_mconc(t,k,i,ic) = to_nconc(t,k,i,ib) * core(ib) * arhoh2so4
13007	ENDDO
13008	ENDDO
13009	ENDDO
13010	ib = ib + 1
13011	ENDDO
13012	CASE ( 3 ) ! Only OC
13013	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a ! start
13014	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a ! end
13015	ib = start_subrange_1a
13016	DO ic = ss, ee
13017	DO i = is, ie
13018	DO k = ks, ke
13019	DO t = 0, 1
13020	to_mconc(t,k,i,ic) = to_nconc(t,k,i,ib) * core(ib) * arhooc
13021	ENDDO
13022	ENDDO
13023	ENDDO
13024	ib = ib + 1
13025	ENDDO
13026	END SELECT
13027	!
13028	!-- Regimes 2a and 2b:
13029	IF ( index_so4 > 0 ) THEN
13030	CALL set_nest_mass( index_so4, 1, arhoh2so4 )
13031	ENDIF
13032	IF ( index_oc > 0 ) THEN
13033	CALL set_nest_mass( index_oc, 2, arhooc )
13034	ENDIF
13035	IF ( index_bc > 0 ) THEN
13036	CALL set_nest_mass( index_bc, 3, arhobc )
13037	ENDIF
13038	IF ( index_du > 0 ) THEN
13039	CALL set_nest_mass( index_du, 4, arhodu )
13040	ENDIF
13041	IF ( index_ss > 0 ) THEN
13042	CALL set_nest_mass( index_ss, 5, arhoss )
13043	ENDIF
13044	IF ( index_no > 0 ) THEN
13045	CALL set_nest_mass( index_no, 6, arhohno3 )
13046	ENDIF
13047	IF ( index_nh > 0 ) THEN
13048	CALL set_nest_mass( index_nh, 7, arhonh3 )
13049	ENDIF
13050
13051	DEALLOCATE( mf2a, mf2b )
13052
13053	SELECT CASE ( ibound )
13054	CASE( 1 )
13055	salsa_nest_offl%mconc_left = to_mconc
13056	CASE( 2 )
13057	salsa_nest_offl%mconc_right = to_mconc
13058	CASE( 3 )
13059	salsa_nest_offl%mconc_north = to_mconc
13060	CASE( 4 )
13061	salsa_nest_offl%mconc_south = to_mconc
13062	CASE( 5 )
13063	salsa_nest_offl%mconc_top = to_mconc
13064	END SELECT
13065
13066	CONTAINS
13067
13068	!------------------------------------------------------------------------------!
13069	! Description:
13070	! ------------
13071	!> Set nesting boundaries for aerosol mass.
13072	!------------------------------------------------------------------------------!
13073	SUBROUTINE set_nest_mass( ispec, ispec_def, prho )
13074
13075	IMPLICIT NONE
13076
13077	INTEGER(iwp) :: ic !< chemical component index: default
13078	INTEGER(iwp) :: icc !< loop index: mass bin
13079
13080	INTEGER(iwp), INTENT(in) :: ispec !< aerosol species index
13081	INTEGER(iwp), INTENT(in) :: ispec_def !< default aerosol species index
13082
13083	REAL(wp), INTENT(in) :: prho !< aerosol density
13084	!
13085	!-- Define the index of the chemical component in the input data
13086	ic = salsa_nest_offl%cc_in2mod(ispec_def)
13087
13088	DO i = is, ie
13089	DO k = ks, ke
13090	DO t = 0, 1
13091	!
13092	!-- Regime 2a:
13093	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
13094	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
13095	ib = start_subrange_2a
13096	DO icc = ss, ee
13097	to_mconc(t,k,i,icc) = MAX( 0.0_wp, mf2a(t,k,i,ic) / SUM( mf2a(t,k,i,:) ) ) * &
13098	to_nconc(t,k,i,ib) * core(ib) * prho
13099	ib = ib + 1
13100	ENDDO
13101	!
13102	!-- Regime 2b:
13103	IF ( .NOT. no_insoluble ) THEN
13104	!
13105	!-- TODO!
13106	mf2b(t,k,i,ic) = mf2b(t,k,i,ic)
13107	ENDIF
13108	ENDDO ! k
13109
13110	ENDDO ! j
13111	ENDDO ! i
13112
13113	END SUBROUTINE set_nest_mass
13114
13115	END SUBROUTINE nesting_offl_aero_mass
13116
13117
13118	END MODULE salsa_mod

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