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source: palm/trunk/SOURCE/salsa_mod.f90 @ 4273

Last change on this file since 4273 was 4273, checked in by monakurppa, 6 years ago
Add logical switched nesting_chem and nesting_offline_chem
Property svn:keywords set to `Id`
File size: 603.3 KB

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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 4273 2019-10-24 13:40:54Z monakurppa $
28	! - Rename nest_salsa to nesting_salsa
29	! - Correct some errors in boundary condition flags
30	! - Add a check for not trying to output gas concentrations in salsa if the
31	! chemistry module is applied
32	! - Set the default value of nesting_salsa and nesting_offline_salsa to .TRUE.
33	!
34	! 4272 2019-10-23 15:18:57Z schwenkel
35	! Further modularization of boundary conditions: moved boundary conditions to
36	! respective modules
37	!
38	! 4270 2019-10-23 10:46:20Z monakurppa
39	! - Implement offline nesting for salsa
40	! - Alphabetic ordering for module interfaces
41	! - Remove init_aerosol_type and init_gases_type from salsa_parin and define them
42	! based on the initializing_actions
43	! - parameter definition removed from "season" and "season_z01" is added to parin
44	! - bugfix in application of index_hh after implementing the new
45	! palm_date_time_mod
46	! - Reformat salsa emission data with LOD=2: size distribution given for each
47	! emission category
48	!
49	! 4268 2019-10-17 11:29:38Z schwenkel
50	! Moving module specific boundary conditions from time_integration to module
51	!
52	! 4256 2019-10-07 10:08:52Z monakurppa
53	! Document previous changes: use global variables nx, ny and nz in salsa_header
54	!
55	! 4227 2019-09-10 18:04:34Z gronemeier
56	! implement new palm_date_time_mod
57	!
58	! 4226 2019-09-10 17:03:24Z suehring
59	! Netcdf input routine for dimension length renamed
60	!
61	! 4182 2019-08-22 15:20:23Z scharf
62	! Corrected "Former revisions" section
63	!
64	! 4167 2019-08-16 11:01:48Z suehring
65	! Changed behaviour of masked output over surface to follow terrain and ignore
66	! buildings (J.Resler, T.Gronemeier)
67	!
68	! 4131 2019-08-02 11:06:18Z monakurppa
69	! - Add "salsa_" before each salsa output variable
70	! - Add a possibility to output the number (salsa_N_UFP) and mass concentration
71	! (salsa_PM0.1) of ultrafine particles, i.e. particles with a diameter smaller
72	! than 100 nm
73	! - Implement aerosol emission mode "parameterized" which is based on the street
74	! type (similar to the chemistry module).
75	! - Remove unnecessary nucleation subroutines.
76	! - Add the z-dimension for gaseous emissions to correspond the implementation
77	! in the chemistry module
78	!
79	! 4118 2019-07-25 16:11:45Z suehring
80	! - When Dirichlet condition is applied in decycling, the boundary conditions are
81	! only set at the ghost points and not at the prognostic grid points as done
82	! before
83	! - Rename decycle_ns/lr to decycle_salsa_ns/lr and decycle_method to
84	! decycle_method_salsa
85	! - Allocation and initialization of special advection flags salsa_advc_flags_s
86	! used for salsa. These are exclusively used for salsa variables to
87	! distinguish from the usually-used flags which might be different when
88	! decycling is applied in combination with cyclic boundary conditions.
89	! Moreover, salsa_advc_flags_s considers extended zones around buildings where
90	! the first-order upwind scheme is applied for the horizontal advection terms.
91	! This is done to overcome high concentration peaks due to stationary numerical
92	! oscillations caused by horizontal advection discretization.
93	!
94	! 4117 2019-07-25 08:54:02Z monakurppa
95	! Pass integer flag array as well as boundary flags to WS scalar advection
96	! routine
97	!
98	! 4109 2019-07-22 17:00:34Z suehring
99	! Slightly revise setting of boundary conditions at horizontal walls, use
100	! data-structure offset index instead of pre-calculate it for each facing
101	!
102	! 4079 2019-07-09 18:04:41Z suehring
103	! Application of monotonic flux limiter for the vertical scalar advection
104	! up to the topography top (only for the cache-optimized version at the
105	! moment).
106	!
107	! 4069 2019-07-01 14:05:51Z Giersch
108	! Masked output running index mid has been introduced as a local variable to
109	! avoid runtime error (Loop variable has been modified) in time_integration
110	!
111	! 4058 2019-06-27 15:25:42Z knoop
112	! Bugfix: to_be_resorted was uninitialized in case of s_H2O in 3d_data_averaging
113	!
114	! 4012 2019-05-31 15:19:05Z monakurppa
115	! Merge salsa branch to trunk. List of changes:
116	! - Error corrected in distr_update that resulted in the aerosol number size
117	! distribution not converging if the concentration was nclim.
118	! - Added a separate output for aerosol liquid water (s_H2O)
119	! - aerosol processes for a size bin are now calculated only if the aerosol
120	! number of concentration of that bin is > 2*nclim
121	! - An initialisation error in the subroutine "deposition" corrected and the
122	! subroutine reformatted.
123	! - stuff from salsa_util_mod.f90 moved into salsa_mod.f90
124	! - calls for closing the netcdf input files added
125	!
126	! 3956 2019-05-07 12:32:52Z monakurppa
127	! - Conceptual bug in depo_surf correct for urban and land surface model
128	! - Subroutine salsa_tendency_ij optimized.
129	! - Interfaces salsa_non_advective_processes and salsa_exchange_horiz_bounds
130	! created. These are now called in module_interface.
131	! salsa_exchange_horiz_bounds after calling salsa_driver only when needed
132	! (i.e. every dt_salsa).
133	!
134	! 3924 2019-04-23 09:33:06Z monakurppa
135	! Correct a bug introduced by the previous update.
136	!
137	! 3899 2019-04-16 14:05:27Z monakurppa
138	! - remove unnecessary error / location messages
139	! - corrected some error message numbers
140	! - allocate source arrays only if emissions or dry deposition is applied.
141	!
142	! 3885 2019-04-11 11:29:34Z kanani
143	! Changes related to global restructuring of location messages and introduction
144	! of additional debug messages
145	!
146	! 3876 2019-04-08 18:41:49Z knoop
147	! Introduced salsa_actions module interface
148	!
149	! 3871 2019-04-08 14:38:39Z knoop
150	! Major changes in formatting, performance and data input structure (see branch
151	! the history for details)
152	! - Time-dependent emissions enabled: lod=1 for yearly PM emissions that are
153	! normalised depending on the time, and lod=2 for preprocessed emissions
154	! (similar to the chemistry module).
155	! - Additionally, 'uniform' emissions allowed. This emission is set constant on
156	! all horisontal upward facing surfaces and it is created based on parameters
157	! surface_aerosol_flux, aerosol_flux_dpg/sigmag/mass_fracs_a/mass_fracs_b.
158	! - All emissions are now implemented as surface fluxes! No 3D sources anymore.
159	! - Update the emission information by calling salsa_emission_update if
160	! skip_time_do_salsa >= time_since_reference_point and
161	! next_aero_emission_update <= time_since_reference_point
162	! - Aerosol background concentrations read from PIDS_DYNAMIC. The vertical grid
163	! must match the one applied in the model.
164	! - Gas emissions and background concentrations can be also read in in salsa_mod
165	! if the chemistry module is not applied.
166	! - In deposition, information on the land use type can be now imported from
167	! the land use model
168	! - Use SI units in PARIN, i.e. n_lognorm given in #/m3 and dpg in metres.
169	! - Apply 100 character line limit
170	! - Change all variable names from capital to lowercase letter
171	! - Change real exponents to integer if possible. If not, precalculate the value
172	! value of exponent
173	! - Rename in1a to start_subrange_1a, fn2a to end_subrange_1a etc.
174	! - Rename nbins --> nbins_aerosol, ncc_tot --> ncomponents_mass and ngast -->
175	! ngases_salsa
176	! - Rename ibc to index_bc, idu to index_du etc.
177	! - Renamed loop indices b, c and sg to ib, ic and ig
178	! - run_salsa subroutine removed
179	! - Corrected a bud in salsa_driver: falsely applied ino instead of inh
180	! - Call salsa_tendency within salsa_prognostic_equations which is called in
181	! module_interface_mod instead of prognostic_equations_mod
182	! - Removed tailing white spaces and unused variables
183	! - Change error message to start by PA instead of SA
184	!
185	! 3833 2019-03-28 15:04:04Z forkel
186	! added USE chem_gasphase_mod for nvar, nspec and spc_names
187	!
188	! 3787 2019-03-07 08:43:54Z raasch
189	! unused variables removed
190	!
191	! 3780 2019-03-05 11:19:45Z forkel
192	! unused variable for file index removed from rrd-subroutines parameter list
193	!
194	! 3685 2019-01-21 01:02:11Z knoop
195	! Some interface calls moved to module_interface + cleanup
196	!
197	! 3655 2019-01-07 16:51:22Z knoop
198	! Implementation of the PALM module interface
199	! 3412 2018-10-24 07:25:57Z monakurppa
200	!
201	! Authors:
202	! --------
203	! @author Mona Kurppa (University of Helsinki)
204	!
205	!
206	! Description:
207	! ------------
208	!> Sectional aerosol module for large scale applications SALSA
209	!> (Kokkola et al., 2008, ACP 8, 2469-2483). Solves the aerosol number and mass
210	!> concentration as well as chemical composition. Includes aerosol dynamic
211	!> processes: nucleation, condensation/evaporation of vapours, coagulation and
212	!> deposition on tree leaves, ground and roofs.
213	!> Implementation is based on formulations implemented in UCLALES-SALSA except
214	!> for deposition which is based on parametrisations by Zhang et al. (2001,
215	!> Atmos. Environ. 35, 549-560) or Petroff&Zhang (2010, Geosci. Model Dev. 3,
216	!> 753-769)
217	!>
218	!> @todo Apply information from emission_stack_height to lift emission sources
219	!> @todo emission mode "parameterized", i.e. based on street type
220	!> @todo Allow insoluble emissions
221	!> @todo Apply flux limiter in prognostic equations
222	!------------------------------------------------------------------------------!
223	MODULE salsa_mod
224
225	USE basic_constants_and_equations_mod, &
226	ONLY: c_p, g, p_0, pi, r_d
227
228	USE chem_gasphase_mod, &
229	ONLY: nspec, nvar, spc_names
230
231	USE chem_modules, &
232	ONLY: call_chem_at_all_substeps, chem_gasphase_on, chem_species
233
234	USE control_parameters, &
235	ONLY: air_chemistry, bc_dirichlet_l, bc_dirichlet_n, bc_dirichlet_r, bc_dirichlet_s, &
236	bc_lr, bc_lr_cyc, bc_ns, bc_ns_cyc, bc_radiation_l, bc_radiation_n, bc_radiation_r, &
237	bc_radiation_s, coupling_char, debug_output, dt_3d, intermediate_timestep_count, &
238	intermediate_timestep_count_max, land_surface, max_pr_salsa, message_string, &
239	monotonic_limiter_z, plant_canopy, pt_surface, salsa, scalar_advec, &
240	surface_pressure, time_since_reference_point, timestep_scheme, tsc, urban_surface, &
241	ws_scheme_sca
242
243	USE indices, &
244	ONLY: nbgp, nx, nxl, nxlg, nxr, nxrg, ny, nyn, nyng, nys, nysg, nzb, nz, nzt, wall_flags_0
245
246	USE kinds
247
248	USE netcdf_data_input_mod, &
249	ONLY: chem_emis_att_type, chem_emis_val_type
250
251	USE pegrid
252
253	USE statistics, &
254	ONLY: sums_salsa_ws_l
255
256	IMPLICIT NONE
257	!
258	!-- SALSA constants:
259	!
260	!-- Local constants:
261	INTEGER(iwp), PARAMETER :: luc_urban = 15 !< default landuse type for urban
262	INTEGER(iwp), PARAMETER :: ngases_salsa = 5 !< total number of gaseous tracers:
263	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV
264	!< (non-volatile OC), 5 = OCSV (semi-volatile)
265	INTEGER(iwp), PARAMETER :: nmod = 7 !< number of modes for initialising the aerosol size distribution
266	INTEGER(iwp), PARAMETER :: nreg = 2 !< Number of main size subranges
267	INTEGER(iwp), PARAMETER :: maxspec = 7 !< Max. number of aerosol species
268
269
270	REAL(wp), PARAMETER :: fill_value = -9999.0_wp !< value for the _FillValue attribute
271	!
272	!-- Universal constants
273	REAL(wp), PARAMETER :: abo = 1.380662E-23_wp !< Boltzmann constant (J/K)
274	REAL(wp), PARAMETER :: alv = 2.260E+6_wp !< latent heat for H2O vaporisation (J/kg)
275	REAL(wp), PARAMETER :: alv_d_rv = 4896.96865_wp !< alv / rv
276	REAL(wp), PARAMETER :: am_airmol = 4.8096E-26_wp !< Average mass of an air molecule (Jacobson 2005, Eq.2.3)
277	REAL(wp), PARAMETER :: api6 = 0.5235988_wp !< pi / 6
278	REAL(wp), PARAMETER :: argas = 8.314409_wp !< Gas constant (J/(mol K))
279	REAL(wp), PARAMETER :: argas_d_cpd = 8.281283865E-3_wp !< argas per cpd
280	REAL(wp), PARAMETER :: avo = 6.02214E+23_wp !< Avogadro constant (1/mol)
281	REAL(wp), PARAMETER :: d_sa = 5.539376964394570E-10_wp !< diameter of condensing H2SO4 molecule (m)
282	REAL(wp), PARAMETER :: for_ppm_to_nconc = 7.243016311E+16_wp !< ppm * avo / R (K/(Pa*m3))
283	REAL(wp), PARAMETER :: epsoc = 0.15_wp !< water uptake of organic material
284	REAL(wp), PARAMETER :: mclim = 1.0E-23_wp !< mass concentration min limit (kg/m3)
285	REAL(wp), PARAMETER :: n3 = 158.79_wp !< Number of H2SO4 molecules in 3 nm cluster if d_sa=5.54e-10m
286	REAL(wp), PARAMETER :: nclim = 1.0_wp !< number concentration min limit (#/m3)
287	REAL(wp), PARAMETER :: surfw0 = 0.073_wp !< surface tension of water at 293 K (J/m2)
288	!
289	!-- Molar masses in kg/mol
290	REAL(wp), PARAMETER :: ambc = 12.0E-3_wp !< black carbon (BC)
291	REAL(wp), PARAMETER :: amdair = 28.970E-3_wp !< dry air
292	REAL(wp), PARAMETER :: amdu = 100.E-3_wp !< mineral dust
293	REAL(wp), PARAMETER :: amh2o = 18.0154E-3_wp !< H2O
294	REAL(wp), PARAMETER :: amh2so4 = 98.06E-3_wp !< H2SO4
295	REAL(wp), PARAMETER :: amhno3 = 63.01E-3_wp !< HNO3
296	REAL(wp), PARAMETER :: amn2o = 44.013E-3_wp !< N2O
297	REAL(wp), PARAMETER :: amnh3 = 17.031E-3_wp !< NH3
298	REAL(wp), PARAMETER :: amo2 = 31.9988E-3_wp !< O2
299	REAL(wp), PARAMETER :: amo3 = 47.998E-3_wp !< O3
300	REAL(wp), PARAMETER :: amoc = 150.E-3_wp !< organic carbon (OC)
301	REAL(wp), PARAMETER :: amss = 58.44E-3_wp !< sea salt (NaCl)
302	!
303	!-- Densities in kg/m3
304	REAL(wp), PARAMETER :: arhobc = 2000.0_wp !< black carbon
305	REAL(wp), PARAMETER :: arhodu = 2650.0_wp !< mineral dust
306	REAL(wp), PARAMETER :: arhoh2o = 1000.0_wp !< H2O
307	REAL(wp), PARAMETER :: arhoh2so4 = 1830.0_wp !< SO4
308	REAL(wp), PARAMETER :: arhohno3 = 1479.0_wp !< HNO3
309	REAL(wp), PARAMETER :: arhonh3 = 1530.0_wp !< NH3
310	REAL(wp), PARAMETER :: arhooc = 2000.0_wp !< organic carbon
311	REAL(wp), PARAMETER :: arhoss = 2165.0_wp !< sea salt (NaCl)
312	!
313	!-- Volume of molecule in m3/#
314	REAL(wp), PARAMETER :: amvh2o = amh2o /avo / arhoh2o !< H2O
315	REAL(wp), PARAMETER :: amvh2so4 = amh2so4 / avo / arhoh2so4 !< SO4
316	REAL(wp), PARAMETER :: amvhno3 = amhno3 / avo / arhohno3 !< HNO3
317	REAL(wp), PARAMETER :: amvnh3 = amnh3 / avo / arhonh3 !< NH3
318	REAL(wp), PARAMETER :: amvoc = amoc / avo / arhooc !< OC
319	REAL(wp), PARAMETER :: amvss = amss / avo / arhoss !< sea salt
320	!
321	!-- Constants for the dry deposition model by Petroff and Zhang (2010):
322	!-- obstacle characteristic dimension "L" (cm) (plane obstacle by default) and empirical constants
323	!-- C_B, C_IN, C_IM, beta_IM and C_IT for each land use category (15, as in Zhang et al. (2001))
324	REAL(wp), DIMENSION(1:15), PARAMETER :: l_p10 = &
325	(/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/)
326	REAL(wp), DIMENSION(1:15), PARAMETER :: c_b_p10 = &
327	(/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/)
328	REAL(wp), DIMENSION(1:15), PARAMETER :: c_in_p10 = &
329	(/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/)
330	REAL(wp), DIMENSION(1:15), PARAMETER :: c_im_p10 = &
331	(/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/)
332	REAL(wp), DIMENSION(1:15), PARAMETER :: beta_im_p10 = &
333	(/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/)
334	REAL(wp), DIMENSION(1:15), PARAMETER :: c_it_p10 = &
335	(/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/)
336	!
337	!-- Constants for the dry deposition model by Zhang et al. (2001):
338	!-- empirical constants "alpha" and "gamma" and characteristic radius "A" for
339	!-- each land use category (15) and season (5)
340	REAL(wp), DIMENSION(1:15), PARAMETER :: alpha_z01 = &
341	(/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/)
342	REAL(wp), DIMENSION(1:15), PARAMETER :: gamma_z01 = &
343	(/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/)
344	REAL(wp), DIMENSION(1:15,1:5), PARAMETER :: A_z01 = RESHAPE( (/&
345	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
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,& ! SC2
347	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
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,& ! SC4
349	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
350	/), (/ 15, 5 /) )
351	!-- Land use categories (based on Z01 but the same applies here also for P10):
352	!-- 1 = evergreen needleleaf trees,
353	!-- 2 = evergreen broadleaf trees,
354	!-- 3 = deciduous needleleaf trees,
355	!-- 4 = deciduous broadleaf trees,
356	!-- 5 = mixed broadleaf and needleleaf trees (deciduous broadleaf trees for P10),
357	!-- 6 = grass (short grass for P10),
358	!-- 7 = crops, mixed farming,
359	!-- 8 = desert,
360	!-- 9 = tundra,
361	!-- 10 = shrubs and interrupted woodlands (thorn shrubs for P10),
362	!-- 11 = wetland with plants (long grass for P10)
363	!-- 12 = ice cap and glacier,
364	!-- 13 = inland water (inland lake for P10)
365	!-- 14 = ocean (water for P10),
366	!-- 15 = urban
367	!
368	!-- SALSA variables:
369	CHARACTER(LEN=20) :: bc_salsa_b = 'neumann' !< bottom boundary condition
370	CHARACTER(LEN=20) :: bc_salsa_t = 'neumann' !< top boundary condition
371	CHARACTER(LEN=20) :: depo_pcm_par = 'zhang2001' !< or 'petroff2010'
372	CHARACTER(LEN=20) :: depo_pcm_type = 'deciduous_broadleaf' !< leaf type
373	CHARACTER(LEN=20) :: depo_surf_par = 'zhang2001' !< or 'petroff2010'
374	CHARACTER(LEN=100) :: input_file_dynamic = 'PIDS_DYNAMIC' !< file name for dynamic input
375	CHARACTER(LEN=100) :: input_file_salsa = 'PIDS_SALSA' !< file name for emission data
376	CHARACTER(LEN=20) :: salsa_emission_mode = 'no_emission' !< 'no_emission', 'uniform',
377	!< 'parameterized', 'read_from_file'
378
379	CHARACTER(LEN=20), DIMENSION(4) :: decycle_method_salsa = &
380	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
381	!< Decycling method at horizontal boundaries
382	!< 1=left, 2=right, 3=south, 4=north
383	!< dirichlet = initial profiles for the ghost and first 3 layers
384	!< neumann = zero gradient
385
386	CHARACTER(LEN=3), DIMENSION(maxspec) :: listspec = & !< Active aerosols
387	(/'SO4',' ',' ',' ',' ',' ',' '/)
388
389	INTEGER(iwp) :: depo_pcm_par_num = 1 !< parametrisation type: 1=zhang2001, 2=petroff2010
390	INTEGER(iwp) :: depo_pcm_type_num = 0 !< index for the dry deposition type on the plant canopy
391	INTEGER(iwp) :: depo_surf_par_num = 1 !< parametrisation type: 1=zhang2001, 2=petroff2010
392	INTEGER(iwp) :: end_subrange_1a = 1 !< last index for bin subrange 1a
393	INTEGER(iwp) :: end_subrange_2a = 1 !< last index for bin subrange 2a
394	INTEGER(iwp) :: end_subrange_2b = 1 !< last index for bin subrange 2b
395	INTEGER(iwp) :: ibc_salsa_b !< index for the bottom boundary condition
396	INTEGER(iwp) :: ibc_salsa_t !< index for the top boundary condition
397	INTEGER(iwp) :: index_bc = -1 !< index for black carbon (BC)
398	INTEGER(iwp) :: index_du = -1 !< index for dust
399	INTEGER(iwp) :: index_nh = -1 !< index for NH3
400	INTEGER(iwp) :: index_no = -1 !< index for HNO3
401	INTEGER(iwp) :: index_oc = -1 !< index for organic carbon (OC)
402	INTEGER(iwp) :: index_so4 = -1 !< index for SO4 or H2SO4
403	INTEGER(iwp) :: index_ss = -1 !< index for sea salt
404	INTEGER(iwp) :: init_aerosol_type = 0 !< Initial size distribution type
405	!< 0 = uniform (read from PARIN)
406	!< 1 = read vertical profiles from an input file
407	INTEGER(iwp) :: init_gases_type = 0 !< Initial gas concentration type
408	!< 0 = uniform (read from PARIN)
409	!< 1 = read vertical profiles from an input file
410	INTEGER(iwp) :: lod_gas_emissions = 0 !< level of detail of the gaseous emission data
411	INTEGER(iwp) :: main_street_id = 0 !< lower bound of main street IDs for parameterized emission mode
412	INTEGER(iwp) :: max_street_id = 0 !< upper bound of main street IDs for parameterized emission mode
413	INTEGER(iwp) :: nbins_aerosol = 1 !< total number of size bins
414	INTEGER(iwp) :: ncc = 1 !< number of chemical components used
415	INTEGER(iwp) :: ncomponents_mass = 1 !< total number of chemical compounds (ncc+1)
416	!< if particle water is advected)
417	INTEGER(iwp) :: nj3 = 1 !< J3 parametrization (nucleation)
418	!< 1 = condensational sink (Kerminen&Kulmala, 2002)
419	!< 2 = coagulational sink (Lehtinen et al. 2007)
420	!< 3 = coagS+self-coagulation (Anttila et al. 2010)
421	INTEGER(iwp) :: nsnucl = 0 !< Choice of the nucleation scheme:
422	!< 0 = off
423	!< 1 = binary nucleation
424	!< 2 = activation type nucleation
425	!< 3 = kinetic nucleation
426	!< 4 = ternary nucleation
427	!< 5 = nucleation with ORGANICs
428	!< 6 = activation type of nucleation with H2SO4+ORG
429	!< 7 = heteromolecular nucleation with H2SO4*ORG
430	!< 8 = homomolecular nucleation of H2SO4
431	!< + heteromolecular nucleation with H2SO4*ORG
432	!< 9 = homomolecular nucleation of H2SO4 and ORG
433	!< + heteromolecular nucleation with H2SO4*ORG
434	INTEGER(iwp) :: salsa_pr_count = 0 !< counter for salsa variable profiles
435	INTEGER(iwp) :: season_z01 = 1 !< For dry deposition by Zhang et al.: 1 = summer,
436	!< 2 = autumn (no harvest yet), 3 = late autumn
437	!< (already frost), 4 = winter, 5 = transitional spring
438	INTEGER(iwp) :: side_street_id = 0 !< lower bound of side street IDs for parameterized emission mode
439	INTEGER(iwp) :: start_subrange_1a = 1 !< start index for bin subranges: subrange 1a
440	INTEGER(iwp) :: start_subrange_2a = 1 !< subrange 2a
441	INTEGER(iwp) :: start_subrange_2b = 1 !< subrange 2b
442
443	INTEGER(iwp), DIMENSION(nreg) :: nbin = (/ 3, 7/) !< Number of size bins per subrange: 1 & 2
444
445	INTEGER(iwp), DIMENSION(ngases_salsa) :: gas_index_chem = (/ 1, 1, 1, 1, 1/) !< gas indices in chemistry_model_mod
446	!< 1 = H2SO4, 2 = HNO3,
447	!< 3 = NH3, 4 = OCNV, 5 = OCSV
448	INTEGER(iwp), DIMENSION(ngases_salsa) :: emission_index_chem !< gas indices in the gas emission file
449	INTEGER(iwp), DIMENSION(99) :: salsa_pr_index = 0 !< index for salsa profiles
450
451	INTEGER(iwp), DIMENSION(:,:), ALLOCATABLE :: k_topo_top !< vertical index of the topography top
452
453	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: salsa_advc_flags_s !< flags used to degrade order of advection
454	!< scheme for salsa variables near walls and
455	!< lateral boundaries
456	!
457	!-- SALSA switches:
458	LOGICAL :: advect_particle_water = .TRUE. !< Advect water concentration of particles
459	LOGICAL :: decycle_salsa_lr = .FALSE. !< Undo cyclic boundaries: left and right
460	LOGICAL :: decycle_salsa_ns = .FALSE. !< Undo cyclic boundaries: north and south
461	LOGICAL :: include_emission = .FALSE. !< Include or not emissions
462	LOGICAL :: feedback_to_palm = .FALSE. !< Allow feedback due to condensation of H2O
463	LOGICAL :: nesting_salsa = .TRUE. !< Apply nesting for salsa
464	LOGICAL :: nesting_offline_salsa = .TRUE. !< Apply offline nesting for salsa
465	LOGICAL :: no_insoluble = .FALSE. !< Exclude insoluble chemical components
466	LOGICAL :: read_restart_data_salsa = .FALSE. !< Read restart data for salsa
467	LOGICAL :: salsa_gases_from_chem = .FALSE. !< Transfer the gaseous components to SALSA
468	LOGICAL :: van_der_waals_coagc = .FALSE. !< Include van der Waals and viscous forces in coagulation
469	LOGICAL :: write_binary_salsa = .FALSE. !< read binary for salsa
470	!
471	!-- Process switches: nl* is read from the NAMELIST and is NOT changed.
472	!-- ls* is the switch used and will get the value of nl*
473	!-- except for special circumstances (spinup period etc.)
474	LOGICAL :: nlcoag = .FALSE. !< Coagulation master switch
475	LOGICAL :: lscoag = .FALSE. !<
476	LOGICAL :: nlcnd = .FALSE. !< Condensation master switch
477	LOGICAL :: lscnd = .FALSE. !<
478	LOGICAL :: nlcndgas = .FALSE. !< Condensation of precursor gases
479	LOGICAL :: lscndgas = .FALSE. !<
480	LOGICAL :: nlcndh2oae = .FALSE. !< Condensation of H2O on aerosol
481	LOGICAL :: lscndh2oae = .FALSE. !< particles (FALSE -> equilibrium calc.)
482	LOGICAL :: nldepo = .FALSE. !< Deposition master switch
483	LOGICAL :: lsdepo = .FALSE. !<
484	LOGICAL :: nldepo_surf = .FALSE. !< Deposition on vegetation master switch
485	LOGICAL :: lsdepo_surf = .FALSE. !<
486	LOGICAL :: nldepo_pcm = .FALSE. !< Deposition on walls master switch
487	LOGICAL :: lsdepo_pcm = .FALSE. !<
488	LOGICAL :: nldistupdate = .TRUE. !< Size distribution update master switch
489	LOGICAL :: lsdistupdate = .FALSE. !<
490	LOGICAL :: lspartition = .FALSE. !< Partition of HNO3 and NH3
491
492	REAL(wp) :: act_coeff = 1.0E-7_wp !< Activation coefficient (1/s)
493	REAL(wp) :: dt_salsa = 0.00001_wp !< Time step of SALSA
494	REAL(wp) :: emiss_factor_main = 0.0_wp !< relative emission factor for main streets
495	REAL(wp) :: emiss_factor_side = 0.0_wp !< relative emission factor for side streets
496	REAL(wp) :: h2so4_init = nclim !< Init value for sulphuric acid gas
497	REAL(wp) :: hno3_init = nclim !< Init value for nitric acid gas
498	REAL(wp) :: last_salsa_time = 0.0_wp !< previous salsa call
499	REAL(wp) :: next_aero_emission_update = 0.0_wp !< previous emission update
500	REAL(wp) :: next_gas_emission_update = 0.0_wp !< previous emission update
501	REAL(wp) :: nf2a = 1.0_wp !< Number fraction allocated to 2a-bins
502	REAL(wp) :: nh3_init = nclim !< Init value for ammonia gas
503	REAL(wp) :: ocnv_init = nclim !< Init value for non-volatile organic gases
504	REAL(wp) :: ocsv_init = nclim !< Init value for semi-volatile organic gases
505	REAL(wp) :: rhlim = 1.20_wp !< RH limit in %/100. Prevents unrealistical RH
506	REAL(wp) :: time_utc_init !< time in seconds-of-day of origin_date_time
507	REAL(wp) :: skip_time_do_salsa = 0.0_wp !< Starting time of SALSA (s)
508	!
509	!-- Initial log-normal size distribution: mode diameter (dpg, metres),
510	!-- standard deviation (sigmag) and concentration (n_lognorm, #/m3)
511	REAL(wp), DIMENSION(nmod) :: dpg = &
512	(/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/)
513	REAL(wp), DIMENSION(nmod) :: sigmag = &
514	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
515	REAL(wp), DIMENSION(nmod) :: n_lognorm = &
516	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
517	!
518	!-- Initial mass fractions / chemical composition of the size distribution
519	REAL(wp), DIMENSION(maxspec) :: mass_fracs_a = & !< mass fractions between
520	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for A bins
521	REAL(wp), DIMENSION(maxspec) :: mass_fracs_b = & !< mass fractions between
522	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for B bins
523	REAL(wp), DIMENSION(nreg+1) :: reglim = & !< Min&max diameters of size subranges
524	(/ 3.0E-9_wp, 5.0E-8_wp, 1.0E-5_wp/)
525	!
526	!-- Initial log-normal size distribution: mode diameter (dpg, metres), standard deviation (sigmag)
527	!-- concentration (n_lognorm, #/m3) and mass fractions of all chemical components (listed in
528	!-- listspec) for both a (soluble) and b (insoluble) bins.
529	REAL(wp), DIMENSION(nmod) :: aerosol_flux_dpg = &
530	(/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/)
531	REAL(wp), DIMENSION(nmod) :: aerosol_flux_sigmag = &
532	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
533	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_a = &
534	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
535	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_b = &
536	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
537	REAL(wp), DIMENSION(nmod) :: surface_aerosol_flux = &
538	(/1.0E+8_wp, 1.0E+9_wp, 1.0E+5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
539
540	REAL(wp), DIMENSION(:), ALLOCATABLE :: bin_low_limits !< to deliver information about
541	!< the lower diameters per bin
542	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_am_t_val !< vertical gradient of: aerosol mass
543	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_an_t_val !< of: aerosol number
544	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_gt_t_val !< salsa gases near domain top
545	REAL(wp), DIMENSION(:), ALLOCATABLE :: gas_emission_time !< Time array in gas emission data (s)
546	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect !< Background number concentrations
547	REAL(wp), DIMENSION(:), ALLOCATABLE :: massacc !< Mass accomodation coefficients
548	!
549	!-- SALSA derived datatypes:
550	!
551	!-- Component index
552	TYPE component_index
553	CHARACTER(len=3), ALLOCATABLE :: comp(:) !< Component name
554	INTEGER(iwp) :: ncomp !< Number of components
555	INTEGER(iwp), ALLOCATABLE :: ind(:) !< Component index
556	END TYPE component_index
557	!
558	!-- For matching LSM and USM surface types and the deposition module surface types
559	TYPE match_surface
560	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_lupg !< index for pavement / green roofs
561	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_luvw !< index for vegetation / walls
562	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_luww !< index for water / windows
563	END TYPE match_surface
564	!
565	!-- Aerosol emission data attributes
566	TYPE salsa_emission_attribute_type
567
568	CHARACTER(LEN=25) :: units
569
570	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cat_name !<
571	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !<
572	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: unit_time !<
573	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !<
574
575	INTEGER(iwp) :: lod = 0 !< level of detail
576	INTEGER(iwp) :: nbins = 10 !< number of aerosol size bins
577	INTEGER(iwp) :: ncat = 0 !< number of emission categories
578	INTEGER(iwp) :: ncc = 7 !< number of aerosol chemical components
579	INTEGER(iwp) :: nhoursyear = 0 !< number of hours: HOURLY mode
580	INTEGER(iwp) :: nmonthdayhour = 0 !< number of month days and hours: MDH mode
581	INTEGER(iwp) :: num_vars !< number of variables
582	INTEGER(iwp) :: nt = 0 !< number of time steps
583	INTEGER(iwp) :: nz = 0 !< number of vertical levels
584	INTEGER(iwp) :: tind !< time index for reference time in salsa emission data
585
586	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod = 0 !<
587
588	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cat_index !< Index of emission categories
589	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cc_index !< Index of chemical components
590
591	REAL(wp) :: conversion_factor !< unit conversion factor for aerosol emissions
592
593	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< mean diameters of size bins (m)
594	REAL(wp), DIMENSION(:), ALLOCATABLE :: rho !< average density (kg/m3)
595	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time (s)
596	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
597	REAL(wp), DIMENSION(:), ALLOCATABLE :: z !< height (m)
598
599	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: etf !< emission time factor
600	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: stack_height
601
602	END TYPE salsa_emission_attribute_type
603	!
604	!-- The default size distribution and mass composition per emission category:
605	!-- 1 = traffic, 2 = road dust, 3 = wood combustion, 4 = other
606	!-- Mass fractions: H2SO4, OC, BC, DU, SS, HNO3, NH3
607	TYPE salsa_emission_mode_type
608
609	INTEGER(iwp) :: ndm = 3 !< number of default modes
610	INTEGER(iwp) :: ndc = 4 !< number of default categories
611
612	CHARACTER(LEN=25), DIMENSION(1:4) :: cat_name_table = (/'traffic exhaust', &
613	'road dust ', &
614	'wood combustion', &
615	'other '/)
616
617	INTEGER(iwp), DIMENSION(1:4) :: cat_input_to_model !<
618
619	REAL(wp), DIMENSION(1:3) :: dpg_table = (/ 13.5E-9_wp, 1.4E-6_wp, 5.4E-8_wp/) !<
620	REAL(wp), DIMENSION(1:3) :: ntot_table !<
621	REAL(wp), DIMENSION(1:3) :: sigmag_table = (/ 1.6_wp, 1.4_wp, 1.7_wp /) !<
622
623	REAL(wp), DIMENSION(1:maxspec,1:4) :: mass_frac_table = & !<
624	RESHAPE( (/ 0.04_wp, 0.48_wp, 0.48_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
625	0.0_wp, 0.05_wp, 0.0_wp, 0.95_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
626	0.0_wp, 0.5_wp, 0.5_wp, 0.0_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	/), (/maxspec,4/) )
629
630	REAL(wp), DIMENSION(1:3,1:4) :: pm_frac_table = & !< rel. mass
631	RESHAPE( (/ 0.016_wp, 0.000_wp, 0.984_wp, &
632	0.000_wp, 1.000_wp, 0.000_wp, &
633	0.000_wp, 0.000_wp, 1.000_wp, &
634	1.000_wp, 0.000_wp, 1.000_wp &
635	/), (/3,4/) )
636
637	END TYPE salsa_emission_mode_type
638	!
639	!-- Aerosol emission data values
640	TYPE salsa_emission_value_type
641
642	REAL(wp) :: fill !< fill value
643
644	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: mass_fracs !< mass fractions per emis. category
645	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: num_fracs !< number fractions per emis. category
646
647	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: def_data !< surface emission in PM
648	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: preproc_data !< surface emission per category
649
650	END TYPE salsa_emission_value_type
651	!
652	!-- Offline nesting data type
653	TYPE salsa_nest_offl_type
654
655	CHARACTER(LEN=16) :: char_l = 'ls_forcing_left_' !< leading substring at left boundary
656	CHARACTER(LEN=17) :: char_n = 'ls_forcing_north_' !< leading substring at north boundary
657	CHARACTER(LEN=17) :: char_r = 'ls_forcing_right_' !< leading substring at right boundary
658	CHARACTER(LEN=17) :: char_s = 'ls_forcing_south_' !< leading substring at south boundary
659	CHARACTER(LEN=15) :: char_t = 'ls_forcing_top_' !< leading substring at top boundary
660
661	CHARACTER(LEN=5), DIMENSION(1:ngases_salsa) :: gas_name = (/'H2SO4','HNO3 ','NH3 ','OCNV ','OCSV '/)
662
663	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
664	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< list of variable names
665
666	INTEGER(iwp) :: id_dynamic !< NetCDF id of dynamic input file
667	INTEGER(iwp) :: ncc !< number of aerosol chemical components
668	INTEGER(iwp) :: nt !< number of time levels in dynamic input file
669	INTEGER(iwp) :: nzu !< number of vertical levels on scalar grid in dynamic input file
670	INTEGER(iwp) :: tind !< time index for reference time in mesoscale-offline nesting
671	INTEGER(iwp) :: tind_p !< time index for following time in mesoscale-offline nesting
672
673	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod = 0 !< to transfer chemical composition from input to model
674
675	LOGICAL :: init = .FALSE. !< flag indicating the initialisation of offline nesting
676
677	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< vertical profile of aerosol bin diameters
678	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time in dynamic input file
679	REAL(wp), DIMENSION(:), ALLOCATABLE :: zu_atmos !< zu in dynamic input file
680
681	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_left !< gas conc. at left boundary
682	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_north !< gas conc. at north boundary
683	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_right !< gas conc. at right boundary
684	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_south !< gas conc. at south boundary
685	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: gconc_top !< gas conc.at top boundary
686	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_left !< aerosol mass conc. at left boundary
687	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_north !< aerosol mass conc. at north boundary
688	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_right !< aerosol mass conc. at right boundary
689	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_south !< aerosol mass conc. at south boundary
690	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mconc_top !< aerosol mass conc. at top boundary
691	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_left !< aerosol number conc. at left boundary
692	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_north !< aerosol number conc. at north boundary
693	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_right !< aerosol number conc. at right boundary
694	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_south !< aerosol number conc. at south boundary
695	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: nconc_top !< aerosol number conc. at top boundary
696
697	END TYPE salsa_nest_offl_type
698	!
699	!-- Prognostic variable: Aerosol size bin information (number (#/m3) and mass (kg/m3) concentration)
700	!-- and the concentration of gaseous tracers (#/m3). Gas tracers are contained sequentially in
701	!-- dimension 4 as:
702	!-- 1. H2SO4, 2. HNO3, 3. NH3, 4. OCNV (non-volatile organics), 5. OCSV (semi-volatile)
703	TYPE salsa_variable
704
705	REAL(wp), DIMENSION(:), ALLOCATABLE :: init !<
706
707	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: diss_s !<
708	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: flux_s !<
709	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: source !<
710	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: sums_ws_l !<
711
712	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: diss_l !<
713	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: flux_l !<
714
715	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: conc !<
716	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: conc_p !<
717	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: tconc_m !<
718
719	END TYPE salsa_variable
720	!
721	!-- Datatype used to store information about the binned size distributions of aerosols
722	TYPE t_section
723
724	REAL(wp) :: dmid !< bin middle diameter (m)
725	REAL(wp) :: vhilim !< bin volume at the high limit
726	REAL(wp) :: vlolim !< bin volume at the low limit
727	REAL(wp) :: vratiohi !< volume ratio between the center and high limit
728	REAL(wp) :: vratiolo !< volume ratio between the center and low limit
729	!******************************************************
730	! ^ Do NOT change the stuff above after initialization !
731	!******************************************************
732	REAL(wp) :: core !< Volume of dry particle
733	REAL(wp) :: dwet !< Wet diameter or mean droplet diameter (m)
734	REAL(wp) :: numc !< Number concentration of particles/droplets (#/m3)
735	REAL(wp) :: veqh2o !< Equilibrium H2O concentration for each particle
736
737	REAL(wp), DIMENSION(maxspec+1) :: volc !< Volume concentrations (m^3/m^3) of aerosols +
738	!< water. Since most of the stuff in SALSA is hard
739	!< coded, these have to be in the order
740	!< 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
741	END TYPE t_section
742
743	TYPE(salsa_emission_attribute_type) :: aero_emission_att !< emission attributes
744	TYPE(salsa_emission_value_type) :: aero_emission !< emission values
745	TYPE(salsa_emission_mode_type) :: def_modes !< default emission modes
746
747	TYPE(chem_emis_att_type) :: chem_emission_att !< chemistry emission attributes
748
749	TYPE(chem_emis_val_type), DIMENSION(:), ALLOCATABLE :: chem_emission !< chemistry emissions
750
751	TYPE(t_section), DIMENSION(:), ALLOCATABLE :: aero !< local aerosol properties
752
753	TYPE(match_surface) :: lsm_to_depo_h !< to match the deposition module and horizontal LSM surfaces
754	TYPE(match_surface) :: usm_to_depo_h !< to match the deposition module and horizontal USM surfaces
755
756	TYPE(match_surface), DIMENSION(0:3) :: lsm_to_depo_v !< to match the deposition mod. and vertical LSM surfaces
757	TYPE(match_surface), DIMENSION(0:3) :: usm_to_depo_v !< to match the deposition mod. and vertical USM surfaces
758	!
759	!-- SALSA variables: as x = x(k,j,i,bin).
760	!-- The 4th dimension contains all the size bins sequentially for each aerosol species + water.
761	!
762	!-- Prognostic variables:
763	!
764	!-- Number concentration (#/m3)
765	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: aerosol_number !<
766	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_1 !<
767	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_2 !<
768	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_3 !<
769	!
770	!-- Mass concentration (kg/m3)
771	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: aerosol_mass !<
772	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_1 !<
773	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_2 !<
774	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_3 !<
775	!
776	!-- Gaseous concentrations (#/m3)
777	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: salsa_gas !<
778	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_1 !<
779	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_2 !<
780	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_3 !<
781	!
782	!-- Diagnostic tracers
783	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: sedim_vd !< sedimentation velocity per bin (m/s)
784	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: ra_dry !< aerosol dry radius (m)
785
786	!-- Particle component index tables
787	TYPE(component_index) :: prtcl !< Contains "getIndex" which gives the index for a given aerosol
788	!< component name: 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
789	!
790	!-- Offline nesting:
791	TYPE(salsa_nest_offl_type) :: salsa_nest_offl !< data structure for offline nesting
792	!
793	!-- Data output arrays:
794	!
795	!-- Gases:
796	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_h2so4_av !< H2SO4
797	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_hno3_av !< HNO3
798	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_nh3_av !< NH3
799	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_ocnv_av !< non-volatile OC
800	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_ocsv_av !< semi-volatile OC
801	!
802	!-- Integrated:
803	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: ldsa_av !< lung-deposited surface area
804	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: ntot_av !< total number concentration
805	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: nufp_av !< ultrafine particles (UFP)
806	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm01_av !< PM0.1
807	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm25_av !< PM2.5
808	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm10_av !< PM10
809	!
810	!-- In the particle phase:
811	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_bc_av !< black carbon
812	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_du_av !< dust
813	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_h2o_av !< liquid water
814	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_nh_av !< ammonia
815	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_no_av !< nitrates
816	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_oc_av !< org. carbon
817	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_so4_av !< sulphates
818	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_ss_av !< sea salt
819	!
820	!-- Bin specific mass and number concentrations:
821	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mbins_av !< bin mas
822	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nbins_av !< bin number
823
824	!
825	!-- PALM interfaces:
826
827	INTERFACE salsa_actions
828	MODULE PROCEDURE salsa_actions
829	MODULE PROCEDURE salsa_actions_ij
830	END INTERFACE salsa_actions
831
832	INTERFACE salsa_3d_data_averaging
833	MODULE PROCEDURE salsa_3d_data_averaging
834	END INTERFACE salsa_3d_data_averaging
835
836	INTERFACE salsa_boundary_conds
837	MODULE PROCEDURE salsa_boundary_conds
838	MODULE PROCEDURE salsa_boundary_conds_decycle
839	END INTERFACE salsa_boundary_conds
840
841	INTERFACE salsa_boundary_conditions
842	MODULE PROCEDURE salsa_boundary_conditions
843	END INTERFACE salsa_boundary_conditions
844
845	INTERFACE salsa_check_data_output
846	MODULE PROCEDURE salsa_check_data_output
847	END INTERFACE salsa_check_data_output
848
849	INTERFACE salsa_check_data_output_pr
850	MODULE PROCEDURE salsa_check_data_output_pr
851	END INTERFACE salsa_check_data_output_pr
852
853	INTERFACE salsa_check_parameters
854	MODULE PROCEDURE salsa_check_parameters
855	END INTERFACE salsa_check_parameters
856
857	INTERFACE salsa_data_output_2d
858	MODULE PROCEDURE salsa_data_output_2d
859	END INTERFACE salsa_data_output_2d
860
861	INTERFACE salsa_data_output_3d
862	MODULE PROCEDURE salsa_data_output_3d
863	END INTERFACE salsa_data_output_3d
864
865	INTERFACE salsa_data_output_mask
866	MODULE PROCEDURE salsa_data_output_mask
867	END INTERFACE salsa_data_output_mask
868
869	INTERFACE salsa_define_netcdf_grid
870	MODULE PROCEDURE salsa_define_netcdf_grid
871	END INTERFACE salsa_define_netcdf_grid
872
873	INTERFACE salsa_emission_update
874	MODULE PROCEDURE salsa_emission_update
875	END INTERFACE salsa_emission_update
876
877	INTERFACE salsa_exchange_horiz_bounds
878	MODULE PROCEDURE salsa_exchange_horiz_bounds
879	END INTERFACE salsa_exchange_horiz_bounds
880
881	INTERFACE salsa_header
882	MODULE PROCEDURE salsa_header
883	END INTERFACE salsa_header
884
885	INTERFACE salsa_init
886	MODULE PROCEDURE salsa_init
887	END INTERFACE salsa_init
888
889	INTERFACE salsa_init_arrays
890	MODULE PROCEDURE salsa_init_arrays
891	END INTERFACE salsa_init_arrays
892
893	INTERFACE salsa_nesting_offl_bc
894	MODULE PROCEDURE salsa_nesting_offl_bc
895	END INTERFACE salsa_nesting_offl_bc
896
897	INTERFACE salsa_nesting_offl_init
898	MODULE PROCEDURE salsa_nesting_offl_init
899	END INTERFACE salsa_nesting_offl_init
900
901	INTERFACE salsa_nesting_offl_input
902	MODULE PROCEDURE salsa_nesting_offl_input
903	END INTERFACE salsa_nesting_offl_input
904
905	INTERFACE salsa_non_advective_processes
906	MODULE PROCEDURE salsa_non_advective_processes
907	MODULE PROCEDURE salsa_non_advective_processes_ij
908	END INTERFACE salsa_non_advective_processes
909
910	INTERFACE salsa_parin
911	MODULE PROCEDURE salsa_parin
912	END INTERFACE salsa_parin
913
914	INTERFACE salsa_prognostic_equations
915	MODULE PROCEDURE salsa_prognostic_equations
916	MODULE PROCEDURE salsa_prognostic_equations_ij
917	END INTERFACE salsa_prognostic_equations
918
919	INTERFACE salsa_rrd_local
920	MODULE PROCEDURE salsa_rrd_local
921	END INTERFACE salsa_rrd_local
922
923	INTERFACE salsa_statistics
924	MODULE PROCEDURE salsa_statistics
925	END INTERFACE salsa_statistics
926
927	INTERFACE salsa_swap_timelevel
928	MODULE PROCEDURE salsa_swap_timelevel
929	END INTERFACE salsa_swap_timelevel
930
931	INTERFACE salsa_tendency
932	MODULE PROCEDURE salsa_tendency
933	MODULE PROCEDURE salsa_tendency_ij
934	END INTERFACE salsa_tendency
935
936	INTERFACE salsa_wrd_local
937	MODULE PROCEDURE salsa_wrd_local
938	END INTERFACE salsa_wrd_local
939
940
941	SAVE
942
943	PRIVATE
944	!
945	!-- Public functions:
946	PUBLIC salsa_3d_data_averaging, &
947	salsa_actions, &
948	salsa_boundary_conds, &
949	salsa_boundary_conditions, &
950	salsa_check_data_output, &
951	salsa_check_data_output_pr, &
952	salsa_check_parameters, &
953	salsa_data_output_2d, &
954	salsa_data_output_3d, &
955	salsa_data_output_mask, &
956	salsa_define_netcdf_grid, &
957	salsa_diagnostics, &
958	salsa_emission_update, &
959	salsa_exchange_horiz_bounds, &
960	salsa_header, &
961	salsa_init, &
962	salsa_init_arrays, &
963	salsa_nesting_offl_bc, &
964	salsa_nesting_offl_init, &
965	salsa_nesting_offl_input, &
966	salsa_non_advective_processes, &
967	salsa_parin, &
968	salsa_prognostic_equations, &
969	salsa_rrd_local, &
970	salsa_statistics, &
971	salsa_swap_timelevel, &
972	salsa_wrd_local
973
974	!
975	!-- Public parameters, constants and initial values
976	PUBLIC bc_am_t_val, &
977	bc_an_t_val, &
978	bc_gt_t_val, &
979	ibc_salsa_b, &
980	init_aerosol_type, &
981	init_gases_type, &
982	nesting_salsa, &
983	nesting_offline_salsa, &
984	salsa_gases_from_chem, &
985	skip_time_do_salsa
986	!
987	!-- Public variables
988	PUBLIC aerosol_mass, &
989	aerosol_number, &
990	gconc_2, &
991	mconc_2, &
992	nbins_aerosol, &
993	ncomponents_mass, &
994	nconc_2, &
995	ngases_salsa, &
996	salsa_gas, &
997	salsa_nest_offl
998
999
1000	CONTAINS
1001
1002	!------------------------------------------------------------------------------!
1003	! Description:
1004	! ------------
1005	!> Parin for &salsa_par for new modules
1006	!------------------------------------------------------------------------------!
1007	SUBROUTINE salsa_parin
1008
1009	USE control_parameters, &
1010	ONLY: data_output_pr
1011
1012	IMPLICIT NONE
1013
1014	CHARACTER(LEN=80) :: line !< dummy string that contains the current line of parameter file
1015
1016	INTEGER(iwp) :: i !< loop index
1017	INTEGER(iwp) :: max_pr_salsa_tmp !< dummy variable
1018
1019	NAMELIST /salsa_parameters/ aerosol_flux_dpg, &
1020	aerosol_flux_mass_fracs_a, &
1021	aerosol_flux_mass_fracs_b, &
1022	aerosol_flux_sigmag, &
1023	advect_particle_water, &
1024	bc_salsa_b, &
1025	bc_salsa_t, &
1026	decycle_salsa_lr, &
1027	decycle_method_salsa, &
1028	decycle_salsa_ns, &
1029	depo_pcm_par, &
1030	depo_pcm_type, &
1031	depo_surf_par, &
1032	dpg, &
1033	dt_salsa, &
1034	emiss_factor_main, &
1035	emiss_factor_side, &
1036	feedback_to_palm, &
1037	h2so4_init, &
1038	hno3_init, &
1039	listspec, &
1040	main_street_id, &
1041	mass_fracs_a, &
1042	mass_fracs_b, &
1043	max_street_id, &
1044	n_lognorm, &
1045	nbin, &
1046	nesting_salsa, &
1047	nesting_offline_salsa, &
1048	nf2a, &
1049	nh3_init, &
1050	nj3, &
1051	nlcnd, &
1052	nlcndgas, &
1053	nlcndh2oae, &
1054	nlcoag, &
1055	nldepo, &
1056	nldepo_pcm, &
1057	nldepo_surf, &
1058	nldistupdate, &
1059	nsnucl, &
1060	ocnv_init, &
1061	ocsv_init, &
1062	read_restart_data_salsa, &
1063	reglim, &
1064	salsa, &
1065	salsa_emission_mode, &
1066	season_z01, &
1067	sigmag, &
1068	side_street_id, &
1069	skip_time_do_salsa, &
1070	surface_aerosol_flux, &
1071	van_der_waals_coagc, &
1072	write_binary_salsa
1073
1074	line = ' '
1075	!
1076	!-- Try to find salsa package
1077	REWIND ( 11 )
1078	line = ' '
1079	DO WHILE ( INDEX( line, '&salsa_parameters' ) == 0 )
1080	READ ( 11, '(A)', END=10 ) line
1081	ENDDO
1082	BACKSPACE ( 11 )
1083	!
1084	!-- Read user-defined namelist
1085	READ ( 11, salsa_parameters )
1086	!
1087	!-- Enable salsa (salsa switch in modules.f90)
1088	salsa = .TRUE.
1089
1090	10 CONTINUE
1091	!
1092	!-- Update the number of output profiles
1093	max_pr_salsa_tmp = 0
1094	i = 1
1095	DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 )
1096	IF ( TRIM( data_output_pr(i)(1:6) ) == 'salsa_' ) max_pr_salsa_tmp = max_pr_salsa_tmp + 1
1097	i = i + 1
1098	ENDDO
1099	IF ( max_pr_salsa_tmp > 0 ) max_pr_salsa = max_pr_salsa_tmp
1100
1101	END SUBROUTINE salsa_parin
1102
1103	!------------------------------------------------------------------------------!
1104	! Description:
1105	! ------------
1106	!> Check parameters routine for salsa.
1107	!------------------------------------------------------------------------------!
1108	SUBROUTINE salsa_check_parameters
1109
1110	USE control_parameters, &
1111	ONLY: child_domain, humidity, initializing_actions, nesting_offline
1112
1113	IMPLICIT NONE
1114
1115	!
1116	!-- Check that humidity is switched on
1117	IF ( salsa .AND. .NOT. humidity ) THEN
1118	WRITE( message_string, * ) 'salsa = ', salsa, ' is not allowed with humidity = ', humidity
1119	CALL message( 'salsa_check_parameters', 'PA0594', 1, 2, 0, 6, 0 )
1120	ENDIF
1121	!
1122	!-- For nested runs, explicitly set nesting boundary conditions.
1123	IF ( nesting_salsa .AND. child_domain ) bc_salsa_t = 'nested'
1124	!
1125	!-- Set boundary conditions also in case the model is offline-nested in larger-scale models.
1126	IF ( nesting_offline ) THEN
1127	IF ( nesting_offline_salsa ) THEN
1128	bc_salsa_t = 'nesting_offline'
1129	ELSE
1130	bc_salsa_t = 'neumann'
1131	ENDIF
1132	ENDIF
1133	!
1134	!-- Set bottom boundary condition flag
1135	IF ( bc_salsa_b == 'dirichlet' ) THEN
1136	ibc_salsa_b = 0
1137	ELSEIF ( bc_salsa_b == 'neumann' ) THEN
1138	ibc_salsa_b = 1
1139	ELSE
1140	message_string = 'unknown boundary condition: bc_salsa_b = "' // TRIM( bc_salsa_t ) // '"'
1141	CALL message( 'salsa_check_parameters', 'PA0595', 1, 2, 0, 6, 0 )
1142	ENDIF
1143	!
1144	!-- Set top boundary conditions flag
1145	IF ( bc_salsa_t == 'dirichlet' ) THEN
1146	ibc_salsa_t = 0
1147	ELSEIF ( bc_salsa_t == 'neumann' ) THEN
1148	ibc_salsa_t = 1
1149	ELSEIF ( bc_salsa_t == 'initial_gradient' ) THEN
1150	ibc_salsa_t = 2
1151	ELSEIF ( bc_salsa_t == 'nested' .OR. bc_salsa_t == 'nesting_offline' ) THEN
1152	ibc_salsa_t = 3
1153	ELSE
1154	message_string = 'unknown boundary condition: bc_salsa_t = "' // TRIM( bc_salsa_t ) // '"'
1155	CALL message( 'salsa_check_parameters', 'PA0596', 1, 2, 0, 6, 0 )
1156	ENDIF
1157	!
1158	!-- Check J3 parametrisation
1159	IF ( nj3 < 1 .OR. nj3 > 3 ) THEN
1160	message_string = 'unknown nj3 (must be 1-3)'
1161	CALL message( 'salsa_check_parameters', 'PA0597', 1, 2, 0, 6, 0 )
1162	ENDIF
1163	!
1164	!-- Check bottom boundary condition in case of surface emissions
1165	IF ( salsa_emission_mode /= 'no_emission' .AND. ibc_salsa_b == 0 ) THEN
1166	message_string = 'salsa_emission_mode /= "no_emission" requires bc_salsa_b = "Neumann"'
1167	CALL message( 'salsa_check_parameters','PA0598', 1, 2, 0, 6, 0 )
1168	ENDIF
1169	!
1170	!-- Check whether emissions are applied
1171	IF ( salsa_emission_mode /= 'no_emission' ) include_emission = .TRUE.
1172	!
1173	!-- Set the initialisation type: background concentration are read from PIDS_DYNAMIC if
1174	!-- initializing_actions = 'inifor set_constant_profiles'
1175	IF ( INDEX( initializing_actions, 'inifor' ) /= 0 ) THEN
1176	init_aerosol_type = 1
1177	init_gases_type = 1
1178	ENDIF
1179
1180	END SUBROUTINE salsa_check_parameters
1181
1182	!------------------------------------------------------------------------------!
1183	!
1184	! Description:
1185	! ------------
1186	!> Subroutine defining appropriate grid for netcdf variables.
1187	!> It is called out from subroutine netcdf.
1188	!> Same grid as for other scalars (see netcdf_interface_mod.f90)
1189	!------------------------------------------------------------------------------!
1190	SUBROUTINE salsa_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
1191
1192	IMPLICIT NONE
1193
1194	CHARACTER(LEN=*), INTENT(OUT) :: grid_x !<
1195	CHARACTER(LEN=*), INTENT(OUT) :: grid_y !<
1196	CHARACTER(LEN=*), INTENT(OUT) :: grid_z !<
1197	CHARACTER(LEN=*), INTENT(IN) :: var !<
1198
1199	LOGICAL, INTENT(OUT) :: found !<
1200
1201	found = .TRUE.
1202	!
1203	!-- Check for the grid
1204
1205	IF ( var(1:6) == 'salsa_' ) THEN ! same grid for all salsa output variables
1206	grid_x = 'x'
1207	grid_y = 'y'
1208	grid_z = 'zu'
1209	ELSE
1210	found = .FALSE.
1211	grid_x = 'none'
1212	grid_y = 'none'
1213	grid_z = 'none'
1214	ENDIF
1215
1216	END SUBROUTINE salsa_define_netcdf_grid
1217
1218	!------------------------------------------------------------------------------!
1219	! Description:
1220	! ------------
1221	!> Header output for new module
1222	!------------------------------------------------------------------------------!
1223	SUBROUTINE salsa_header( io )
1224
1225	USE indices, &
1226	ONLY: nx, ny, nz
1227
1228	IMPLICIT NONE
1229
1230	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
1231	!
1232	!-- Write SALSA header
1233	WRITE( io, 1 )
1234	WRITE( io, 2 ) skip_time_do_salsa
1235	WRITE( io, 3 ) dt_salsa
1236	WRITE( io, 4 ) nz, ny, nx, nbins_aerosol
1237	IF ( advect_particle_water ) THEN
1238	WRITE( io, 5 ) nz, ny, nx, ncomponents_mass*nbins_aerosol, advect_particle_water
1239	ELSE
1240	WRITE( io, 5 ) nz, ny, nx, ncc*nbins_aerosol, advect_particle_water
1241	ENDIF
1242	IF ( .NOT. salsa_gases_from_chem ) THEN
1243	WRITE( io, 6 ) nz, ny, nx, ngases_salsa, salsa_gases_from_chem
1244	ENDIF
1245	WRITE( io, 7 )
1246	IF ( nsnucl > 0 ) WRITE( io, 8 ) nsnucl, nj3
1247	IF ( nlcoag ) WRITE( io, 9 )
1248	IF ( nlcnd ) WRITE( io, 10 ) nlcndgas, nlcndh2oae
1249	IF ( lspartition ) WRITE( io, 11 )
1250	IF ( nldepo ) WRITE( io, 12 ) nldepo_pcm, nldepo_surf
1251	WRITE( io, 13 ) reglim, nbin, bin_low_limits
1252	IF ( init_aerosol_type == 0 ) WRITE( io, 14 ) nsect
1253	WRITE( io, 15 ) ncc, listspec, mass_fracs_a, mass_fracs_b
1254	IF ( .NOT. salsa_gases_from_chem ) THEN
1255	WRITE( io, 16 ) ngases_salsa, h2so4_init, hno3_init, nh3_init, ocnv_init, ocsv_init
1256	ENDIF
1257	WRITE( io, 17 ) init_aerosol_type, init_gases_type
1258	IF ( init_aerosol_type == 0 ) THEN
1259	WRITE( io, 18 ) dpg, sigmag, n_lognorm
1260	ELSE
1261	WRITE( io, 19 )
1262	ENDIF
1263	IF ( nesting_salsa ) WRITE( io, 20 ) nesting_salsa
1264	IF ( nesting_offline_salsa ) WRITE( io, 21 ) nesting_offline_salsa
1265	WRITE( io, 22 ) salsa_emission_mode
1266	IF ( salsa_emission_mode == 'uniform' ) THEN
1267	WRITE( io, 23 ) surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
1268	aerosol_flux_mass_fracs_a
1269	ENDIF
1270	IF ( SUM( aerosol_flux_mass_fracs_b ) > 0.0_wp .OR. salsa_emission_mode == 'read_from_file' ) &
1271	THEN
1272	WRITE( io, 24 )
1273	ENDIF
1274
1275	1 FORMAT (//' SALSA information:'/ &
1276	' ------------------------------'/)
1277	2 FORMAT (' Starts at: skip_time_do_salsa = ', F10.2, ' s')
1278	3 FORMAT (/' Timestep: dt_salsa = ', F6.2, ' s')
1279	4 FORMAT (/' Array shape (z,y,x,bins):'/ &
1280	' aerosol_number: ', 4(I3))
1281	5 FORMAT (/' aerosol_mass: ', 4(I3),/ &
1282	' (advect_particle_water = ', L1, ')')
1283	6 FORMAT (' salsa_gas: ', 4(I3),/ &
1284	' (salsa_gases_from_chem = ', L1, ')')
1285	7 FORMAT (/' Aerosol dynamic processes included: ')
1286	8 FORMAT (/' nucleation (scheme = ', I1, ' and J3 parametrization = ', I1, ')')
1287	9 FORMAT (/' coagulation')
1288	10 FORMAT (/' condensation (of precursor gases = ', L1, ' and water vapour = ', L1, ')' )
1289	11 FORMAT (/' dissolutional growth by HNO3 and NH3')
1290	12 FORMAT (/' dry deposition (on vegetation = ', L1, ' and on topography = ', L1, ')')
1291	13 FORMAT (/' Aerosol bin subrange limits (in metres): ', 3(ES10.2E3), / &
1292	' Number of size bins for each aerosol subrange: ', 2I3,/ &
1293	' Aerosol bin limits (in metres): ', 9(ES10.2E3))
1294	14 FORMAT (' Initial number concentration in bins at the lowest level (#/m**3):', 9(ES10.2E3))
1295	15 FORMAT (/' Number of chemical components used: ', I1,/ &
1296	' Species: ',7(A6),/ &
1297	' Initial relative contribution of each species to particle volume in:',/ &
1298	' a-bins: ', 7(F6.3),/ &
1299	' b-bins: ', 7(F6.3))
1300	16 FORMAT (/' Number of gaseous tracers used: ', I1,/ &
1301	' Initial gas concentrations:',/ &
1302	' H2SO4: ',ES12.4E3, ' #/m**3',/ &
1303	' HNO3: ',ES12.4E3, ' #/m**3',/ &
1304	' NH3: ',ES12.4E3, ' #/m**3',/ &
1305	' OCNV: ',ES12.4E3, ' #/m**3',/ &
1306	' OCSV: ',ES12.4E3, ' #/m**3')
1307	17 FORMAT (/' Initialising concentrations: ', / &
1308	' Aerosol size distribution: init_aerosol_type = ', I1,/ &
1309	' Gas concentrations: init_gases_type = ', I1 )
1310	18 FORMAT ( ' Mode diametres: dpg(nmod) = ', 7(F7.3), ' (m)', / &
1311	' Standard deviation: sigmag(nmod) = ', 7(F7.2),/ &
1312	' Number concentration: n_lognorm(nmod) = ', 7(ES12.4E3), ' (#/m3)' )
1313	19 FORMAT (/' Size distribution read from a file.')
1314	20 FORMAT (/' Nesting for salsa variables: ', L1 )
1315	21 FORMAT (/' Offline nesting for salsa variables: ', L1 )
1316	22 FORMAT (/' Emissions: salsa_emission_mode = ', A )
1317	23 FORMAT (/' surface_aerosol_flux = ', ES12.4E3, ' #/m**2/s', / &
1318	' aerosol_flux_dpg = ', 7(F7.3), ' (m)', / &
1319	' aerosol_flux_sigmag = ', 7(F7.2), / &
1320	' aerosol_mass_fracs_a = ', 7(ES12.4E3) )
1321	24 FORMAT (/' (currently all emissions are soluble!)')
1322
1323	END SUBROUTINE salsa_header
1324
1325	!------------------------------------------------------------------------------!
1326	! Description:
1327	! ------------
1328	!> Allocate SALSA arrays and define pointers if required
1329	!------------------------------------------------------------------------------!
1330	SUBROUTINE salsa_init_arrays
1331
1332	USE advec_ws, &
1333	ONLY: ws_init_flags_scalar
1334
1335	USE surface_mod, &
1336	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
1337
1338	IMPLICIT NONE
1339
1340	INTEGER(iwp) :: gases_available !< Number of available gas components in the chemistry model
1341	INTEGER(iwp) :: i !< loop index for allocating
1342	INTEGER(iwp) :: ii !< index for indexing chemical components
1343	INTEGER(iwp) :: l !< loop index for allocating: surfaces
1344	INTEGER(iwp) :: lsp !< loop index for chem species in the chemistry model
1345
1346	gases_available = 0
1347	!
1348	!-- Allocate prognostic variables (see salsa_swap_timelevel)
1349	!
1350	!-- Set derived indices:
1351	!-- (This does the same as the subroutine salsa_initialize in SALSA/UCLALES-SALSA)
1352	start_subrange_1a = 1 ! 1st index of subrange 1a
1353	start_subrange_2a = start_subrange_1a + nbin(1) ! 1st index of subrange 2a
1354	end_subrange_1a = start_subrange_2a - 1 ! last index of subrange 1a
1355	end_subrange_2a = end_subrange_1a + nbin(2) ! last index of subrange 2a
1356
1357	!
1358	!-- If the fraction of insoluble aerosols in subrange 2 is zero: do not allocate arrays for them
1359	IF ( nf2a > 0.999999_wp .AND. SUM( mass_fracs_b ) < 0.00001_wp ) THEN
1360	no_insoluble = .TRUE.
1361	start_subrange_2b = end_subrange_2a+1 ! 1st index of subrange 2b
1362	end_subrange_2b = end_subrange_2a ! last index of subrange 2b
1363	ELSE
1364	start_subrange_2b = start_subrange_2a + nbin(2) ! 1st index of subrange 2b
1365	end_subrange_2b = end_subrange_2a + nbin(2) ! last index of subrange 2b
1366	ENDIF
1367
1368	nbins_aerosol = end_subrange_2b ! total number of aerosol size bins
1369	!
1370	!-- Create index tables for different aerosol components
1371	CALL component_index_constructor( prtcl, ncc, maxspec, listspec )
1372
1373	ncomponents_mass = ncc
1374	IF ( advect_particle_water ) ncomponents_mass = ncc + 1 ! Add water
1375	!
1376	!-- Indices for chemical components used (-1 = not used)
1377	ii = 0
1378	IF ( is_used( prtcl, 'SO4' ) ) THEN
1379	index_so4 = get_index( prtcl,'SO4' )
1380	ii = ii + 1
1381	ENDIF
1382	IF ( is_used( prtcl,'OC' ) ) THEN
1383	index_oc = get_index(prtcl, 'OC')
1384	ii = ii + 1
1385	ENDIF
1386	IF ( is_used( prtcl, 'BC' ) ) THEN
1387	index_bc = get_index( prtcl, 'BC' )
1388	ii = ii + 1
1389	ENDIF
1390	IF ( is_used( prtcl, 'DU' ) ) THEN
1391	index_du = get_index( prtcl, 'DU' )
1392	ii = ii + 1
1393	ENDIF
1394	IF ( is_used( prtcl, 'SS' ) ) THEN
1395	index_ss = get_index( prtcl, 'SS' )
1396	ii = ii + 1
1397	ENDIF
1398	IF ( is_used( prtcl, 'NO' ) ) THEN
1399	index_no = get_index( prtcl, 'NO' )
1400	ii = ii + 1
1401	ENDIF
1402	IF ( is_used( prtcl, 'NH' ) ) THEN
1403	index_nh = get_index( prtcl, 'NH' )
1404	ii = ii + 1
1405	ENDIF
1406	!
1407	!-- All species must be known
1408	IF ( ii /= ncc ) THEN
1409	message_string = 'Unknown aerosol species/component(s) given in the initialization'
1410	CALL message( 'salsa_mod: salsa_init', 'PA0600', 1, 2, 0, 6, 0 )
1411	ENDIF
1412	!
1413	!-- Allocate:
1414	ALLOCATE( aero(nbins_aerosol), bc_am_t_val(nbins_aerosol*ncomponents_mass), &
1415	bc_an_t_val(nbins_aerosol), bc_gt_t_val(ngases_salsa), bin_low_limits(nbins_aerosol),&
1416	nsect(nbins_aerosol), massacc(nbins_aerosol) )
1417	ALLOCATE( k_topo_top(nysg:nyng,nxlg:nxrg) )
1418	IF ( nldepo ) ALLOCATE( sedim_vd(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1419	ALLOCATE( ra_dry(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1420	!
1421	!-- Initialise the sectional particle size distribution
1422	CALL set_sizebins
1423	!
1424	!-- Aerosol number concentration
1425	ALLOCATE( aerosol_number(nbins_aerosol) )
1426	ALLOCATE( nconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1427	nconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1428	nconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1429	nconc_1 = 0.0_wp
1430	nconc_2 = 0.0_wp
1431	nconc_3 = 0.0_wp
1432
1433	DO i = 1, nbins_aerosol
1434	aerosol_number(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,i)
1435	aerosol_number(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,i)
1436	aerosol_number(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_3(:,:,:,i)
1437	ALLOCATE( aerosol_number(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1438	aerosol_number(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1439	aerosol_number(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1440	aerosol_number(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1441	aerosol_number(i)%init(nzb:nzt+1), &
1442	aerosol_number(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1443	aerosol_number(i)%init = nclim
1444	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1445	ALLOCATE( aerosol_number(i)%source(nys:nyn,nxl:nxr) )
1446	aerosol_number(i)%source = 0.0_wp
1447	ENDIF
1448	ENDDO
1449
1450	!
1451	!-- Aerosol mass concentration
1452	ALLOCATE( aerosol_mass(ncomponents_mass*nbins_aerosol) )
1453	ALLOCATE( mconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1454	mconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1455	mconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol) )
1456	mconc_1 = 0.0_wp
1457	mconc_2 = 0.0_wp
1458	mconc_3 = 0.0_wp
1459
1460	DO i = 1, ncomponents_mass*nbins_aerosol
1461	aerosol_mass(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,i)
1462	aerosol_mass(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,i)
1463	aerosol_mass(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_3(:,:,:,i)
1464	ALLOCATE( aerosol_mass(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1465	aerosol_mass(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1466	aerosol_mass(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1467	aerosol_mass(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1468	aerosol_mass(i)%init(nzb:nzt+1), &
1469	aerosol_mass(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1470	aerosol_mass(i)%init = mclim
1471	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1472	ALLOCATE( aerosol_mass(i)%source(nys:nyn,nxl:nxr) )
1473	aerosol_mass(i)%source = 0.0_wp
1474	ENDIF
1475	ENDDO
1476
1477	!
1478	!-- Surface fluxes: answs = aerosol number, amsws = aerosol mass
1479	!
1480	!-- Horizontal surfaces: default type
1481	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1482	ALLOCATE( surf_def_h(l)%answs( 1:surf_def_h(l)%ns, nbins_aerosol ) )
1483	ALLOCATE( surf_def_h(l)%amsws( 1:surf_def_h(l)%ns, nbins_aerosol*ncomponents_mass ) )
1484	surf_def_h(l)%answs = 0.0_wp
1485	surf_def_h(l)%amsws = 0.0_wp
1486	ENDDO
1487	!
1488	!-- Horizontal surfaces: natural type
1489	ALLOCATE( surf_lsm_h%answs( 1:surf_lsm_h%ns, nbins_aerosol ) )
1490	ALLOCATE( surf_lsm_h%amsws( 1:surf_lsm_h%ns, nbins_aerosol*ncomponents_mass ) )
1491	surf_lsm_h%answs = 0.0_wp
1492	surf_lsm_h%amsws = 0.0_wp
1493	!
1494	!-- Horizontal surfaces: urban type
1495	ALLOCATE( surf_usm_h%answs( 1:surf_usm_h%ns, nbins_aerosol ) )
1496	ALLOCATE( surf_usm_h%amsws( 1:surf_usm_h%ns, nbins_aerosol*ncomponents_mass ) )
1497	surf_usm_h%answs = 0.0_wp
1498	surf_usm_h%amsws = 0.0_wp
1499
1500	!
1501	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and westward (l=3) facing
1502	DO l = 0, 3
1503	ALLOCATE( surf_def_v(l)%answs( 1:surf_def_v(l)%ns, nbins_aerosol ) )
1504	surf_def_v(l)%answs = 0.0_wp
1505	ALLOCATE( surf_def_v(l)%amsws( 1:surf_def_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1506	surf_def_v(l)%amsws = 0.0_wp
1507
1508	ALLOCATE( surf_lsm_v(l)%answs( 1:surf_lsm_v(l)%ns, nbins_aerosol ) )
1509	surf_lsm_v(l)%answs = 0.0_wp
1510	ALLOCATE( surf_lsm_v(l)%amsws( 1:surf_lsm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1511	surf_lsm_v(l)%amsws = 0.0_wp
1512
1513	ALLOCATE( surf_usm_v(l)%answs( 1:surf_usm_v(l)%ns, nbins_aerosol ) )
1514	surf_usm_v(l)%answs = 0.0_wp
1515	ALLOCATE( surf_usm_v(l)%amsws( 1:surf_usm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1516	surf_usm_v(l)%amsws = 0.0_wp
1517
1518	ENDDO
1519
1520	!
1521	!-- Concentration of gaseous tracers (1. SO4, 2. HNO3, 3. NH3, 4. OCNV, 5. OCSV)
1522	!-- (number concentration (#/m3) )
1523	!
1524	!-- If chemistry is on, read gas phase concentrations from there. Otherwise,
1525	!-- allocate salsa_gas array.
1526
1527	IF ( air_chemistry ) THEN
1528	DO lsp = 1, nvar
1529	SELECT CASE ( TRIM( chem_species(lsp)%name ) )
1530	CASE ( 'H2SO4', 'h2so4' )
1531	gases_available = gases_available + 1
1532	gas_index_chem(1) = lsp
1533	CASE ( 'HNO3', 'hno3' )
1534	gases_available = gases_available + 1
1535	gas_index_chem(2) = lsp
1536	CASE ( 'NH3', 'nh3' )
1537	gases_available = gases_available + 1
1538	gas_index_chem(3) = lsp
1539	CASE ( 'OCNV', 'ocnv' )
1540	gases_available = gases_available + 1
1541	gas_index_chem(4) = lsp
1542	CASE ( 'OCSV', 'ocsv' )
1543	gases_available = gases_available + 1
1544	gas_index_chem(5) = lsp
1545	END SELECT
1546	ENDDO
1547
1548	IF ( gases_available == ngases_salsa ) THEN
1549	salsa_gases_from_chem = .TRUE.
1550	ELSE
1551	WRITE( message_string, * ) 'SALSA is run together with chemistry but not all gaseous '// &
1552	'components are provided by kpp (H2SO4, HNO3, NH3, OCNV, OCSV)'
1553	CALL message( 'check_parameters', 'PA0599', 1, 2, 0, 6, 0 )
1554	ENDIF
1555
1556	ELSE
1557
1558	ALLOCATE( salsa_gas(ngases_salsa) )
1559	ALLOCATE( gconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1560	gconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1561	gconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa) )
1562	gconc_1 = 0.0_wp
1563	gconc_2 = 0.0_wp
1564	gconc_3 = 0.0_wp
1565
1566	DO i = 1, ngases_salsa
1567	salsa_gas(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,i)
1568	salsa_gas(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,i)
1569	salsa_gas(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_3(:,:,:,i)
1570	ALLOCATE( salsa_gas(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1571	salsa_gas(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1572	salsa_gas(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1573	salsa_gas(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1574	salsa_gas(i)%init(nzb:nzt+1), &
1575	salsa_gas(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1576	salsa_gas(i)%init = nclim
1577	IF ( include_emission ) THEN
1578	ALLOCATE( salsa_gas(i)%source(nys:nys,nxl:nxr) )
1579	salsa_gas(i)%source = 0.0_wp
1580	ENDIF
1581	ENDDO
1582	!
1583	!-- Surface fluxes: gtsws = gaseous tracer flux
1584	!
1585	!-- Horizontal surfaces: default type
1586	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1587	ALLOCATE( surf_def_h(l)%gtsws( 1:surf_def_h(l)%ns, ngases_salsa ) )
1588	surf_def_h(l)%gtsws = 0.0_wp
1589	ENDDO
1590	!-- Horizontal surfaces: natural type
1591	ALLOCATE( surf_lsm_h%gtsws( 1:surf_lsm_h%ns, ngases_salsa ) )
1592	surf_lsm_h%gtsws = 0.0_wp
1593	!-- Horizontal surfaces: urban type
1594	ALLOCATE( surf_usm_h%gtsws( 1:surf_usm_h%ns, ngases_salsa ) )
1595	surf_usm_h%gtsws = 0.0_wp
1596	!
1597	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and
1598	!-- westward (l=3) facing
1599	DO l = 0, 3
1600	ALLOCATE( surf_def_v(l)%gtsws( 1:surf_def_v(l)%ns, ngases_salsa ) )
1601	surf_def_v(l)%gtsws = 0.0_wp
1602	ALLOCATE( surf_lsm_v(l)%gtsws( 1:surf_lsm_v(l)%ns, ngases_salsa ) )
1603	surf_lsm_v(l)%gtsws = 0.0_wp
1604	ALLOCATE( surf_usm_v(l)%gtsws( 1:surf_usm_v(l)%ns, ngases_salsa ) )
1605	surf_usm_v(l)%gtsws = 0.0_wp
1606	ENDDO
1607	ENDIF
1608
1609	IF ( ws_scheme_sca ) THEN
1610
1611	IF ( salsa ) THEN
1612	ALLOCATE( sums_salsa_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1613	sums_salsa_ws_l = 0.0_wp
1614	ENDIF
1615
1616	ENDIF
1617	!
1618	!-- Set control flags for decycling only at lateral boundary cores. Within the inner cores the
1619	!-- decycle flag is set to .FALSE.. Even though it does not affect the setting of chemistry boundary
1620	!-- conditions, this flag is used to set advection control flags appropriately.
1621	decycle_salsa_lr = MERGE( decycle_salsa_lr, .FALSE., nxl == 0 .OR. nxr == nx )
1622	decycle_salsa_ns = MERGE( decycle_salsa_ns, .FALSE., nys == 0 .OR. nyn == ny )
1623	!
1624	!-- Decycling can be applied separately for aerosol variables, while wind and other scalars may have
1625	!-- cyclic or nested boundary conditions. However, large gradients near the boundaries may produce
1626	!-- stationary numerical oscillations near the lateral boundaries when a higher-order scheme is
1627	!-- applied near these boundaries. To get rid-off this, set-up additional flags that control the
1628	!-- order of the scalar advection scheme near the lateral boundaries for passive scalars with
1629	!-- decycling.
1630	IF ( scalar_advec == 'ws-scheme' ) THEN
1631	ALLOCATE( salsa_advc_flags_s(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
1632	!
1633	!-- In case of decycling, set Neuman boundary conditions for wall_flags_0 bit 31 instead of
1634	!-- cyclic boundary conditions. Bit 31 is used to identify extended degradation zones (please see
1635	!-- the following comment). Note, since several also other modules may access this bit but may
1636	!-- have other boundary conditions, the original value of wall_flags_0 bit 31 must not be
1637	!-- modified. Hence, store the boundary conditions directly on salsa_advc_flags_s.
1638	!-- salsa_advc_flags_s will be later overwritten in ws_init_flags_scalar and bit 31 won't be used
1639	!-- to control the numerical order.
1640	!-- Initialize with flag 31 only.
1641	salsa_advc_flags_s = 0
1642	salsa_advc_flags_s = MERGE( IBSET( salsa_advc_flags_s, 31 ), 0, BTEST( wall_flags_0, 31 ) )
1643
1644	IF ( decycle_salsa_ns ) THEN
1645	IF ( nys == 0 ) THEN
1646	DO i = 1, nbgp
1647	salsa_advc_flags_s(:,nys-i,:) = MERGE( IBSET( salsa_advc_flags_s(:,nys,:), 31 ), &
1648	IBCLR( salsa_advc_flags_s(:,nys,:), 31 ), &
1649	BTEST( salsa_advc_flags_s(:,nys,:), 31 ) )
1650	ENDDO
1651	ENDIF
1652	IF ( nyn == ny ) THEN
1653	DO i = 1, nbgp
1654	salsa_advc_flags_s(:,nyn+i,:) = MERGE( IBSET( salsa_advc_flags_s(:,nyn,:), 31 ), &
1655	IBCLR( salsa_advc_flags_s(:,nyn,:), 31 ), &
1656	BTEST( salsa_advc_flags_s(:,nyn,:), 31 ) )
1657	ENDDO
1658	ENDIF
1659	ENDIF
1660	IF ( decycle_salsa_lr ) THEN
1661	IF ( nxl == 0 ) THEN
1662	DO i = 1, nbgp
1663	salsa_advc_flags_s(:,:,nxl-i) = MERGE( IBSET( salsa_advc_flags_s(:,:,nxl), 31 ), &
1664	IBCLR( salsa_advc_flags_s(:,:,nxl), 31 ), &
1665	BTEST( salsa_advc_flags_s(:,:,nxl), 31 ) )
1666	ENDDO
1667	ENDIF
1668	IF ( nxr == nx ) THEN
1669	DO i = 1, nbgp
1670	salsa_advc_flags_s(:,:,nxr+i) = MERGE( IBSET( salsa_advc_flags_s(:,:,nxr), 31 ), &
1671	IBCLR( salsa_advc_flags_s(:,:,nxr), 31 ), &
1672	BTEST( salsa_advc_flags_s(:,:,nxr), 31 ) )
1673	ENDDO
1674	ENDIF
1675	ENDIF
1676	!
1677	!-- To initialise the advection flags appropriately, pass the boundary flags to
1678	!-- ws_init_flags_scalar. The last argument in ws_init_flags_scalar indicates that a passive
1679	!-- scalar is being treated and the horizontal advection terms are degraded already 2 grid points
1680	!-- before the lateral boundary. Also, extended degradation zones are applied, where
1681	!-- horizontal advection of scalars is discretised by the first-order scheme at all grid points
1682	!-- in the vicinity of buildings (<= 3 grid points). Even though no building is within the
1683	!-- numerical stencil, the first-order scheme is used. At fourth and fifth grid points, the order
1684	!-- of the horizontal advection scheme is successively upgraded.
1685	!-- These degradations of the advection scheme are done to avoid stationary numerical
1686	!-- oscillations, which are responsible for high concentration maxima that may appear e.g. under
1687	!-- shear-free stable conditions.
1688	CALL ws_init_flags_scalar( bc_dirichlet_l .OR. bc_radiation_l .OR. decycle_salsa_lr, &
1689	bc_dirichlet_n .OR. bc_radiation_n .OR. decycle_salsa_ns, &
1690	bc_dirichlet_r .OR. bc_radiation_r .OR. decycle_salsa_lr, &
1691	bc_dirichlet_s .OR. bc_radiation_s .OR. decycle_salsa_ns, &
1692	salsa_advc_flags_s, .TRUE. )
1693	ENDIF
1694
1695
1696	END SUBROUTINE salsa_init_arrays
1697
1698	!------------------------------------------------------------------------------!
1699	! Description:
1700	! ------------
1701	!> Initialization of SALSA. Based on salsa_initialize in UCLALES-SALSA.
1702	!> Subroutines salsa_initialize, SALSAinit and DiagInitAero in UCLALES-SALSA are
1703	!> also merged here.
1704	!------------------------------------------------------------------------------!
1705	SUBROUTINE salsa_init
1706
1707	IMPLICIT NONE
1708
1709	INTEGER(iwp) :: i !<
1710	INTEGER(iwp) :: ib !< loop index for aerosol number bins
1711	INTEGER(iwp) :: ic !< loop index for aerosol mass bins
1712	INTEGER(iwp) :: ig !< loop index for gases
1713	INTEGER(iwp) :: j !<
1714
1715	IF ( debug_output ) CALL debug_message( 'salsa_init', 'start' )
1716
1717	bin_low_limits = 0.0_wp
1718	k_topo_top = 0
1719	nsect = 0.0_wp
1720	massacc = 1.0_wp
1721	!
1722	!-- Initialise
1723	IF ( nldepo ) sedim_vd = 0.0_wp
1724
1725	IF ( .NOT. salsa_gases_from_chem ) THEN
1726	IF ( .NOT. read_restart_data_salsa ) THEN
1727	salsa_gas(1)%conc = h2so4_init
1728	salsa_gas(2)%conc = hno3_init
1729	salsa_gas(3)%conc = nh3_init
1730	salsa_gas(4)%conc = ocnv_init
1731	salsa_gas(5)%conc = ocsv_init
1732	ENDIF
1733	DO ig = 1, ngases_salsa
1734	salsa_gas(ig)%conc_p = 0.0_wp
1735	salsa_gas(ig)%tconc_m = 0.0_wp
1736	salsa_gas(ig)%flux_s = 0.0_wp
1737	salsa_gas(ig)%diss_s = 0.0_wp
1738	salsa_gas(ig)%flux_l = 0.0_wp
1739	salsa_gas(ig)%diss_l = 0.0_wp
1740	salsa_gas(ig)%sums_ws_l = 0.0_wp
1741	salsa_gas(ig)%conc_p = salsa_gas(ig)%conc
1742	ENDDO
1743	!
1744	!-- Set initial value for gas compound tracer
1745	salsa_gas(1)%init = h2so4_init
1746	salsa_gas(2)%init = hno3_init
1747	salsa_gas(3)%init = nh3_init
1748	salsa_gas(4)%init = ocnv_init
1749	salsa_gas(5)%init = ocsv_init
1750	ENDIF
1751	!
1752	!-- Aerosol radius in each bin: dry and wet (m)
1753	ra_dry = 1.0E-10_wp
1754	!
1755	!-- Initialise location-dependent aerosol size distributions and chemical compositions:
1756	CALL aerosol_init
1757
1758	!-- Initalisation run of SALSA + calculate the vertical top index of the topography
1759	DO i = nxl, nxr
1760	DO j = nys, nyn
1761
1762	k_topo_top(j,i) = MAXLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,j,i), 12 ) ), DIM = 1 ) - 1
1763
1764	CALL salsa_driver( i, j, 1 )
1765	CALL salsa_diagnostics( i, j )
1766	ENDDO
1767	ENDDO
1768
1769	DO ib = 1, nbins_aerosol
1770	aerosol_number(ib)%conc_p = aerosol_number(ib)%conc
1771	aerosol_number(ib)%tconc_m = 0.0_wp
1772	aerosol_number(ib)%flux_s = 0.0_wp
1773	aerosol_number(ib)%diss_s = 0.0_wp
1774	aerosol_number(ib)%flux_l = 0.0_wp
1775	aerosol_number(ib)%diss_l = 0.0_wp
1776	aerosol_number(ib)%sums_ws_l = 0.0_wp
1777	ENDDO
1778	DO ic = 1, ncomponents_mass*nbins_aerosol
1779	aerosol_mass(ic)%conc_p = aerosol_mass(ic)%conc
1780	aerosol_mass(ic)%tconc_m = 0.0_wp
1781	aerosol_mass(ic)%flux_s = 0.0_wp
1782	aerosol_mass(ic)%diss_s = 0.0_wp
1783	aerosol_mass(ic)%flux_l = 0.0_wp
1784	aerosol_mass(ic)%diss_l = 0.0_wp
1785	aerosol_mass(ic)%sums_ws_l = 0.0_wp
1786	ENDDO
1787	!
1788	!
1789	!-- Initialise the deposition scheme and surface types
1790	IF ( nldepo ) CALL init_deposition
1791
1792	IF ( include_emission ) THEN
1793	!
1794	!-- Read in and initialize emissions
1795	CALL salsa_emission_setup( .TRUE. )
1796	IF ( .NOT. salsa_gases_from_chem .AND. salsa_emission_mode == 'read_from_file' ) THEN
1797	CALL salsa_gas_emission_setup( .TRUE. )
1798	ENDIF
1799	ENDIF
1800	!
1801	!-- Partition and dissolutional growth by gaseous HNO3 and NH3
1802	IF ( index_no > 0 .AND. index_nh > 0 .AND. index_so4 > 0 ) lspartition = .TRUE.
1803
1804	IF ( debug_output ) CALL debug_message( 'salsa_init', 'end' )
1805
1806	END SUBROUTINE salsa_init
1807
1808	!------------------------------------------------------------------------------!
1809	! Description:
1810	! ------------
1811	!> Initializes particle size distribution grid by calculating size bin limits
1812	!> and mid-size for dry particles in each bin. Called from salsa_initialize
1813	!> (only at the beginning of simulation).
1814	!> Size distribution described using:
1815	!> 1) moving center method (subranges 1 and 2)
1816	!> (Jacobson, Atmos. Env., 31, 131-144, 1997)
1817	!> 2) fixed sectional method (subrange 3)
1818	!> Size bins in each subrange are spaced logarithmically
1819	!> based on given subrange size limits and bin number.
1820	!
1821	!> Mona changed 06/2017: Use geometric mean diameter to describe the mean
1822	!> particle diameter in a size bin, not the arithmeric mean which clearly
1823	!> overestimates the total particle volume concentration.
1824	!
1825	!> Coded by:
1826	!> Hannele Korhonen (FMI) 2005
1827	!> Harri Kokkola (FMI) 2006
1828	!
1829	!> Bug fixes for box model + updated for the new aerosol datatype:
1830	!> Juha Tonttila (FMI) 2014
1831	!------------------------------------------------------------------------------!
1832	SUBROUTINE set_sizebins
1833
1834	IMPLICIT NONE
1835
1836	INTEGER(iwp) :: cc !< running index
1837	INTEGER(iwp) :: dd !< running index
1838
1839	REAL(wp) :: ratio_d !< ratio of the upper and lower diameter of subranges
1840
1841	aero(:)%dwet = 1.0E-10_wp
1842	aero(:)%veqh2o = 1.0E-10_wp
1843	aero(:)%numc = nclim
1844	aero(:)%core = 1.0E-10_wp
1845	DO cc = 1, maxspec+1 ! 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
1846	aero(:)%volc(cc) = 0.0_wp
1847	ENDDO
1848	!
1849	!-- vlolim&vhilim: min & max dry volumes [fxm]
1850	!-- dmid: bin mid dry diameter (m)
1851	!-- vratiolo&vratiohi: volume ratio between the center and low/high limit
1852	!
1853	!-- 1) Size subrange 1:
1854	ratio_d = reglim(2) / reglim(1) ! section spacing (m)
1855	DO cc = start_subrange_1a, end_subrange_1a
1856	aero(cc)%vlolim = api6 * ( reglim(1) * ratio_d( REAL( cc-1 ) / nbin(1) ) )3
1857	aero(cc)%vhilim = api6 * ( reglim(1) * ratio_d( REAL( cc ) / nbin(1) ) )3
1858	aero(cc)%dmid = SQRT( ( aero(cc)%vhilim / api6 )*0.33333333_wp &
1859	( aero(cc)%vlolim / api6 )**0.33333333_wp )
1860	aero(cc)%vratiohi = aero(cc)%vhilim / ( api6 * aero(cc)%dmid**3 )
1861	aero(cc)%vratiolo = aero(cc)%vlolim / ( api6 * aero(cc)%dmid**3 )
1862	ENDDO
1863	!
1864	!-- 2) Size subrange 2:
1865	!-- 2.1) Sub-subrange 2a: high hygroscopicity
1866	ratio_d = reglim(3) / reglim(2) ! section spacing
1867	DO dd = start_subrange_2a, end_subrange_2a
1868	cc = dd - start_subrange_2a
1869	aero(dd)%vlolim = api6 * ( reglim(2) * ratio_d( REAL( cc ) / nbin(2) ) )3
1870	aero(dd)%vhilim = api6 * ( reglim(2) * ratio_d( REAL( cc+1 ) / nbin(2) ) )3
1871	aero(dd)%dmid = SQRT( ( aero(dd)%vhilim / api6 )*0.33333333_wp &
1872	( aero(dd)%vlolim / api6 )**0.33333333_wp )
1873	aero(dd)%vratiohi = aero(dd)%vhilim / ( api6 * aero(dd)%dmid**3 )
1874	aero(dd)%vratiolo = aero(dd)%vlolim / ( api6 * aero(dd)%dmid**3 )
1875	ENDDO
1876	!
1877	!-- 2.2) Sub-subrange 2b: low hygroscopicity
1878	IF ( .NOT. no_insoluble ) THEN
1879	aero(start_subrange_2b:end_subrange_2b)%vlolim = aero(start_subrange_2a:end_subrange_2a)%vlolim
1880	aero(start_subrange_2b:end_subrange_2b)%vhilim = aero(start_subrange_2a:end_subrange_2a)%vhilim
1881	aero(start_subrange_2b:end_subrange_2b)%dmid = aero(start_subrange_2a:end_subrange_2a)%dmid
1882	aero(start_subrange_2b:end_subrange_2b)%vratiohi = aero(start_subrange_2a:end_subrange_2a)%vratiohi
1883	aero(start_subrange_2b:end_subrange_2b)%vratiolo = aero(start_subrange_2a:end_subrange_2a)%vratiolo
1884	ENDIF
1885	!
1886	!-- Initialize the wet diameter with the bin dry diameter to avoid numerical problems later
1887	aero(:)%dwet = aero(:)%dmid
1888	!
1889	!-- Save bin limits (lower diameter) to be delivered to PALM if needed
1890	DO cc = 1, nbins_aerosol
1891	bin_low_limits(cc) = ( aero(cc)%vlolim / api6 )**0.33333333_wp
1892	ENDDO
1893
1894	END SUBROUTINE set_sizebins
1895
1896	!------------------------------------------------------------------------------!
1897	! Description:
1898	! ------------
1899	!> Initilize altitude-dependent aerosol size distributions and compositions.
1900	!>
1901	!> Mona added 06/2017: Correct the number and mass concentrations by normalizing
1902	!< by the given total number and mass concentration.
1903	!>
1904	!> Tomi Raatikainen, FMI, 29.2.2016
1905	!------------------------------------------------------------------------------!
1906	SUBROUTINE aerosol_init
1907
1908	USE netcdf_data_input_mod, &
1909	ONLY: check_existence, close_input_file, get_dimension_length, &
1910	get_attribute, get_variable, &
1911	inquire_num_variables, inquire_variable_names, &
1912	open_read_file
1913
1914	IMPLICIT NONE
1915
1916	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
1917	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names
1918
1919	INTEGER(iwp) :: ee !< index: end
1920	INTEGER(iwp) :: i !< loop index: x-direction
1921	INTEGER(iwp) :: ib !< loop index: size bins
1922	INTEGER(iwp) :: ic !< loop index: chemical components
1923	INTEGER(iwp) :: id_dyn !< NetCDF id of PIDS_DYNAMIC_SALSA
1924	INTEGER(iwp) :: ig !< loop index: gases
1925	INTEGER(iwp) :: j !< loop index: y-direction
1926	INTEGER(iwp) :: k !< loop index: z-direction
1927	INTEGER(iwp) :: lod_aero !< level of detail of inital aerosol concentrations
1928	INTEGER(iwp) :: num_vars !< number of variables
1929	INTEGER(iwp) :: pr_nbins !< number of aerosol size bins in file
1930	INTEGER(iwp) :: pr_ncc !< number of aerosol chemical components in file
1931	INTEGER(iwp) :: pr_nz !< number of vertical grid-points in file
1932	INTEGER(iwp) :: prunmode !< running mode of SALSA
1933	INTEGER(iwp) :: ss !< index: start
1934
1935	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod
1936
1937	LOGICAL :: netcdf_extend = .FALSE. !< Flag: netcdf file exists
1938
1939	REAL(wp) :: flag !< flag to mask topography grid points
1940
1941	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
1942
1943	REAL(wp), DIMENSION(0:nz+1) :: pnf2a !< number fraction in 2a
1944	REAL(wp), DIMENSION(0:nz+1) :: pmfoc1a !< mass fraction of OC in 1a
1945
1946	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol) :: pndist !< vertical profile of size dist. (#/m3)
1947	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2a !< mass distributions in subrange 2a
1948	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2b !< mass distributions in subrange 2b
1949
1950	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_dmid !< vertical profile of aerosol bin diameters
1951	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_z !< z levels of profiles
1952
1953	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_a !< mass fraction: a
1954	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_b !< and b
1955
1956	cc_in2mod = 0
1957	prunmode = 1
1958	!
1959	!-- Bin mean aerosol particle volume (m3)
1960	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
1961	!
1962	!-- Set concentrations to zero
1963	pndist(:,:) = 0.0_wp
1964	pnf2a(:) = nf2a
1965	pmf2a(:,:) = 0.0_wp
1966	pmf2b(:,:) = 0.0_wp
1967	pmfoc1a(:) = 0.0_wp
1968
1969	IF ( init_aerosol_type == 1 ) THEN
1970	!
1971	!-- Read input profiles from PIDS_DYNAMIC_SALSA
1972	#if defined( __netcdf )
1973	!
1974	!-- Location-dependent size distributions and compositions.
1975	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1976	IF ( netcdf_extend ) THEN
1977	!
1978	!-- Open file in read-only mode
1979	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
1980	!
1981	!-- At first, inquire all variable names
1982	CALL inquire_num_variables( id_dyn, num_vars )
1983	!
1984	!-- Allocate memory to store variable names
1985	ALLOCATE( var_names(1:num_vars) )
1986	CALL inquire_variable_names( id_dyn, var_names )
1987	!
1988	!-- Inquire vertical dimension and number of aerosol chemical components
1989	CALL get_dimension_length( id_dyn, pr_nz, 'z' )
1990	IF ( pr_nz /= nz ) THEN
1991	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
1992	'the number of numeric grid points.'
1993	CALL message( 'aerosol_init', 'PA0601', 1, 2, 0, 6, 0 )
1994	ENDIF
1995	CALL get_dimension_length( id_dyn, pr_ncc, 'composition_index' )
1996	!
1997	!-- Allocate memory
1998	ALLOCATE( pr_z(1:pr_nz), pr_mass_fracs_a(nzb:nzt+1,pr_ncc), &
1999	pr_mass_fracs_b(nzb:nzt+1,pr_ncc) )
2000	pr_mass_fracs_a = 0.0_wp
2001	pr_mass_fracs_b = 0.0_wp
2002	!
2003	!-- Read vertical levels
2004	CALL get_variable( id_dyn, 'z', pr_z )
2005	!
2006	!-- Read the names of chemical components
2007	IF ( check_existence( var_names, 'composition_name' ) ) THEN
2008	CALL get_variable( id_dyn, 'composition_name', cc_name, pr_ncc )
2009	ELSE
2010	WRITE( message_string, * ) 'Missing composition_name in ' // TRIM( input_file_dynamic )
2011	CALL message( 'aerosol_init', 'PA0655', 1, 2, 0, 6, 0 )
2012	ENDIF
2013	!
2014	!-- Define the index of each chemical component in the model
2015	DO ic = 1, pr_ncc
2016	SELECT CASE ( TRIM( cc_name(ic) ) )
2017	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
2018	cc_in2mod(1) = ic
2019	CASE ( 'OC', 'oc' )
2020	cc_in2mod(2) = ic
2021	CASE ( 'BC', 'bc' )
2022	cc_in2mod(3) = ic
2023	CASE ( 'DU', 'du' )
2024	cc_in2mod(4) = ic
2025	CASE ( 'SS', 'ss' )
2026	cc_in2mod(5) = ic
2027	CASE ( 'HNO3', 'hno3', 'NO3', 'no3', 'NO', 'no' )
2028	cc_in2mod(6) = ic
2029	CASE ( 'NH3', 'nh3', 'NH4', 'nh4', 'NH', 'nh' )
2030	cc_in2mod(7) = ic
2031	END SELECT
2032	ENDDO
2033
2034	IF ( SUM( cc_in2mod ) == 0 ) THEN
2035	message_string = 'None of the aerosol chemical components in ' // TRIM( &
2036	input_file_dynamic ) // ' correspond to ones applied in SALSA.'
2037	CALL message( 'salsa_mod: aerosol_init', 'PA0602', 2, 2, 0, 6, 0 )
2038	ENDIF
2039	!
2040	!-- Vertical profiles of mass fractions of different chemical components:
2041	IF ( check_existence( var_names, 'init_atmosphere_mass_fracs_a' ) ) THEN
2042	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_a', pr_mass_fracs_a, &
2043	0, pr_ncc-1, 0, pr_nz-1 )
2044	ELSE
2045	WRITE( message_string, * ) 'Missing init_atmosphere_mass_fracs_a in ' // &
2046	TRIM( input_file_dynamic )
2047	CALL message( 'aerosol_init', 'PA0656', 1, 2, 0, 6, 0 )
2048	ENDIF
2049	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_b', pr_mass_fracs_b, &
2050	0, pr_ncc-1, 0, pr_nz-1 )
2051	!
2052	!-- Match the input data with the chemical composition applied in the model
2053	DO ic = 1, maxspec
2054	ss = cc_in2mod(ic)
2055	IF ( ss == 0 ) CYCLE
2056	pmf2a(nzb+1:nzt+1,ic) = pr_mass_fracs_a(nzb:nzt,ss)
2057	pmf2b(nzb+1:nzt+1,ic) = pr_mass_fracs_b(nzb:nzt,ss)
2058	ENDDO
2059	!
2060	!-- Aerosol concentrations: lod=1 (vertical profile of sectional number size distribution)
2061	CALL get_attribute( id_dyn, 'lod', lod_aero, .FALSE., 'init_atmosphere_aerosol' )
2062	IF ( lod_aero /= 1 ) THEN
2063	message_string = 'Currently only lod=1 accepted for init_atmosphere_aerosol'
2064	CALL message( 'salsa_mod: aerosol_init', 'PA0603', 2, 2, 0, 6, 0 )
2065	ELSE
2066	!
2067	!-- Bin mean diameters in the input file
2068	CALL get_dimension_length( id_dyn, pr_nbins, 'Dmid')
2069	IF ( pr_nbins /= nbins_aerosol ) THEN
2070	message_string = 'Number of size bins in init_atmosphere_aerosol does not match ' &
2071	// 'with that applied in the model'
2072	CALL message( 'salsa_mod: aerosol_init', 'PA0604', 2, 2, 0, 6, 0 )
2073	ENDIF
2074
2075	ALLOCATE( pr_dmid(pr_nbins) )
2076	pr_dmid = 0.0_wp
2077
2078	CALL get_variable( id_dyn, 'Dmid', pr_dmid )
2079	!
2080	!-- Check whether the sectional representation conform to the one
2081	!-- applied in the model
2082	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - pr_dmid ) / &
2083	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
2084	message_string = 'Mean diameters of the aerosol size bins in ' // TRIM( &
2085	input_file_dynamic ) // ' do not match with the sectional '// &
2086	'representation of the model.'
2087	CALL message( 'salsa_mod: aerosol_init', 'PA0605', 2, 2, 0, 6, 0 )
2088	ENDIF
2089	!
2090	!-- Inital aerosol concentrations
2091	CALL get_variable( id_dyn, 'init_atmosphere_aerosol', pndist(nzb+1:nzt,:), &
2092	0, pr_nbins-1, 0, pr_nz-1 )
2093	ENDIF
2094	!
2095	!-- Set bottom and top boundary condition (Neumann)
2096	pmf2a(nzb,:) = pmf2a(nzb+1,:)
2097	pmf2a(nzt+1,:) = pmf2a(nzt,:)
2098	pmf2b(nzb,:) = pmf2b(nzb+1,:)
2099	pmf2b(nzt+1,:) = pmf2b(nzt,:)
2100	pndist(nzb,:) = pndist(nzb+1,:)
2101	pndist(nzt+1,:) = pndist(nzt,:)
2102
2103	IF ( index_so4 < 0 ) THEN
2104	pmf2a(:,1) = 0.0_wp
2105	pmf2b(:,1) = 0.0_wp
2106	ENDIF
2107	IF ( index_oc < 0 ) THEN
2108	pmf2a(:,2) = 0.0_wp
2109	pmf2b(:,2) = 0.0_wp
2110	ENDIF
2111	IF ( index_bc < 0 ) THEN
2112	pmf2a(:,3) = 0.0_wp
2113	pmf2b(:,3) = 0.0_wp
2114	ENDIF
2115	IF ( index_du < 0 ) THEN
2116	pmf2a(:,4) = 0.0_wp
2117	pmf2b(:,4) = 0.0_wp
2118	ENDIF
2119	IF ( index_ss < 0 ) THEN
2120	pmf2a(:,5) = 0.0_wp
2121	pmf2b(:,5) = 0.0_wp
2122	ENDIF
2123	IF ( index_no < 0 ) THEN
2124	pmf2a(:,6) = 0.0_wp
2125	pmf2b(:,6) = 0.0_wp
2126	ENDIF
2127	IF ( index_nh < 0 ) THEN
2128	pmf2a(:,7) = 0.0_wp
2129	pmf2b(:,7) = 0.0_wp
2130	ENDIF
2131
2132	IF ( SUM( pmf2a ) < 0.00001_wp .AND. SUM( pmf2b ) < 0.00001_wp ) THEN
2133	message_string = 'Error in initialising mass fractions of chemical components. ' // &
2134	'Check that all chemical components are included in parameter file!'
2135	CALL message( 'salsa_mod: aerosol_init', 'PA0606', 2, 2, 0, 6, 0 )
2136	ENDIF
2137	!
2138	!-- Then normalise the mass fraction so that SUM = 1
2139	DO k = nzb, nzt+1
2140	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
2141	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
2142	ENDDO
2143
2144	DEALLOCATE( pr_z, pr_mass_fracs_a, pr_mass_fracs_b )
2145
2146	ELSE
2147	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
2148	' for SALSA missing!'
2149	CALL message( 'salsa_mod: aerosol_init', 'PA0607', 1, 2, 0, 6, 0 )
2150	!
2151	!-- Close input file
2152	CALL close_input_file( id_dyn )
2153	ENDIF ! netcdf_extend
2154
2155	#else
2156	message_string = 'init_aerosol_type = 1 but preprocessor directive __netcdf is not used '// &
2157	'in compiling!'
2158	CALL message( 'salsa_mod: aerosol_init', 'PA0608', 1, 2, 0, 6, 0 )
2159
2160	#endif
2161
2162	ELSEIF ( init_aerosol_type == 0 ) THEN
2163	!
2164	!-- Mass fractions for species in a and b-bins
2165	IF ( index_so4 > 0 ) THEN
2166	pmf2a(:,1) = mass_fracs_a(index_so4)
2167	pmf2b(:,1) = mass_fracs_b(index_so4)
2168	ENDIF
2169	IF ( index_oc > 0 ) THEN
2170	pmf2a(:,2) = mass_fracs_a(index_oc)
2171	pmf2b(:,2) = mass_fracs_b(index_oc)
2172	ENDIF
2173	IF ( index_bc > 0 ) THEN
2174	pmf2a(:,3) = mass_fracs_a(index_bc)
2175	pmf2b(:,3) = mass_fracs_b(index_bc)
2176	ENDIF
2177	IF ( index_du > 0 ) THEN
2178	pmf2a(:,4) = mass_fracs_a(index_du)
2179	pmf2b(:,4) = mass_fracs_b(index_du)
2180	ENDIF
2181	IF ( index_ss > 0 ) THEN
2182	pmf2a(:,5) = mass_fracs_a(index_ss)
2183	pmf2b(:,5) = mass_fracs_b(index_ss)
2184	ENDIF
2185	IF ( index_no > 0 ) THEN
2186	pmf2a(:,6) = mass_fracs_a(index_no)
2187	pmf2b(:,6) = mass_fracs_b(index_no)
2188	ENDIF
2189	IF ( index_nh > 0 ) THEN
2190	pmf2a(:,7) = mass_fracs_a(index_nh)
2191	pmf2b(:,7) = mass_fracs_b(index_nh)
2192	ENDIF
2193	DO k = nzb, nzt+1
2194	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
2195	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
2196	ENDDO
2197
2198	CALL size_distribution( n_lognorm, dpg, sigmag, nsect )
2199	!
2200	!-- Normalize by the given total number concentration
2201	nsect = nsect * SUM( n_lognorm ) / SUM( nsect )
2202	DO ib = start_subrange_1a, end_subrange_2b
2203	pndist(:,ib) = nsect(ib)
2204	ENDDO
2205	ENDIF
2206
2207	IF ( init_gases_type == 1 ) THEN
2208	!
2209	!-- Read input profiles from PIDS_CHEM
2210	#if defined( __netcdf )
2211	!
2212	!-- Location-dependent size distributions and compositions.
2213	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
2214	IF ( netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
2215	!
2216	!-- Open file in read-only mode
2217	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
2218	!
2219	!-- Inquire dimensions:
2220	CALL get_dimension_length( id_dyn, pr_nz, 'z' )
2221	IF ( pr_nz /= nz ) THEN
2222	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
2223	'the number of numeric grid points.'
2224	CALL message( 'aerosol_init', 'PA0609', 1, 2, 0, 6, 0 )
2225	ENDIF
2226	!
2227	!-- Read vertical profiles of gases:
2228	CALL get_variable( id_dyn, 'init_atmosphere_H2SO4', salsa_gas(1)%init(nzb+1:nzt) )
2229	CALL get_variable( id_dyn, 'init_atmosphere_HNO3', salsa_gas(2)%init(nzb+1:nzt) )
2230	CALL get_variable( id_dyn, 'init_atmosphere_NH3', salsa_gas(3)%init(nzb+1:nzt) )
2231	CALL get_variable( id_dyn, 'init_atmosphere_OCNV', salsa_gas(4)%init(nzb+1:nzt) )
2232	CALL get_variable( id_dyn, 'init_atmosphere_OCSV', salsa_gas(5)%init(nzb+1:nzt) )
2233	!
2234	!-- Set Neumann top and surface boundary condition for initial + initialise concentrations
2235	DO ig = 1, ngases_salsa
2236	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
2237	salsa_gas(ig)%init(nzt+1) = salsa_gas(ig)%init(nzt)
2238	IF ( .NOT. read_restart_data_salsa ) THEN
2239	DO k = nzb, nzt+1
2240	salsa_gas(ig)%conc(k,:,:) = salsa_gas(ig)%init(k)
2241	ENDDO
2242	ENDIF
2243	ENDDO
2244
2245	ELSEIF ( .NOT. netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
2246	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
2247	' for SALSA missing!'
2248	CALL message( 'salsa_mod: aerosol_init', 'PA0610', 1, 2, 0, 6, 0 )
2249	!
2250	!-- Close input file
2251	CALL close_input_file( id_dyn )
2252	ENDIF ! netcdf_extend
2253	#else
2254	message_string = 'init_gases_type = 1 but preprocessor directive __netcdf is not used in '//&
2255	'compiling!'
2256	CALL message( 'salsa_mod: aerosol_init', 'PA0611', 1, 2, 0, 6, 0 )
2257
2258	#endif
2259
2260	ENDIF
2261	!
2262	!-- Both SO4 and OC are included, so use the given mass fractions
2263	IF ( index_oc > 0 .AND. index_so4 > 0 ) THEN
2264	pmfoc1a(:) = pmf2a(:,2) / ( pmf2a(:,2) + pmf2a(:,1) ) ! Normalize
2265	!
2266	!-- Pure organic carbon
2267	ELSEIF ( index_oc > 0 ) THEN
2268	pmfoc1a(:) = 1.0_wp
2269	!
2270	!-- Pure SO4
2271	ELSEIF ( index_so4 > 0 ) THEN
2272	pmfoc1a(:) = 0.0_wp
2273
2274	ELSE
2275	message_string = 'Either OC or SO4 must be active for aerosol region 1a!'
2276	CALL message( 'salsa_mod: aerosol_init', 'PA0612', 1, 2, 0, 6, 0 )
2277	ENDIF
2278
2279	!
2280	!-- Initialize concentrations
2281	DO i = nxlg, nxrg
2282	DO j = nysg, nyng
2283	DO k = nzb, nzt+1
2284	!
2285	!-- Predetermine flag to mask topography
2286	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2287	!
2288	!-- a) Number concentrations
2289	!-- Region 1:
2290	DO ib = start_subrange_1a, end_subrange_1a
2291	IF ( .NOT. read_restart_data_salsa ) THEN
2292	aerosol_number(ib)%conc(k,j,i) = pndist(k,ib) * flag
2293	ENDIF
2294	IF ( prunmode == 1 ) THEN
2295	aerosol_number(ib)%init = pndist(:,ib)
2296	ENDIF
2297	ENDDO
2298	!
2299	!-- Region 2:
2300	IF ( nreg > 1 ) THEN
2301	DO ib = start_subrange_2a, end_subrange_2a
2302	IF ( .NOT. read_restart_data_salsa ) THEN
2303	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, pnf2a(k) ) * pndist(k,ib) * flag
2304	ENDIF
2305	IF ( prunmode == 1 ) THEN
2306	aerosol_number(ib)%init = MAX( 0.0_wp, nf2a ) * pndist(:,ib)
2307	ENDIF
2308	ENDDO
2309	IF ( .NOT. no_insoluble ) THEN
2310	DO ib = start_subrange_2b, end_subrange_2b
2311	IF ( pnf2a(k) < 1.0_wp ) THEN
2312	IF ( .NOT. read_restart_data_salsa ) THEN
2313	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pnf2a(k) ) * &
2314	pndist(k,ib) * flag
2315	ENDIF
2316	IF ( prunmode == 1 ) THEN
2317	aerosol_number(ib)%init = MAX( 0.0_wp, 1.0_wp - nf2a ) * pndist(:,ib)
2318	ENDIF
2319	ENDIF
2320	ENDDO
2321	ENDIF
2322	ENDIF
2323	!
2324	!-- b) Aerosol mass concentrations
2325	!-- bin subrange 1: done here separately due to the SO4/OC convention
2326	!
2327	!-- SO4:
2328	IF ( index_so4 > 0 ) THEN
2329	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a !< start
2330	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a !< end
2331	ib = start_subrange_1a
2332	DO ic = ss, ee
2333	IF ( .NOT. read_restart_data_salsa ) THEN
2334	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * &
2335	pndist(k,ib) * core(ib) * arhoh2so4 * flag
2336	ENDIF
2337	IF ( prunmode == 1 ) THEN
2338	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib) &
2339	* core(ib) * arhoh2so4
2340	ENDIF
2341	ib = ib+1
2342	ENDDO
2343	ENDIF
2344	!
2345	!-- OC:
2346	IF ( index_oc > 0 ) THEN
2347	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a !< start
2348	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a !< end
2349	ib = start_subrange_1a
2350	DO ic = ss, ee
2351	IF ( .NOT. read_restart_data_salsa ) THEN
2352	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
2353	core(ib) * arhooc * flag
2354	ENDIF
2355	IF ( prunmode == 1 ) THEN
2356	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
2357	core(ib) * arhooc
2358	ENDIF
2359	ib = ib+1
2360	ENDDO
2361	ENDIF
2362	ENDDO !< k
2363
2364	prunmode = 3 ! Init only once
2365
2366	ENDDO !< j
2367	ENDDO !< i
2368
2369	!
2370	!-- c) Aerosol mass concentrations
2371	!-- bin subrange 2:
2372	IF ( nreg > 1 ) THEN
2373
2374	IF ( index_so4 > 0 ) THEN
2375	CALL set_aero_mass( index_so4, pmf2a(:,1), pmf2b(:,1), pnf2a, pndist, core, arhoh2so4 )
2376	ENDIF
2377	IF ( index_oc > 0 ) THEN
2378	CALL set_aero_mass( index_oc, pmf2a(:,2), pmf2b(:,2), pnf2a, pndist, core, arhooc )
2379	ENDIF
2380	IF ( index_bc > 0 ) THEN
2381	CALL set_aero_mass( index_bc, pmf2a(:,3), pmf2b(:,3), pnf2a, pndist, core, arhobc )
2382	ENDIF
2383	IF ( index_du > 0 ) THEN
2384	CALL set_aero_mass( index_du, pmf2a(:,4), pmf2b(:,4), pnf2a, pndist, core, arhodu )
2385	ENDIF
2386	IF ( index_ss > 0 ) THEN
2387	CALL set_aero_mass( index_ss, pmf2a(:,5), pmf2b(:,5), pnf2a, pndist, core, arhoss )
2388	ENDIF
2389	IF ( index_no > 0 ) THEN
2390	CALL set_aero_mass( index_no, pmf2a(:,6), pmf2b(:,6), pnf2a, pndist, core, arhohno3 )
2391	ENDIF
2392	IF ( index_nh > 0 ) THEN
2393	CALL set_aero_mass( index_nh, pmf2a(:,7), pmf2b(:,7), pnf2a, pndist, core, arhonh3 )
2394	ENDIF
2395
2396	ENDIF
2397
2398	END SUBROUTINE aerosol_init
2399
2400	!------------------------------------------------------------------------------!
2401	! Description:
2402	! ------------
2403	!> Create a lognormal size distribution and discretise to a sectional
2404	!> representation.
2405	!------------------------------------------------------------------------------!
2406	SUBROUTINE size_distribution( in_ntot, in_dpg, in_sigma, psd_sect )
2407
2408	IMPLICIT NONE
2409
2410	INTEGER(iwp) :: ib !< running index: bin
2411	INTEGER(iwp) :: iteration !< running index: iteration
2412
2413	REAL(wp) :: d1 !< particle diameter (m, dummy)
2414	REAL(wp) :: d2 !< particle diameter (m, dummy)
2415	REAL(wp) :: delta_d !< (d2-d1)/10
2416	REAL(wp) :: deltadp !< bin width
2417	REAL(wp) :: dmidi !< ( d1 + d2 ) / 2
2418
2419	REAL(wp), DIMENSION(:), INTENT(in) :: in_dpg !< geometric mean diameter (m)
2420	REAL(wp), DIMENSION(:), INTENT(in) :: in_ntot !< number conc. (#/m3)
2421	REAL(wp), DIMENSION(:), INTENT(in) :: in_sigma !< standard deviation
2422
2423	REAL(wp), DIMENSION(:), INTENT(inout) :: psd_sect !< sectional size distribution
2424
2425	DO ib = start_subrange_1a, end_subrange_2b
2426	psd_sect(ib) = 0.0_wp
2427	!
2428	!-- Particle diameter at the low limit (largest in the bin) (m)
2429	d1 = ( aero(ib)%vlolim / api6 )**0.33333333_wp
2430	!
2431	!-- Particle diameter at the high limit (smallest in the bin) (m)
2432	d2 = ( aero(ib)%vhilim / api6 )**0.33333333_wp
2433	!
2434	!-- Span of particle diameter in a bin (m)
2435	delta_d = 0.1_wp * ( d2 - d1 )
2436	!
2437	!-- Iterate:
2438	DO iteration = 1, 10
2439	d1 = ( aero(ib)%vlolim / api6 )*0.33333333_wp + ( ib - 1) delta_d
2440	d2 = d1 + delta_d
2441	dmidi = 0.5_wp * ( d1 + d2 )
2442	deltadp = LOG10( d2 / d1 )
2443	!
2444	!-- Size distribution
2445	!-- in_ntot = total number, total area, or total volume concentration
2446	!-- in_dpg = geometric-mean number, area, or volume diameter
2447	!-- n(k) = number, area, or volume concentration in a bin
2448	psd_sect(ib) = psd_sect(ib) + SUM( in_ntot * deltadp / ( SQRT( 2.0_wp * pi ) * &
2449	LOG10( in_sigma ) ) * EXP( -LOG10( dmidi / in_dpg )**2.0_wp / &
2450	( 2.0_wp * LOG10( in_sigma ) ** 2.0_wp ) ) )
2451
2452	ENDDO
2453	ENDDO
2454
2455	END SUBROUTINE size_distribution
2456
2457	!------------------------------------------------------------------------------!
2458	! Description:
2459	! ------------
2460	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
2461	!>
2462	!> Tomi Raatikainen, FMI, 29.2.2016
2463	!------------------------------------------------------------------------------!
2464	SUBROUTINE set_aero_mass( ispec, pmf2a, pmf2b, pnf2a, pndist, pcore, prho )
2465
2466	IMPLICIT NONE
2467
2468	INTEGER(iwp) :: ee !< index: end
2469	INTEGER(iwp) :: i !< loop index
2470	INTEGER(iwp) :: ib !< loop index
2471	INTEGER(iwp) :: ic !< loop index
2472	INTEGER(iwp) :: j !< loop index
2473	INTEGER(iwp) :: k !< loop index
2474	INTEGER(iwp) :: prunmode !< 1 = initialise
2475	INTEGER(iwp) :: ss !< index: start
2476
2477	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
2478
2479	REAL(wp) :: flag !< flag to mask topography grid points
2480
2481	REAL(wp), INTENT(in) :: prho !< Aerosol density
2482
2483	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pcore !< Aerosol bin mid core volume
2484	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pnf2a !< Number fraction for 2a
2485	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2a !< Mass distributions for a
2486	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2b !< and b bins
2487
2488	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol), INTENT(in) :: pndist !< Aerosol size distribution
2489
2490	prunmode = 1
2491
2492	DO i = nxlg, nxrg
2493	DO j = nysg, nyng
2494	DO k = nzb, nzt+1
2495	!
2496	!-- Predetermine flag to mask topography
2497	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2498	!
2499	!-- Regime 2a:
2500	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
2501	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
2502	ib = start_subrange_2a
2503	DO ic = ss, ee
2504	IF ( .NOT. read_restart_data_salsa ) THEN
2505	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib)&
2506	* pcore(ib) * prho * flag
2507	ENDIF
2508	IF ( prunmode == 1 ) THEN
2509	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2510	pcore(ib) * prho
2511	ENDIF
2512	ib = ib + 1
2513	ENDDO
2514	!
2515	!-- Regime 2b:
2516	IF ( .NOT. no_insoluble ) THEN
2517	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2b
2518	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2b
2519	ib = start_subrange_2a
2520	DO ic = ss, ee
2521	IF ( .NOT. read_restart_data_salsa ) THEN
2522	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k))&
2523	* pndist(k,ib) * pcore(ib) * prho * flag
2524	ENDIF
2525	IF ( prunmode == 1 ) THEN
2526	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) * &
2527	pndist(k,ib) * pcore(ib) * prho
2528	ENDIF
2529	ib = ib + 1
2530	ENDDO ! c
2531
2532	ENDIF
2533	ENDDO ! k
2534
2535	prunmode = 3 ! Init only once
2536
2537	ENDDO ! j
2538	ENDDO ! i
2539
2540	END SUBROUTINE set_aero_mass
2541
2542	!------------------------------------------------------------------------------!
2543	! Description:
2544	! ------------
2545	!> Initialise the matching between surface types in LSM and deposition models.
2546	!> Do the matching based on Zhang et al. (2001). Atmos. Environ. 35, 549-560
2547	!> (here referred as Z01).
2548	!------------------------------------------------------------------------------!
2549	SUBROUTINE init_deposition
2550
2551	USE surface_mod, &
2552	ONLY: surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2553
2554	IMPLICIT NONE
2555
2556	INTEGER(iwp) :: l !< loop index for vertical surfaces
2557
2558	LOGICAL :: match_lsm !< flag to initilise LSM surfaces (if false, initialise USM surfaces)
2559
2560	IF ( depo_pcm_par == 'zhang2001' ) THEN
2561	depo_pcm_par_num = 1
2562	ELSEIF ( depo_pcm_par == 'petroff2010' ) THEN
2563	depo_pcm_par_num = 2
2564	ENDIF
2565
2566	IF ( depo_surf_par == 'zhang2001' ) THEN
2567	depo_surf_par_num = 1
2568	ELSEIF ( depo_surf_par == 'petroff2010' ) THEN
2569	depo_surf_par_num = 2
2570	ENDIF
2571	!
2572	!-- LSM: Pavement, vegetation and water
2573	IF ( nldepo_surf .AND. land_surface ) THEN
2574	match_lsm = .TRUE.
2575	ALLOCATE( lsm_to_depo_h%match_lupg(1:surf_lsm_h%ns), &
2576	lsm_to_depo_h%match_luvw(1:surf_lsm_h%ns), &
2577	lsm_to_depo_h%match_luww(1:surf_lsm_h%ns) )
2578	lsm_to_depo_h%match_lupg = 0
2579	lsm_to_depo_h%match_luvw = 0
2580	lsm_to_depo_h%match_luww = 0
2581	CALL match_sm_zhang( surf_lsm_h, lsm_to_depo_h%match_lupg, lsm_to_depo_h%match_luvw, &
2582	lsm_to_depo_h%match_luww, match_lsm )
2583	DO l = 0, 3
2584	ALLOCATE( lsm_to_depo_v(l)%match_lupg(1:surf_lsm_v(l)%ns), &
2585	lsm_to_depo_v(l)%match_luvw(1:surf_lsm_v(l)%ns), &
2586	lsm_to_depo_v(l)%match_luww(1:surf_lsm_v(l)%ns) )
2587	lsm_to_depo_v(l)%match_lupg = 0
2588	lsm_to_depo_v(l)%match_luvw = 0
2589	lsm_to_depo_v(l)%match_luww = 0
2590	CALL match_sm_zhang( surf_lsm_v(l), lsm_to_depo_v(l)%match_lupg, &
2591	lsm_to_depo_v(l)%match_luvw, lsm_to_depo_v(l)%match_luww, match_lsm )
2592	ENDDO
2593	ENDIF
2594	!
2595	!-- USM: Green roofs/walls, wall surfaces and windows
2596	IF ( nldepo_surf .AND. urban_surface ) THEN
2597	match_lsm = .FALSE.
2598	ALLOCATE( usm_to_depo_h%match_lupg(1:surf_usm_h%ns), &
2599	usm_to_depo_h%match_luvw(1:surf_usm_h%ns), &
2600	usm_to_depo_h%match_luww(1:surf_usm_h%ns) )
2601	usm_to_depo_h%match_lupg = 0
2602	usm_to_depo_h%match_luvw = 0
2603	usm_to_depo_h%match_luww = 0
2604	CALL match_sm_zhang( surf_usm_h, usm_to_depo_h%match_lupg, usm_to_depo_h%match_luvw, &
2605	usm_to_depo_h%match_luww, match_lsm )
2606	DO l = 0, 3
2607	ALLOCATE( usm_to_depo_v(l)%match_lupg(1:surf_usm_v(l)%ns), &
2608	usm_to_depo_v(l)%match_luvw(1:surf_usm_v(l)%ns), &
2609	usm_to_depo_v(l)%match_luww(1:surf_usm_v(l)%ns) )
2610	usm_to_depo_v(l)%match_lupg = 0
2611	usm_to_depo_v(l)%match_luvw = 0
2612	usm_to_depo_v(l)%match_luww = 0
2613	CALL match_sm_zhang( surf_usm_v(l), usm_to_depo_v(l)%match_lupg, &
2614	usm_to_depo_v(l)%match_luvw, usm_to_depo_v(l)%match_luww, match_lsm )
2615	ENDDO
2616	ENDIF
2617
2618	IF ( nldepo_pcm ) THEN
2619	SELECT CASE ( depo_pcm_type )
2620	CASE ( 'evergreen_needleleaf' )
2621	depo_pcm_type_num = 1
2622	CASE ( 'evergreen_broadleaf' )
2623	depo_pcm_type_num = 2
2624	CASE ( 'deciduous_needleleaf' )
2625	depo_pcm_type_num = 3
2626	CASE ( 'deciduous_broadleaf' )
2627	depo_pcm_type_num = 4
2628	CASE DEFAULT
2629	message_string = 'depo_pcm_type not set correctly.'
2630	CALL message( 'salsa_mod: init_deposition', 'PA0613', 1, 2, 0, 6, 0 )
2631	END SELECT
2632	ENDIF
2633
2634	END SUBROUTINE init_deposition
2635
2636	!------------------------------------------------------------------------------!
2637	! Description:
2638	! ------------
2639	!> Match the surface types in PALM and Zhang et al. 2001 deposition module
2640	!------------------------------------------------------------------------------!
2641	SUBROUTINE match_sm_zhang( surf, match_pav_green, match_veg_wall, match_wat_win, match_lsm )
2642
2643	USE surface_mod, &
2644	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
2645
2646	IMPLICIT NONE
2647
2648	INTEGER(iwp) :: m !< index for surface elements
2649	INTEGER(iwp) :: pav_type_palm !< pavement / green wall type in PALM
2650	INTEGER(iwp) :: veg_type_palm !< vegetation / wall type in PALM
2651	INTEGER(iwp) :: wat_type_palm !< water / window type in PALM
2652
2653	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_pav_green !< matching pavement/green walls
2654	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_veg_wall !< matching vegetation/walls
2655	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_wat_win !< matching water/windows
2656
2657	LOGICAL, INTENT(in) :: match_lsm !< flag to initilise LSM surfaces (if false, initialise USM)
2658
2659	TYPE(surf_type), INTENT(in) :: surf !< respective surface type
2660
2661	DO m = 1, surf%ns
2662	IF ( match_lsm ) THEN
2663	!
2664	!-- Vegetation (LSM):
2665	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2666	veg_type_palm = surf%vegetation_type(m)
2667	SELECT CASE ( veg_type_palm )
2668	CASE ( 0 )
2669	message_string = 'No vegetation type defined.'
2670	CALL message( 'salsa_mod: init_depo_surfaces', 'PA0614', 1, 2, 0, 6, 0 )
2671	CASE ( 1 ) ! bare soil
2672	match_veg_wall(m) = 6 ! grass in Z01
2673	CASE ( 2 ) ! crops, mixed farming
2674	match_veg_wall(m) = 7 ! crops, mixed farming Z01
2675	CASE ( 3 ) ! short grass
2676	match_veg_wall(m) = 6 ! grass in Z01
2677	CASE ( 4 ) ! evergreen needleleaf trees
2678	match_veg_wall(m) = 1 ! evergreen needleleaf trees in Z01
2679	CASE ( 5 ) ! deciduous needleleaf trees
2680	match_veg_wall(m) = 3 ! deciduous needleleaf trees in Z01
2681	CASE ( 6 ) ! evergreen broadleaf trees
2682	match_veg_wall(m) = 2 ! evergreen broadleaf trees in Z01
2683	CASE ( 7 ) ! deciduous broadleaf trees
2684	match_veg_wall(m) = 4 ! deciduous broadleaf trees in Z01
2685	CASE ( 8 ) ! tall grass
2686	match_veg_wall(m) = 6 ! grass in Z01
2687	CASE ( 9 ) ! desert
2688	match_veg_wall(m) = 8 ! desert in Z01
2689	CASE ( 10 ) ! tundra
2690	match_veg_wall(m) = 9 ! tundra in Z01
2691	CASE ( 11 ) ! irrigated crops
2692	match_veg_wall(m) = 7 ! crops, mixed farming Z01
2693	CASE ( 12 ) ! semidesert
2694	match_veg_wall(m) = 8 ! desert in Z01
2695	CASE ( 13 ) ! ice caps and glaciers
2696	match_veg_wall(m) = 12 ! ice cap and glacier in Z01
2697	CASE ( 14 ) ! bogs and marshes
2698	match_veg_wall(m) = 11 ! wetland with plants in Z01
2699	CASE ( 15 ) ! evergreen shrubs
2700	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2701	CASE ( 16 ) ! deciduous shrubs
2702	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2703	CASE ( 17 ) ! mixed forest/woodland
2704	match_veg_wall(m) = 5 ! mixed broadleaf and needleleaf trees in Z01
2705	CASE ( 18 ) ! interrupted forest
2706	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2707	END SELECT
2708	ENDIF
2709	!
2710	!-- Pavement (LSM):
2711	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2712	pav_type_palm = surf%pavement_type(m)
2713	IF ( pav_type_palm == 0 ) THEN ! error
2714	message_string = 'No pavement type defined.'
2715	CALL message( 'salsa_mod: match_sm_zhang', 'PA0615', 1, 2, 0, 6, 0 )
2716	ELSE
2717	match_pav_green(m) = 15 ! urban in Z01
2718	ENDIF
2719	ENDIF
2720	!
2721	!-- Water (LSM):
2722	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2723	wat_type_palm = surf%water_type(m)
2724	IF ( wat_type_palm == 0 ) THEN ! error
2725	message_string = 'No water type defined.'
2726	CALL message( 'salsa_mod: match_sm_zhang', 'PA0616', 1, 2, 0, 6, 0 )
2727	ELSEIF ( wat_type_palm == 3 ) THEN
2728	match_wat_win(m) = 14 ! ocean in Z01
2729	ELSEIF ( wat_type_palm == 1 .OR. wat_type_palm == 2 .OR. wat_type_palm == 4 &
2730	.OR. wat_type_palm == 5 ) THEN
2731	match_wat_win(m) = 13 ! inland water in Z01
2732	ENDIF
2733	ENDIF
2734	ELSE
2735	!
2736	!-- Wall surfaces (USM):
2737	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2738	match_veg_wall(m) = 15 ! urban in Z01
2739	ENDIF
2740	!
2741	!-- Green walls and roofs (USM):
2742	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2743	match_pav_green(m) = 6 ! (short) grass in Z01
2744	ENDIF
2745	!
2746	!-- Windows (USM):
2747	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2748	match_wat_win(m) = 15 ! urban in Z01
2749	ENDIF
2750	ENDIF
2751
2752	ENDDO
2753
2754	END SUBROUTINE match_sm_zhang
2755
2756	!------------------------------------------------------------------------------!
2757	! Description:
2758	! ------------
2759	!> Swapping of timelevels
2760	!------------------------------------------------------------------------------!
2761	SUBROUTINE salsa_swap_timelevel( mod_count )
2762
2763	IMPLICIT NONE
2764
2765	INTEGER(iwp) :: ib !<
2766	INTEGER(iwp) :: ic !<
2767	INTEGER(iwp) :: icc !<
2768	INTEGER(iwp) :: ig !<
2769
2770	INTEGER(iwp), INTENT(IN) :: mod_count !<
2771
2772	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
2773
2774	SELECT CASE ( mod_count )
2775
2776	CASE ( 0 )
2777
2778	DO ib = 1, nbins_aerosol
2779	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2780	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2781
2782	DO ic = 1, ncomponents_mass
2783	icc = ( ic-1 ) * nbins_aerosol + ib
2784	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2785	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2786	ENDDO
2787	ENDDO
2788
2789	IF ( .NOT. salsa_gases_from_chem ) THEN
2790	DO ig = 1, ngases_salsa
2791	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2792	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2793	ENDDO
2794	ENDIF
2795
2796	CASE ( 1 )
2797
2798	DO ib = 1, nbins_aerosol
2799	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2800	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2801	DO ic = 1, ncomponents_mass
2802	icc = ( ic-1 ) * nbins_aerosol + ib
2803	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2804	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2805	ENDDO
2806	ENDDO
2807
2808	IF ( .NOT. salsa_gases_from_chem ) THEN
2809	DO ig = 1, ngases_salsa
2810	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2811	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2812	ENDDO
2813	ENDIF
2814
2815	END SELECT
2816
2817	ENDIF
2818
2819	END SUBROUTINE salsa_swap_timelevel
2820
2821
2822	!------------------------------------------------------------------------------!
2823	! Description:
2824	! ------------
2825	!> This routine reads the respective restart data.
2826	!------------------------------------------------------------------------------!
2827	SUBROUTINE salsa_rrd_local( k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, nxr_on_file, nynf, nync, &
2828	nyn_on_file, nysf, nysc, nys_on_file, tmp_3d, found )
2829
2830	USE control_parameters, &
2831	ONLY: length, restart_string
2832
2833	IMPLICIT NONE
2834
2835	INTEGER(iwp) :: ib !<
2836	INTEGER(iwp) :: ic !<
2837	INTEGER(iwp) :: ig !<
2838	INTEGER(iwp) :: k !<
2839	INTEGER(iwp) :: nxlc !<
2840	INTEGER(iwp) :: nxlf !<
2841	INTEGER(iwp) :: nxl_on_file !<
2842	INTEGER(iwp) :: nxrc !<
2843	INTEGER(iwp) :: nxrf !<
2844	INTEGER(iwp) :: nxr_on_file !<
2845	INTEGER(iwp) :: nync !<
2846	INTEGER(iwp) :: nynf !<
2847	INTEGER(iwp) :: nyn_on_file !<
2848	INTEGER(iwp) :: nysc !<
2849	INTEGER(iwp) :: nysf !<
2850	INTEGER(iwp) :: nys_on_file !<
2851
2852	LOGICAL, INTENT(OUT) :: found !<
2853
2854	REAL(wp), &
2855	DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !<
2856
2857	found = .FALSE.
2858
2859	IF ( read_restart_data_salsa ) THEN
2860
2861	SELECT CASE ( restart_string(1:length) )
2862
2863	CASE ( 'aerosol_number' )
2864	DO ib = 1, nbins_aerosol
2865	IF ( k == 1 ) READ ( 13 ) tmp_3d
2866	aerosol_number(ib)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2867	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2868	found = .TRUE.
2869	ENDDO
2870
2871	CASE ( 'aerosol_mass' )
2872	DO ic = 1, ncomponents_mass * nbins_aerosol
2873	IF ( k == 1 ) READ ( 13 ) tmp_3d
2874	aerosol_mass(ic)%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 ( 'salsa_gas' )
2880	DO ig = 1, ngases_salsa
2881	IF ( k == 1 ) READ ( 13 ) tmp_3d
2882	salsa_gas(ig)%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 DEFAULT
2888	found = .FALSE.
2889
2890	END SELECT
2891	ENDIF
2892
2893	END SUBROUTINE salsa_rrd_local
2894
2895	!------------------------------------------------------------------------------!
2896	! Description:
2897	! ------------
2898	!> This routine writes the respective restart data.
2899	!> Note that the following input variables in PARIN have to be equal between
2900	!> restart runs:
2901	!> listspec, nbin, nbin2, nf2a, ncc, mass_fracs_a, mass_fracs_b
2902	!------------------------------------------------------------------------------!
2903	SUBROUTINE salsa_wrd_local
2904
2905	USE control_parameters, &
2906	ONLY: write_binary
2907
2908	IMPLICIT NONE
2909
2910	INTEGER(iwp) :: ib !<
2911	INTEGER(iwp) :: ic !<
2912	INTEGER(iwp) :: ig !<
2913
2914	IF ( write_binary .AND. write_binary_salsa ) THEN
2915
2916	CALL wrd_write_string( 'aerosol_number' )
2917	DO ib = 1, nbins_aerosol
2918	WRITE ( 14 ) aerosol_number(ib)%conc
2919	ENDDO
2920
2921	CALL wrd_write_string( 'aerosol_mass' )
2922	DO ic = 1, nbins_aerosol * ncomponents_mass
2923	WRITE ( 14 ) aerosol_mass(ic)%conc
2924	ENDDO
2925
2926	CALL wrd_write_string( 'salsa_gas' )
2927	DO ig = 1, ngases_salsa
2928	WRITE ( 14 ) salsa_gas(ig)%conc
2929	ENDDO
2930
2931	ENDIF
2932
2933	END SUBROUTINE salsa_wrd_local
2934
2935	!------------------------------------------------------------------------------!
2936	! Description:
2937	! ------------
2938	!> Performs necessary unit and dimension conversion between the host model and
2939	!> SALSA module, and calls the main SALSA routine.
2940	!> Partially adobted form the original SALSA boxmodel version.
2941	!> Now takes masses in as kg/kg from LES!! Converted to m3/m3 for SALSA
2942	!> 05/2016 Juha: This routine is still pretty much in its original shape.
2943	!> It's dumb as a mule and twice as ugly, so implementation of
2944	!> an improved solution is necessary sooner or later.
2945	!> Juha Tonttila, FMI, 2014
2946	!> Jaakko Ahola, FMI, 2016
2947	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2948	!------------------------------------------------------------------------------!
2949	SUBROUTINE salsa_driver( i, j, prunmode )
2950
2951	USE arrays_3d, &
2952	ONLY: pt_p, q_p, u, v, w
2953
2954	USE plant_canopy_model_mod, &
2955	ONLY: lad_s
2956
2957	USE surface_mod, &
2958	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2959
2960	IMPLICIT NONE
2961
2962	INTEGER(iwp) :: endi !< end index
2963	INTEGER(iwp) :: ib !< loop index
2964	INTEGER(iwp) :: ic !< loop index
2965	INTEGER(iwp) :: ig !< loop index
2966	INTEGER(iwp) :: k_wall !< vertical index of topography top
2967	INTEGER(iwp) :: k !< loop index
2968	INTEGER(iwp) :: l !< loop index
2969	INTEGER(iwp) :: nc_h2o !< index of H2O in the prtcl index table
2970	INTEGER(iwp) :: ss !< loop index
2971	INTEGER(iwp) :: str !< start index
2972	INTEGER(iwp) :: vc !< default index in prtcl
2973
2974	INTEGER(iwp), INTENT(in) :: i !< loop index
2975	INTEGER(iwp), INTENT(in) :: j !< loop index
2976	INTEGER(iwp), INTENT(in) :: prunmode !< 1: Initialization, 2: Spinup, 3: Regular runtime
2977
2978	REAL(wp) :: cw_old !< previous H2O mixing ratio
2979	REAL(wp) :: flag !< flag to mask topography grid points
2980	REAL(wp) :: in_lad !< leaf area density (m2/m3)
2981	REAL(wp) :: in_rh !< relative humidity
2982	REAL(wp) :: zgso4 !< SO4
2983	REAL(wp) :: zghno3 !< HNO3
2984	REAL(wp) :: zgnh3 !< NH3
2985	REAL(wp) :: zgocnv !< non-volatile OC
2986	REAL(wp) :: zgocsv !< semi-volatile OC
2987
2988	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
2989	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cs !< H2O sat. vapour conc.
2990	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cw !< H2O vapour concentration
2991	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure (Pa)
2992	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
2993	REAL(wp), DIMENSION(nzb:nzt+1) :: in_u !< wind magnitude (m/s)
2994	REAL(wp), DIMENSION(nzb:nzt+1) :: kvis !< kinematic viscosity of air(m2/s)
2995	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor from ppm to #/m3
2996
2997	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: schmidt_num !< particle Schmidt number
2998	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: vd !< particle fall seed (m/s)
2999
3000	TYPE(t_section), DIMENSION(nbins_aerosol) :: lo_aero !< additional variable for OpenMP
3001	TYPE(t_section), DIMENSION(nbins_aerosol) :: aero_old !< helper array
3002
3003	aero_old(:)%numc = 0.0_wp
3004	in_lad = 0.0_wp
3005	in_u = 0.0_wp
3006	kvis = 0.0_wp
3007	lo_aero = aero
3008	schmidt_num = 0.0_wp
3009	vd = 0.0_wp
3010	zgso4 = nclim
3011	zghno3 = nclim
3012	zgnh3 = nclim
3013	zgocnv = nclim
3014	zgocsv = nclim
3015	!
3016	!-- Aerosol number is always set, but mass can be uninitialized
3017	DO ib = 1, nbins_aerosol
3018	lo_aero(ib)%volc(:) = 0.0_wp
3019	aero_old(ib)%volc(:) = 0.0_wp
3020	ENDDO
3021	!
3022	!-- Set the salsa runtime config (How to make this more efficient?)
3023	CALL set_salsa_runtime( prunmode )
3024	!
3025	!-- Calculate thermodynamic quantities needed in SALSA
3026	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 )
3027	!
3028	!-- Magnitude of wind: needed for deposition
3029	IF ( lsdepo ) THEN
3030	in_u(nzb+1:nzt) = SQRT( ( 0.5_wp * ( u(nzb+1:nzt,j,i) + u(nzb+1:nzt,j,i+1) ) )**2 + &
3031	( 0.5_wp * ( v(nzb+1:nzt,j,i) + v(nzb+1:nzt,j+1,i) ) )**2 + &
3032	( 0.5_wp * ( w(nzb:nzt-1,j,i) + w(nzb+1:nzt,j, i) ) )**2 )
3033	ENDIF
3034	!
3035	!-- Calculate conversion factors for gas concentrations
3036	ppm_to_nconc(:) = for_ppm_to_nconc * in_p(:) / in_t(:)
3037	!
3038	!-- Determine topography-top index on scalar grid
3039	k_wall = k_topo_top(j,i)
3040
3041	DO k = nzb+1, nzt
3042	!
3043	!-- Predetermine flag to mask topography
3044	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
3045	!
3046	!-- Wind velocity for dry depositon on vegetation
3047	IF ( lsdepo_pcm .AND. plant_canopy ) THEN
3048	in_lad = lad_s( MAX( k-k_wall,0 ),j,i)
3049	ENDIF
3050	!
3051	!-- For initialization and spinup, limit the RH with the parameter rhlim
3052	IF ( prunmode < 3 ) THEN
3053	in_cw(k) = MIN( in_cw(k), in_cs(k) * rhlim )
3054	ELSE
3055	in_cw(k) = in_cw(k)
3056	ENDIF
3057	cw_old = in_cw(k) !* in_adn(k)
3058	!
3059	!-- Set volume concentrations:
3060	!-- Sulphate (SO4) or sulphuric acid H2SO4
3061	IF ( index_so4 > 0 ) THEN
3062	vc = 1
3063	str = ( index_so4-1 ) * nbins_aerosol + 1 ! start index
3064	endi = index_so4 * nbins_aerosol ! end index
3065	ic = 1
3066	DO ss = str, endi
3067	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2so4
3068	ic = ic+1
3069	ENDDO
3070	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3071	ENDIF
3072	!
3073	!-- Organic carbon (OC) compounds
3074	IF ( index_oc > 0 ) THEN
3075	vc = 2
3076	str = ( index_oc-1 ) * nbins_aerosol + 1
3077	endi = index_oc * nbins_aerosol
3078	ic = 1
3079	DO ss = str, endi
3080	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhooc
3081	ic = ic+1
3082	ENDDO
3083	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3084	ENDIF
3085	!
3086	!-- Black carbon (BC)
3087	IF ( index_bc > 0 ) THEN
3088	vc = 3
3089	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
3090	endi = index_bc * nbins_aerosol
3091	ic = 1 + end_subrange_1a
3092	DO ss = str, endi
3093	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhobc
3094	ic = ic+1
3095	ENDDO
3096	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3097	ENDIF
3098	!
3099	!-- Dust (DU)
3100	IF ( index_du > 0 ) THEN
3101	vc = 4
3102	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
3103	endi = index_du * nbins_aerosol
3104	ic = 1 + end_subrange_1a
3105	DO ss = str, endi
3106	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhodu
3107	ic = ic+1
3108	ENDDO
3109	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3110	ENDIF
3111	!
3112	!-- Sea salt (SS)
3113	IF ( index_ss > 0 ) THEN
3114	vc = 5
3115	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
3116	endi = index_ss * nbins_aerosol
3117	ic = 1 + end_subrange_1a
3118	DO ss = str, endi
3119	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoss
3120	ic = ic+1
3121	ENDDO
3122	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3123	ENDIF
3124	!
3125	!-- Nitrate (NO(3-)) or nitric acid HNO3
3126	IF ( index_no > 0 ) THEN
3127	vc = 6
3128	str = ( index_no-1 ) * nbins_aerosol + 1
3129	endi = index_no * nbins_aerosol
3130	ic = 1
3131	DO ss = str, endi
3132	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhohno3
3133	ic = ic+1
3134	ENDDO
3135	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3136	ENDIF
3137	!
3138	!-- Ammonium (NH(4+)) or ammonia NH3
3139	IF ( index_nh > 0 ) THEN
3140	vc = 7
3141	str = ( index_nh-1 ) * nbins_aerosol + 1
3142	endi = index_nh * nbins_aerosol
3143	ic = 1
3144	DO ss = str, endi
3145	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhonh3
3146	ic = ic+1
3147	ENDDO
3148	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3149	ENDIF
3150	!
3151	!-- Water (always used)
3152	nc_h2o = get_index( prtcl,'H2O' )
3153	vc = 8
3154	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3155	endi = nc_h2o * nbins_aerosol
3156	ic = 1
3157	IF ( advect_particle_water ) THEN
3158	DO ss = str, endi
3159	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2o
3160	ic = ic+1
3161	ENDDO
3162	ELSE
3163	lo_aero(1:nbins_aerosol)%volc(vc) = mclim
3164	ENDIF
3165	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3166	!
3167	!-- Number concentrations (numc) and particle sizes
3168	!-- (dwet = wet diameter, core = dry volume)
3169	DO ib = 1, nbins_aerosol
3170	lo_aero(ib)%numc = aerosol_number(ib)%conc(k,j,i)
3171	aero_old(ib)%numc = lo_aero(ib)%numc
3172	IF ( lo_aero(ib)%numc > nclim ) THEN
3173	lo_aero(ib)%dwet = ( SUM( lo_aero(ib)%volc(:) ) / lo_aero(ib)%numc / api6 )**0.33333333_wp
3174	lo_aero(ib)%core = SUM( lo_aero(ib)%volc(1:7) ) / lo_aero(ib)%numc
3175	ELSE
3176	lo_aero(ib)%dwet = lo_aero(ib)%dmid
3177	lo_aero(ib)%core = api6 * ( lo_aero(ib)%dwet )**3
3178	ENDIF
3179	ENDDO
3180	!
3181	!-- Calculate the ambient sizes of particles by equilibrating soluble fraction of particles with
3182	!-- water using the ZSR method.
3183	in_rh = in_cw(k) / in_cs(k)
3184	IF ( prunmode==1 .OR. .NOT. advect_particle_water ) THEN
3185	CALL equilibration( in_rh, in_t(k), lo_aero, .TRUE. )
3186	ENDIF
3187	!
3188	!-- Gaseous tracer concentrations in #/m3
3189	IF ( salsa_gases_from_chem ) THEN
3190	!
3191	!-- Convert concentrations in ppm to #/m3
3192	zgso4 = chem_species(gas_index_chem(1))%conc(k,j,i) * ppm_to_nconc(k)
3193	zghno3 = chem_species(gas_index_chem(2))%conc(k,j,i) * ppm_to_nconc(k)
3194	zgnh3 = chem_species(gas_index_chem(3))%conc(k,j,i) * ppm_to_nconc(k)
3195	zgocnv = chem_species(gas_index_chem(4))%conc(k,j,i) * ppm_to_nconc(k)
3196	zgocsv = chem_species(gas_index_chem(5))%conc(k,j,i) * ppm_to_nconc(k)
3197	ELSE
3198	zgso4 = salsa_gas(1)%conc(k,j,i)
3199	zghno3 = salsa_gas(2)%conc(k,j,i)
3200	zgnh3 = salsa_gas(3)%conc(k,j,i)
3201	zgocnv = salsa_gas(4)%conc(k,j,i)
3202	zgocsv = salsa_gas(5)%conc(k,j,i)
3203	ENDIF
3204	!
3205	!-- Calculate aerosol processes:
3206	!-- *********************************************************************************************
3207	!
3208	!-- Coagulation
3209	IF ( lscoag ) THEN
3210	CALL coagulation( lo_aero, dt_salsa, in_t(k), in_p(k) )
3211	ENDIF
3212	!
3213	!-- Condensation
3214	IF ( lscnd ) THEN
3215	CALL condensation( lo_aero, zgso4, zgocnv, zgocsv, zghno3, zgnh3, in_cw(k), in_cs(k), &
3216	in_t(k), in_p(k), dt_salsa, prtcl )
3217	ENDIF
3218	!
3219	!-- Deposition
3220	IF ( lsdepo ) THEN
3221	CALL deposition( lo_aero, in_t(k), in_adn(k), in_u(k), in_lad, kvis(k), schmidt_num(k,:),&
3222	vd(k,:) )
3223	ENDIF
3224	!
3225	!-- Size distribution bin update
3226	IF ( lsdistupdate ) THEN
3227	CALL distr_update( lo_aero )
3228	ENDIF
3229	!-- *********************************************************************************************
3230
3231	IF ( lsdepo ) sedim_vd(k,j,i,:) = vd(k,:)
3232	!
3233	!-- Calculate changes in concentrations
3234	DO ib = 1, nbins_aerosol
3235	aerosol_number(ib)%conc(k,j,i) = aerosol_number(ib)%conc(k,j,i) + ( lo_aero(ib)%numc - &
3236	aero_old(ib)%numc ) * flag
3237	ENDDO
3238
3239	IF ( index_so4 > 0 ) THEN
3240	vc = 1
3241	str = ( index_so4-1 ) * nbins_aerosol + 1
3242	endi = index_so4 * nbins_aerosol
3243	ic = 1
3244	DO ss = str, endi
3245	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3246	aero_old(ic)%volc(vc) ) * arhoh2so4 * flag
3247	ic = ic+1
3248	ENDDO
3249	ENDIF
3250
3251	IF ( index_oc > 0 ) THEN
3252	vc = 2
3253	str = ( index_oc-1 ) * nbins_aerosol + 1
3254	endi = index_oc * nbins_aerosol
3255	ic = 1
3256	DO ss = str, endi
3257	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3258	aero_old(ic)%volc(vc) ) * arhooc * flag
3259	ic = ic+1
3260	ENDDO
3261	ENDIF
3262
3263	IF ( index_bc > 0 ) THEN
3264	vc = 3
3265	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
3266	endi = index_bc * nbins_aerosol
3267	ic = 1 + end_subrange_1a
3268	DO ss = str, endi
3269	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3270	aero_old(ic)%volc(vc) ) * arhobc * flag
3271	ic = ic+1
3272	ENDDO
3273	ENDIF
3274
3275	IF ( index_du > 0 ) THEN
3276	vc = 4
3277	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
3278	endi = index_du * nbins_aerosol
3279	ic = 1 + end_subrange_1a
3280	DO ss = str, endi
3281	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3282	aero_old(ic)%volc(vc) ) * arhodu * flag
3283	ic = ic+1
3284	ENDDO
3285	ENDIF
3286
3287	IF ( index_ss > 0 ) THEN
3288	vc = 5
3289	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
3290	endi = index_ss * nbins_aerosol
3291	ic = 1 + end_subrange_1a
3292	DO ss = str, endi
3293	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3294	aero_old(ic)%volc(vc) ) * arhoss * flag
3295	ic = ic+1
3296	ENDDO
3297	ENDIF
3298
3299	IF ( index_no > 0 ) THEN
3300	vc = 6
3301	str = ( index_no-1 ) * nbins_aerosol + 1
3302	endi = index_no * nbins_aerosol
3303	ic = 1
3304	DO ss = str, endi
3305	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3306	aero_old(ic)%volc(vc) ) * arhohno3 * flag
3307	ic = ic+1
3308	ENDDO
3309	ENDIF
3310
3311	IF ( index_nh > 0 ) THEN
3312	vc = 7
3313	str = ( index_nh-1 ) * nbins_aerosol + 1
3314	endi = index_nh * nbins_aerosol
3315	ic = 1
3316	DO ss = str, endi
3317	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3318	aero_old(ic)%volc(vc) ) * arhonh3 * flag
3319	ic = ic+1
3320	ENDDO
3321	ENDIF
3322
3323	IF ( advect_particle_water ) THEN
3324	nc_h2o = get_index( prtcl,'H2O' )
3325	vc = 8
3326	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3327	endi = nc_h2o * nbins_aerosol
3328	ic = 1
3329	DO ss = str, endi
3330	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3331	aero_old(ic)%volc(vc) ) * arhoh2o * flag
3332	ic = ic+1
3333	ENDDO
3334	ENDIF
3335	IF ( prunmode == 1 ) THEN
3336	nc_h2o = get_index( prtcl,'H2O' )
3337	vc = 8
3338	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3339	endi = nc_h2o * nbins_aerosol
3340	ic = 1
3341	DO ss = str, endi
3342	aerosol_mass(ss)%init(k) = MAX( aerosol_mass(ss)%init(k), ( lo_aero(ic)%volc(vc) - &
3343	aero_old(ic)%volc(vc) ) * arhoh2o )
3344	IF ( k == nzb+1 ) THEN
3345	aerosol_mass(ss)%init(k-1) = aerosol_mass(ss)%init(k)
3346	ELSEIF ( k == nzt ) THEN
3347	aerosol_mass(ss)%init(k+1) = aerosol_mass(ss)%init(k)
3348	aerosol_mass(ss)%conc(k+1,j,i) = aerosol_mass(ss)%init(k)
3349	ENDIF
3350	ic = ic+1
3351	ENDDO
3352	ENDIF
3353	!
3354	!-- Condensation of precursor gases
3355	IF ( lscndgas ) THEN
3356	IF ( salsa_gases_from_chem ) THEN
3357	!
3358	!-- SO4 (or H2SO4)
3359	ig = gas_index_chem(1)
3360	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgso4 / &
3361	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3362	!
3363	!-- HNO3
3364	ig = gas_index_chem(2)
3365	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zghno3 / &
3366	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3367	!
3368	!-- NH3
3369	ig = gas_index_chem(3)
3370	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgnh3 / &
3371	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3372	!
3373	!-- non-volatile OC
3374	ig = gas_index_chem(4)
3375	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocnv / &
3376	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3377	!
3378	!-- semi-volatile OC
3379	ig = gas_index_chem(5)
3380	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocsv / &
3381	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3382
3383	ELSE
3384	!
3385	!-- SO4 (or H2SO4)
3386	salsa_gas(1)%conc(k,j,i) = salsa_gas(1)%conc(k,j,i) + ( zgso4 - &
3387	salsa_gas(1)%conc(k,j,i) ) * flag
3388	!
3389	!-- HNO3
3390	salsa_gas(2)%conc(k,j,i) = salsa_gas(2)%conc(k,j,i) + ( zghno3 - &
3391	salsa_gas(2)%conc(k,j,i) ) * flag
3392	!
3393	!-- NH3
3394	salsa_gas(3)%conc(k,j,i) = salsa_gas(3)%conc(k,j,i) + ( zgnh3 - &
3395	salsa_gas(3)%conc(k,j,i) ) * flag
3396	!
3397	!-- non-volatile OC
3398	salsa_gas(4)%conc(k,j,i) = salsa_gas(4)%conc(k,j,i) + ( zgocnv - &
3399	salsa_gas(4)%conc(k,j,i) ) * flag
3400	!
3401	!-- semi-volatile OC
3402	salsa_gas(5)%conc(k,j,i) = salsa_gas(5)%conc(k,j,i) + ( zgocsv - &
3403	salsa_gas(5)%conc(k,j,i) ) * flag
3404	ENDIF
3405	ENDIF
3406	!
3407	!-- Tendency of water vapour mixing ratio is obtained from the change in RH during SALSA run.
3408	!-- This releases heat and changes pt. Assumes no temperature change during SALSA run.
3409	!-- q = r / (1+r), Euler method for integration
3410	!
3411	IF ( feedback_to_palm ) THEN
3412	q_p(k,j,i) = q_p(k,j,i) + 1.0_wp / ( in_cw(k) * in_adn(k) + 1.0_wp )*2 &
3413	( in_cw(k) - cw_old ) * in_adn(k) * flag
3414	pt_p(k,j,i) = pt_p(k,j,i) + alv / c_p * ( in_cw(k) - cw_old ) * in_adn(k) / ( in_cw(k) / &
3415	in_adn(k) + 1.0_wp )*2 pt_p(k,j,i) / in_t(k) * flag
3416	ENDIF
3417
3418	ENDDO ! k
3419
3420	!
3421	!-- Set surfaces and wall fluxes due to deposition
3422	IF ( lsdepo .AND. lsdepo_surf .AND. prunmode == 3 ) THEN
3423	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
3424	CALL depo_surf( i, j, surf_def_h(0), vd, schmidt_num, kvis, in_u, .TRUE. )
3425	DO l = 0, 3
3426	CALL depo_surf( i, j, surf_def_v(l), vd, schmidt_num, kvis, in_u, .FALSE. )
3427	ENDDO
3428	ELSE
3429	CALL depo_surf( i, j, surf_usm_h, vd, schmidt_num, kvis, in_u, .TRUE., usm_to_depo_h )
3430	DO l = 0, 3
3431	CALL depo_surf( i, j, surf_usm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., &
3432	usm_to_depo_v(l) )
3433	ENDDO
3434	CALL depo_surf( i, j, surf_lsm_h, vd, schmidt_num, kvis, in_u, .TRUE., lsm_to_depo_h )
3435	DO l = 0, 3
3436	CALL depo_surf( i, j, surf_lsm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., &
3437	lsm_to_depo_v(l) )
3438	ENDDO
3439	ENDIF
3440	ENDIF
3441
3442	IF ( prunmode < 3 ) THEN
3443	!$OMP MASTER
3444	aero = lo_aero
3445	!$OMP END MASTER
3446	END IF
3447
3448	END SUBROUTINE salsa_driver
3449
3450	!------------------------------------------------------------------------------!
3451	! Description:
3452	! ------------
3453	!> Set logical switches according to the salsa_parameters options.
3454	!> Juha Tonttila, FMI, 2014
3455	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
3456	!------------------------------------------------------------------------------!
3457	SUBROUTINE set_salsa_runtime( prunmode )
3458
3459	IMPLICIT NONE
3460
3461	INTEGER(iwp), INTENT(in) :: prunmode
3462
3463	SELECT CASE(prunmode)
3464
3465	CASE(1) !< Initialization
3466	lscoag = .FALSE.
3467	lscnd = .FALSE.
3468	lscndgas = .FALSE.
3469	lscndh2oae = .FALSE.
3470	lsdepo = .FALSE.
3471	lsdepo_pcm = .FALSE.
3472	lsdepo_surf = .FALSE.
3473	lsdistupdate = .TRUE.
3474	lspartition = .FALSE.
3475
3476	CASE(2) !< Spinup period
3477	lscoag = ( .FALSE. .AND. nlcoag )
3478	lscnd = ( .TRUE. .AND. nlcnd )
3479	lscndgas = ( .TRUE. .AND. nlcndgas )
3480	lscndh2oae = ( .TRUE. .AND. nlcndh2oae )
3481
3482	CASE(3) !< Run
3483	lscoag = nlcoag
3484	lscnd = nlcnd
3485	lscndgas = nlcndgas
3486	lscndh2oae = nlcndh2oae
3487	lsdepo = nldepo
3488	lsdepo_pcm = nldepo_pcm
3489	lsdepo_surf = nldepo_surf
3490	lsdistupdate = nldistupdate
3491	END SELECT
3492
3493
3494	END SUBROUTINE set_salsa_runtime
3495
3496	!------------------------------------------------------------------------------!
3497	! Description:
3498	! ------------
3499	!> Calculates the absolute temperature (using hydrostatic pressure), saturation
3500	!> vapour pressure and mixing ratio over water, relative humidity and air
3501	!> density needed in the SALSA model.
3502	!> NOTE, no saturation adjustment takes place -> the resulting water vapour
3503	!> mixing ratio can be supersaturated, allowing the microphysical calculations
3504	!> in SALSA.
3505	!
3506	!> Juha Tonttila, FMI, 2014 (original SALSAthrm)
3507	!> Mona Kurppa, UHel, 2017 (adjustment for PALM and only aerosol processes)
3508	!------------------------------------------------------------------------------!
3509	SUBROUTINE salsa_thrm_ij( i, j, p_ij, temp_ij, cw_ij, cs_ij, adn_ij )
3510
3511	USE arrays_3d, &
3512	ONLY: pt, q, zu
3513
3514	USE basic_constants_and_equations_mod, &
3515	ONLY: barometric_formula, exner_function, ideal_gas_law_rho, magnus
3516
3517	IMPLICIT NONE
3518
3519	INTEGER(iwp), INTENT(in) :: i !<
3520	INTEGER(iwp), INTENT(in) :: j !<
3521
3522	REAL(wp) :: t_surface !< absolute surface temperature (K)
3523
3524	REAL(wp), DIMENSION(nzb:nzt+1) :: e_s !< saturation vapour pressure over water (Pa)
3525
3526	REAL(wp), DIMENSION(:), INTENT(inout) :: adn_ij !< air density (kg/m3)
3527	REAL(wp), DIMENSION(:), INTENT(inout) :: p_ij !< air pressure (Pa)
3528	REAL(wp), DIMENSION(:), INTENT(inout) :: temp_ij !< air temperature (K)
3529
3530	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cw_ij !< water vapour concentration (kg/m3)
3531	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cs_ij !< saturation water vap. conc.(kg/m3)
3532	!
3533	!-- Pressure p_ijk (Pa) = hydrostatic pressure
3534	t_surface = pt_surface * exner_function( surface_pressure * 100.0_wp )
3535	p_ij(:) = barometric_formula( zu, t_surface, surface_pressure * 100.0_wp )
3536	!
3537	!-- Absolute ambient temperature (K)
3538	temp_ij(:) = pt(:,j,i) * exner_function( p_ij(:) )
3539	!
3540	!-- Air density
3541	adn_ij(:) = ideal_gas_law_rho( p_ij(:), temp_ij(:) )
3542	!
3543	!-- Water vapour concentration r_v (kg/m3)
3544	IF ( PRESENT( cw_ij ) ) THEN
3545	cw_ij(:) = ( q(:,j,i) / ( 1.0_wp - q(:,j,i) ) ) * adn_ij(:)
3546	ENDIF
3547	!
3548	!-- Saturation mixing ratio r_s (kg/kg) from vapour pressure at temp (Pa)
3549	IF ( PRESENT( cs_ij ) ) THEN
3550	e_s(:) = 611.0_wp * EXP( alv_d_rv * ( 3.6609E-3_wp - 1.0_wp / &
3551	temp_ij(:) ) )! magnus( temp_ij(:) )
3552	cs_ij(:) = ( 0.622_wp * e_s / ( p_ij(:) - e_s(:) ) ) * adn_ij(:)
3553	ENDIF
3554
3555	END SUBROUTINE salsa_thrm_ij
3556
3557	!------------------------------------------------------------------------------!
3558	! Description:
3559	! ------------
3560	!> Calculates ambient sizes of particles by equilibrating soluble fraction of
3561	!> particles with water using the ZSR method (Stokes and Robinson, 1966).
3562	!> Method:
3563	!> Following chemical components are assumed water-soluble
3564	!> - (ammonium) sulphate (100%)
3565	!> - sea salt (100 %)
3566	!> - organic carbon (epsoc * 100%)
3567	!> Exact thermodynamic considerations neglected.
3568	!> - If particles contain no sea salt, calculation according to sulphate
3569	!> properties
3570	!> - If contain sea salt but no sulphate, calculation according to sea salt
3571	!> properties
3572	!> - If contain both sulphate and sea salt -> the molar fraction of these
3573	!> compounds determines which one of them is used as the basis of calculation.
3574	!> If sulphate and sea salt coexist in a particle, it is assumed that the Cl is
3575	!> replaced by sulphate; thus only either sulphate + organics or sea salt +
3576	!> organics is included in the calculation of soluble fraction.
3577	!> Molality parameterizations taken from Table 1 of Tang: Thermodynamic and
3578	!> optical properties of mixed-salt aerosols of atmospheric importance,
3579	!> J. Geophys. Res., 102 (D2), 1883-1893 (1997)
3580	!
3581	!> Coded by:
3582	!> Hannele Korhonen (FMI) 2005
3583	!> Harri Kokkola (FMI) 2006
3584	!> Matti Niskanen(FMI) 2012
3585	!> Anton Laakso (FMI) 2013
3586	!> Modified for the new aerosol datatype, Juha Tonttila (FMI) 2014
3587	!
3588	!> fxm: should sea salt form a solid particle when prh is very low (even though
3589	!> it could be mixed with e.g. sulphate)?
3590	!> fxm: crashes if no sulphate or sea salt
3591	!> fxm: do we really need to consider Kelvin effect for subrange 2
3592	!------------------------------------------------------------------------------!
3593	SUBROUTINE equilibration( prh, ptemp, paero, init )
3594
3595	IMPLICIT NONE
3596
3597	INTEGER(iwp) :: ib !< loop index
3598	INTEGER(iwp) :: counti !< loop index
3599
3600	LOGICAL, INTENT(in) :: init !< TRUE: Initialization, FALSE: Normal runtime: update water
3601	!< content only for 1a
3602
3603	REAL(wp) :: zaw !< water activity [0-1]
3604	REAL(wp) :: zcore !< Volume of dry particle
3605	REAL(wp) :: zdold !< Old diameter
3606	REAL(wp) :: zdwet !< Wet diameter or mean droplet diameter
3607	REAL(wp) :: zke !< Kelvin term in the KÃ¶hler equation
3608	REAL(wp) :: zlwc !< liquid water content [kg/m3-air]
3609	REAL(wp) :: zrh !< Relative humidity
3610
3611	REAL(wp), DIMENSION(maxspec) :: zbinmol !< binary molality of each components (mol/kg)
3612	REAL(wp), DIMENSION(maxspec) :: zvpart !< volume of chem. compounds in one particle
3613
3614	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
3615	REAL(wp), INTENT(in) :: ptemp !< temperature (K)
3616
3617	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3618
3619	zaw = 0.0_wp
3620	zlwc = 0.0_wp
3621	!
3622	!-- Relative humidity:
3623	zrh = prh
3624	zrh = MAX( zrh, 0.05_wp )
3625	zrh = MIN( zrh, 0.98_wp)
3626	!
3627	!-- 1) Regime 1: sulphate and partly water-soluble OC. Done for every CALL
3628	DO ib = start_subrange_1a, end_subrange_1a ! size bin
3629
3630	zbinmol = 0.0_wp
3631	zdold = 1.0_wp
3632	zke = 1.02_wp
3633
3634	IF ( paero(ib)%numc > nclim ) THEN
3635	!
3636	!-- Volume in one particle
3637	zvpart = 0.0_wp
3638	zvpart(1:2) = paero(ib)%volc(1:2) / paero(ib)%numc
3639	zvpart(6:7) = paero(ib)%volc(6:7) / paero(ib)%numc
3640	!
3641	!-- Total volume and wet diameter of one dry particle
3642	zcore = SUM( zvpart(1:2) )
3643	zdwet = paero(ib)%dwet
3644
3645	counti = 0
3646	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-2_wp )
3647
3648	zdold = MAX( zdwet, 1.0E-20_wp )
3649	zaw = MAX( 1.0E-3_wp, zrh / zke ) ! To avoid underflow
3650	!
3651	!-- Binary molalities (mol/kg):
3652	!-- Sulphate
3653	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3654	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3655	!-- Organic carbon
3656	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3657	!-- Nitric acid
3658	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - 6.210577919E+1_wp * zaw**2 &
3659	+ 5.510176187E+2_wp * zaw*3 - 1.460055286E+3_wp zaw**4 &
3660	+ 1.894467542E+3_wp * zaw*5 - 1.220611402E+3_wp zaw**6 &
3661	+ 3.098597737E+2_wp * zaw**7
3662	!
3663	!-- Calculate the liquid water content (kg/m3-air) using ZSR (see e.g. Eq. 10.98 in
3664	!-- Seinfeld and Pandis (2006))
3665	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3666	epsoc * paero(ib)%volc(2) * ( arhooc / amoc ) / zbinmol(2) + &
3667	( paero(ib)%volc(6) * ( arhohno3/amhno3 ) ) / zbinmol(6)
3668	!
3669	!-- Particle wet diameter (m)
3670	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3671	zcore / api6 )**0.33333333_wp
3672	!
3673	!-- Kelvin effect (Eq. 10.85 in in Seinfeld and Pandis (2006)). Avoid
3674	!-- overflow.
3675	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * ptemp * zdwet ) ) )
3676
3677	counti = counti + 1
3678	IF ( counti > 1000 ) THEN
3679	message_string = 'Subrange 1: no convergence!'
3680	CALL message( 'salsa_mod: equilibration', 'PA0617', 1, 2, 0, 6, 0 )
3681	ENDIF
3682	ENDDO
3683	!
3684	!-- Instead of lwc, use the volume concentration of water from now on
3685	!-- (easy to convert...)
3686	paero(ib)%volc(8) = zlwc / arhoh2o
3687	!
3688	!-- If this is initialization, update the core and wet diameter
3689	IF ( init ) THEN
3690	paero(ib)%dwet = zdwet
3691	paero(ib)%core = zcore
3692	ENDIF
3693
3694	ELSE
3695	!-- If initialization
3696	!-- 1.2) empty bins given bin average values
3697	IF ( init ) THEN
3698	paero(ib)%dwet = paero(ib)%dmid
3699	paero(ib)%core = api6 * paero(ib)%dmid**3
3700	ENDIF
3701
3702	ENDIF
3703
3704	ENDDO ! ib
3705	!
3706	!-- 2) Regime 2a: sulphate, OC, BC and sea salt
3707	!-- This is done only for initialization call, otherwise the water contents
3708	!-- are computed via condensation
3709	IF ( init ) THEN
3710	DO ib = start_subrange_2a, end_subrange_2b
3711	!
3712	!-- Initialize
3713	zke = 1.02_wp
3714	zbinmol = 0.0_wp
3715	zdold = 1.0_wp
3716	!
3717	!-- 1) Particle properties calculated for non-empty bins
3718	IF ( paero(ib)%numc > nclim ) THEN
3719	!
3720	!-- Volume in one particle [fxm]
3721	zvpart = 0.0_wp
3722	zvpart(1:7) = paero(ib)%volc(1:7) / paero(ib)%numc
3723	!
3724	!-- Total volume and wet diameter of one dry particle [fxm]
3725	zcore = SUM( zvpart(1:5) )
3726	zdwet = paero(ib)%dwet
3727
3728	counti = 0
3729	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-12_wp )
3730
3731	zdold = MAX( zdwet, 1.0E-20_wp )
3732	zaw = zrh / zke
3733	!
3734	!-- Binary molalities (mol/kg):
3735	!-- Sulphate
3736	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3737	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3738	!-- Organic carbon
3739	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3740	!-- Nitric acid
3741	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - &
3742	6.210577919E+1_wp * zaw*2 + 5.510176187E+2_wp zaw**3 - &
3743	1.460055286E+3_wp * zaw*4 + 1.894467542E+3_wp zaw**5 - &
3744	1.220611402E+3_wp * zaw*6 + 3.098597737E+2_wp zaw**7
3745	!-- Sea salt (natrium chloride)
3746	zbinmol(5) = 5.875248E+1_wp - 1.8781997E+2_wp * zaw + 2.7211377E+2_wp * zaw**2 - &
3747	1.8458287E+2_wp * zaw*3 + 4.153689E+1_wp zaw**4
3748	!
3749	!-- Calculate the liquid water content (kg/m3-air)
3750	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3751	epsoc * ( paero(ib)%volc(2) * ( arhooc / amoc ) ) / zbinmol(2) + &
3752	( paero(ib)%volc(6) * ( arhohno3 / amhno3 ) ) / zbinmol(6) + &
3753	( paero(ib)%volc(5) * ( arhoss / amss ) ) / zbinmol(5)
3754
3755	!-- Particle wet radius (m)
3756	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3757	zcore / api6 )**0.33333333_wp
3758	!
3759	!-- Kelvin effect (Eq. 10.85 in Seinfeld and Pandis (2006))
3760	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * zdwet * ptemp ) ) )
3761
3762	counti = counti + 1
3763	IF ( counti > 1000 ) THEN
3764	message_string = 'Subrange 2: no convergence!'
3765	CALL message( 'salsa_mod: equilibration', 'PA0618', 1, 2, 0, 6, 0 )
3766	ENDIF
3767	ENDDO
3768	!
3769	!-- Liquid water content; instead of LWC use the volume concentration
3770	paero(ib)%volc(8) = zlwc / arhoh2o
3771	paero(ib)%dwet = zdwet
3772	paero(ib)%core = zcore
3773
3774	ELSE
3775	!-- 2.2) empty bins given bin average values
3776	paero(ib)%dwet = paero(ib)%dmid
3777	paero(ib)%core = api6 * paero(ib)%dmid**3
3778	ENDIF
3779
3780	ENDDO ! ib
3781	ENDIF
3782
3783	END SUBROUTINE equilibration
3784
3785	!------------------------------------------------------------------------------!
3786	!> Description:
3787	!> ------------
3788	!> Calculation of the settling velocity vc (m/s) per aerosol size bin and
3789	!> deposition on plant canopy (lsdepo_pcm).
3790	!
3791	!> Deposition is based on either the scheme presented in:
3792	!> Zhang et al. (2001), Atmos. Environ. 35, 549-560 (includes collection due to
3793	!> Brownian diffusion, impaction, interception and sedimentation; hereafter ZO1)
3794	!> OR
3795	!> Petroff & Zhang (2010), Geosci. Model Dev. 3, 753-769 (includes also
3796	!> collection due to turbulent impaction, hereafter P10)
3797	!
3798	!> Equation numbers refer to equation in Jacobson (2005): Fundamentals of
3799	!> Atmospheric Modeling, 2nd Edition.
3800	!
3801	!> Subroutine follows closely sedim_SALSA in UCLALES-SALSA written by Juha
3802	!> Tonttila (KIT/FMI) and Zubair Maalick (UEF).
3803	!> Rewritten to PALM by Mona Kurppa (UH), 2017.
3804	!
3805	!> Call for grid point i,j,k
3806	!------------------------------------------------------------------------------!
3807
3808	SUBROUTINE deposition( paero, tk, adn, mag_u, lad, kvis, schmidt_num, vc )
3809
3810	USE plant_canopy_model_mod, &
3811	ONLY: cdc
3812
3813	IMPLICIT NONE
3814
3815	INTEGER(iwp) :: ib !< loop index
3816	INTEGER(iwp) :: ic !< loop index
3817
3818	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3819	REAL(wp) :: avis !< molecular viscocity of air (kg/(m*s))
3820	REAL(wp) :: beta_im !< parameter for turbulent impaction
3821	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3822	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3823	REAL(wp) :: c_interception !< coefficient for interception
3824	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3825	REAL(wp) :: depo !< deposition velocity (m/s)
3826	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3827	REAL(wp) :: lambda !< molecular mean free path (m)
3828	REAL(wp) :: mdiff !< particle diffusivity coefficient
3829	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3830	!< Table 3 in Z01
3831	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3832	REAL(wp) :: pdn !< particle density (kg/m3)
3833	REAL(wp) :: ustar !< friction velocity (m/s)
3834	REAL(wp) :: va !< thermal speed of an air molecule (m/s)
3835
3836	REAL(wp), INTENT(in) :: adn !< air density (kg/m3)
3837	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3838	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3839	REAL(wp), INTENT(in) :: tk !< abs.temperature (K)
3840
3841	REAL(wp), INTENT(inout) :: kvis !< kinematic viscosity of air (m2/s)
3842
3843	REAL(wp), DIMENSION(nbins_aerosol) :: beta !< Cunningham slip-flow correction factor
3844	REAL(wp), DIMENSION(nbins_aerosol) :: Kn !< Knudsen number
3845	REAL(wp), DIMENSION(nbins_aerosol) :: zdwet !< wet diameter (m)
3846
3847	REAL(wp), DIMENSION(:), INTENT(inout) :: schmidt_num !< particle Schmidt number
3848	REAL(wp), DIMENSION(:), INTENT(inout) :: vc !< critical fall speed i.e. settling velocity of
3849	!< an aerosol particle (m/s)
3850
3851	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3852	!
3853	!-- Initialise
3854	depo = 0.0_wp
3855	pdn = 1500.0_wp ! default value
3856	ustar = 0.0_wp
3857	!
3858	!-- Molecular viscosity of air (Eq. 4.54)
3859	avis = 1.8325E-5_wp * ( 416.16_wp / ( tk + 120.0_wp ) ) * ( tk / 296.16_wp )**1.5_wp
3860	!
3861	!-- Kinematic viscosity (Eq. 4.55)
3862	kvis = avis / adn
3863	!
3864	!-- Thermal velocity of an air molecule (Eq. 15.32)
3865	va = SQRT( 8.0_wp * abo * tk / ( pi * am_airmol ) )
3866	!
3867	!-- Mean free path (m) (Eq. 15.24)
3868	lambda = 2.0_wp * avis / ( adn * va )
3869	!
3870	!-- Particle wet diameter (m)
3871	zdwet = paero(:)%dwet
3872	!
3873	!-- Knudsen number (Eq. 15.23)
3874	Kn = MAX( 1.0E-2_wp, lambda / ( zdwet * 0.5_wp ) ) ! To avoid underflow
3875	!
3876	!-- Cunningham slip-flow correction (Eq. 15.30)
3877	beta = 1.0_wp + Kn * ( 1.249_wp + 0.42_wp * EXP( -0.87_wp / Kn ) )
3878	!
3879	!-- Critical fall speed i.e. settling velocity (Eq. 20.4)
3880	vc = MIN( 1.0_wp, zdwet*2 ( pdn - adn ) * g * beta / ( 18.0_wp * avis ) )
3881	!
3882	!-- Deposition on vegetation
3883	IF ( lsdepo_pcm .AND. plant_canopy .AND. lad > 0.0_wp ) THEN
3884	!
3885	!-- Parameters for the land use category 'deciduous broadleaf trees'(Table 3)
3886	alpha = alpha_z01(depo_pcm_type_num)
3887	gamma = gamma_z01(depo_pcm_type_num)
3888	par_a = A_z01(depo_pcm_type_num, season_z01) * 1.0E-3_wp
3889	!
3890	!-- Deposition efficiencies from Table 1. Constants from Table 2.
3891	par_l = l_p10(depo_pcm_type_num) * 0.01_wp
3892	c_brownian_diff = c_b_p10(depo_pcm_type_num)
3893	c_interception = c_in_p10(depo_pcm_type_num)
3894	c_impaction = c_im_p10(depo_pcm_type_num)
3895	beta_im = beta_im_p10(depo_pcm_type_num)
3896	c_turb_impaction = c_it_p10(depo_pcm_type_num)
3897
3898	DO ib = 1, nbins_aerosol
3899
3900	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
3901
3902	!-- Particle diffusivity coefficient (Eq. 15.29)
3903	mdiff = ( abo * tk * beta(ib) ) / ( 3.0_wp * pi * avis * zdwet(ib) )
3904	!
3905	!-- Particle Schmidt number (Eq. 15.36)
3906	schmidt_num(ib) = kvis / mdiff
3907	!
3908	!-- Friction velocity for deposition on vegetation. Calculated following Prandtl (1925):
3909	ustar = SQRT( cdc ) * mag_u
3910	SELECT CASE ( depo_pcm_par_num )
3911
3912	CASE ( 1 ) ! Zhang et al. (2001)
3913	CALL depo_vel_Z01( vc(ib), ustar, schmidt_num(ib), paero(ib)%dwet, alpha, gamma, &
3914	par_a, depo )
3915	CASE ( 2 ) ! Petroff & Zhang (2010)
3916	CALL depo_vel_P10( vc(ib), mag_u, ustar, kvis, schmidt_num(ib), paero(ib)%dwet, &
3917	par_l, c_brownian_diff, c_interception, c_impaction, beta_im, &
3918	c_turb_impaction, depo )
3919	END SELECT
3920	!
3921	!-- Calculate the change in concentrations
3922	paero(ib)%numc = paero(ib)%numc - depo * lad * paero(ib)%numc * dt_salsa
3923	DO ic = 1, maxspec+1
3924	paero(ib)%volc(ic) = paero(ib)%volc(ic) - depo * lad * paero(ib)%volc(ic) * dt_salsa
3925	ENDDO
3926	ENDDO
3927
3928	ENDIF
3929
3930	END SUBROUTINE deposition
3931
3932	!------------------------------------------------------------------------------!
3933	! Description:
3934	! ------------
3935	!> Calculate deposition velocity (m/s) based on Zhan et al. (2001, case 1).
3936	!------------------------------------------------------------------------------!
3937
3938	SUBROUTINE depo_vel_Z01( vc, ustar, schmidt_num, diameter, alpha, gamma, par_a, depo )
3939
3940	IMPLICIT NONE
3941
3942	REAL(wp) :: rs !< overall quasi-laminar resistance for particles
3943	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3944
3945	REAL(wp), INTENT(in) :: alpha !< parameter, Table 3 in Z01
3946	REAL(wp), INTENT(in) :: gamma !< parameter, Table 3 in Z01
3947	REAL(wp), INTENT(in) :: par_a !< parameter A for the characteristic diameter of
3948	!< collectors, Table 3 in Z01
3949	REAL(wp), INTENT(in) :: diameter !< particle diameter
3950	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
3951	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
3952	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
3953
3954	REAL(wp), INTENT(inout) :: depo !< deposition efficiency (m/s)
3955
3956	IF ( par_a > 0.0_wp ) THEN
3957	!
3958	!-- Initialise
3959	rs = 0.0_wp
3960	!
3961	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3962	stokes_num = vc * ustar / ( g * par_a )
3963	!
3964	!-- The overall quasi-laminar resistance for particles (Zhang et al., Eq. 5)
3965	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * ustar * EXP( -stokes_num*0.5_wp ) &
3966	( schmidt_num( -gamma ) + ( stokes_num / ( alpha + stokes_num ) )2 + &
3967	0.5_wp * ( diameter / par_a )**2 ) ) )
3968
3969	depo = rs + vc
3970
3971	ELSE
3972	depo = 0.0_wp
3973	ENDIF
3974
3975	END SUBROUTINE depo_vel_Z01
3976
3977	!------------------------------------------------------------------------------!
3978	! Description:
3979	! ------------
3980	!> Calculate deposition velocity (m/s) based on Petroff & Zhang (2010, case 2).
3981	!------------------------------------------------------------------------------!
3982
3983	SUBROUTINE depo_vel_P10( vc, mag_u, ustar, kvis_a, schmidt_num, diameter, par_l, c_brownian_diff, &
3984	c_interception, c_impaction, beta_im, c_turb_impaction, depo )
3985
3986	IMPLICIT NONE
3987
3988	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3989	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3990	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3991	REAL(wp) :: v_im !< deposition velocity due to impaction
3992	REAL(wp) :: v_in !< deposition velocity due to interception
3993	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3994
3995	REAL(wp), INTENT(in) :: beta_im !< parameter for turbulent impaction
3996	REAL(wp), INTENT(in) :: c_brownian_diff !< coefficient for Brownian diffusion
3997	REAL(wp), INTENT(in) :: c_impaction !< coefficient for inertial impaction
3998	REAL(wp), INTENT(in) :: c_interception !< coefficient for interception
3999	REAL(wp), INTENT(in) :: c_turb_impaction !< coefficient for turbulent impaction
4000	REAL(wp), INTENT(in) :: kvis_a !< kinematic viscosity of air (m2/s)
4001	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
4002	REAL(wp), INTENT(in) :: par_l !< obstacle characteristic dimension in P10
4003	REAL(wp), INTENT(in) :: diameter !< particle diameter
4004	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
4005	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
4006	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
4007
4008	REAL(wp), INTENT(inout) :: depo !< deposition efficiency (m/s)
4009
4010	IF ( par_l > 0.0_wp ) THEN
4011	!
4012	!-- Initialise
4013	tau_plus = 0.0_wp
4014	v_bd = 0.0_wp
4015	v_im = 0.0_wp
4016	v_in = 0.0_wp
4017	v_it = 0.0_wp
4018	!
4019	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
4020	stokes_num = vc * ustar / ( g * par_l )
4021	!
4022	!-- Non-dimensional relexation time of the particle on top of canopy
4023	tau_plus = vc * ustar*2 / ( kvis_a g )
4024	!
4025	!-- Brownian diffusion
4026	v_bd = mag_u * c_brownian_diff * schmidt_num*( -0.66666666_wp ) &
4027	( mag_u * par_l / kvis_a )**( -0.5_wp )
4028	!
4029	!-- Interception
4030	v_in = mag_u * c_interception * diameter / par_l * &
4031	( 2.0_wp + LOG( 2.0_wp * par_l / diameter ) )
4032	!
4033	!-- Impaction: Petroff (2009) Eq. 18
4034	v_im = mag_u * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
4035	!
4036	!-- Turbulent impaction
4037	IF ( tau_plus < 20.0_wp ) THEN
4038	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
4039	ELSE
4040	v_it = c_turb_impaction
4041	ENDIF
4042
4043	depo = ( v_bd + v_in + v_im + v_it + vc )
4044
4045	ELSE
4046	depo = 0.0_wp
4047	ENDIF
4048
4049	END SUBROUTINE depo_vel_P10
4050
4051	!------------------------------------------------------------------------------!
4052	! Description:
4053	! ------------
4054	!> Calculate the dry deposition on horizontal and vertical surfaces. Implement
4055	!> as a surface flux.
4056	!> @todo aerodynamic resistance ignored for now (not important for
4057	! high-resolution simulations)
4058	!------------------------------------------------------------------------------!
4059	SUBROUTINE depo_surf( i, j, surf, vc, schmidt_num, kvis, mag_u, norm, match_array )
4060
4061	USE arrays_3d, &
4062	ONLY: rho_air_zw
4063
4064	USE surface_mod, &
4065	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
4066
4067	IMPLICIT NONE
4068
4069	INTEGER(iwp) :: ib !< loop index
4070	INTEGER(iwp) :: ic !< loop index
4071	INTEGER(iwp) :: icc !< additional loop index
4072	INTEGER(iwp) :: k !< loop index
4073	INTEGER(iwp) :: m !< loop index
4074	INTEGER(iwp) :: surf_e !< End index of surface elements at (j,i)-gridpoint
4075	INTEGER(iwp) :: surf_s !< Start index of surface elements at (j,i)-gridpoint
4076
4077	INTEGER(iwp), INTENT(in) :: i !< loop index
4078	INTEGER(iwp), INTENT(in) :: j !< loop index
4079
4080	LOGICAL, INTENT(in) :: norm !< to normalise or not
4081
4082	REAL(wp) :: alpha !< parameter, Table 3 in Z01
4083	REAL(wp) :: beta_im !< parameter for turbulent impaction
4084	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
4085	REAL(wp) :: c_impaction !< coefficient for inertial impaction
4086	REAL(wp) :: c_interception !< coefficient for interception
4087	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
4088	REAL(wp) :: gamma !< parameter, Table 3 in Z01
4089	REAL(wp) :: norm_fac !< normalisation factor (usually air density)
4090	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
4091	!< Table 3 in Z01
4092	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
4093	REAL(wp) :: rs !< the overall quasi-laminar resistance for particles
4094	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
4095	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
4096	REAL(wp) :: v_im !< deposition velocity due to impaction
4097	REAL(wp) :: v_in !< deposition velocity due to interception
4098	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
4099
4100	REAL(wp), DIMENSION(nbins_aerosol) :: depo !< deposition efficiency
4101	REAL(wp), DIMENSION(nbins_aerosol) :: depo_sum !< sum of deposition efficiencies
4102
4103	REAL(wp), DIMENSION(:), INTENT(in) :: kvis !< kinematic viscosity of air (m2/s)
4104	REAL(wp), DIMENSION(:), INTENT(in) :: mag_u !< wind velocity (m/s)
4105
4106	REAL(wp), DIMENSION(:,:), INTENT(in) :: schmidt_num !< particle Schmidt number
4107	REAL(wp), DIMENSION(:,:), INTENT(in) :: vc !< terminal velocity (m/s)
4108
4109	TYPE(match_surface), INTENT(in), OPTIONAL :: match_array !< match the deposition module and
4110	!< LSM/USM surfaces
4111	TYPE(surf_type), INTENT(inout) :: surf !< respective surface type
4112	!
4113	!-- Initialise
4114	depo = 0.0_wp
4115	depo_sum = 0.0_wp
4116	rs = 0.0_wp
4117	surf_s = surf%start_index(j,i)
4118	surf_e = surf%end_index(j,i)
4119	tau_plus = 0.0_wp
4120	v_bd = 0.0_wp
4121	v_im = 0.0_wp
4122	v_in = 0.0_wp
4123	v_it = 0.0_wp
4124	!
4125	!-- Model parameters for the land use category. If LSM or USM is applied, import
4126	!-- characteristics. Otherwise, apply surface type "urban".
4127	alpha = alpha_z01(luc_urban)
4128	gamma = gamma_z01(luc_urban)
4129	par_a = A_z01(luc_urban, season_z01) * 1.0E-3_wp
4130
4131	par_l = l_p10(luc_urban) * 0.01_wp
4132	c_brownian_diff = c_b_p10(luc_urban)
4133	c_interception = c_in_p10(luc_urban)
4134	c_impaction = c_im_p10(luc_urban)
4135	beta_im = beta_im_p10(luc_urban)
4136	c_turb_impaction = c_it_p10(luc_urban)
4137
4138
4139	IF ( PRESENT( match_array ) ) THEN ! land or urban surface model
4140
4141	DO m = surf_s, surf_e
4142
4143	k = surf%k(m)
4144	norm_fac = 1.0_wp
4145
4146	IF ( norm ) norm_fac = rho_air_zw(k) ! normalise vertical fluxes by air density
4147
4148	IF ( match_array%match_lupg(m) > 0 ) THEN
4149	alpha = alpha_z01( match_array%match_lupg(m) )
4150	gamma = gamma_z01( match_array%match_lupg(m) )
4151	par_a = A_z01( match_array%match_lupg(m), season_z01 ) * 1.0E-3_wp
4152
4153	beta_im = beta_im_p10( match_array%match_lupg(m) )
4154	c_brownian_diff = c_b_p10( match_array%match_lupg(m) )
4155	c_impaction = c_im_p10( match_array%match_lupg(m) )
4156	c_interception = c_in_p10( match_array%match_lupg(m) )
4157	c_turb_impaction = c_it_p10( match_array%match_lupg(m) )
4158	par_l = l_p10( match_array%match_lupg(m) ) * 0.01_wp
4159
4160	DO ib = 1, nbins_aerosol
4161	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4162	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4163
4164	SELECT CASE ( depo_surf_par_num )
4165
4166	CASE ( 1 )
4167	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4168	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4169	CASE ( 2 )
4170	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4171	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4172	c_brownian_diff, c_interception, c_impaction, beta_im, &
4173	c_turb_impaction, depo(ib) )
4174	END SELECT
4175	ENDDO
4176	depo_sum = depo_sum + surf%frac(ind_pav_green,m) * depo
4177	ENDIF
4178
4179	IF ( match_array%match_luvw(m) > 0 ) THEN
4180	alpha = alpha_z01( match_array%match_luvw(m) )
4181	gamma = gamma_z01( match_array%match_luvw(m) )
4182	par_a = A_z01( match_array%match_luvw(m), season_z01 ) * 1.0E-3_wp
4183
4184	beta_im = beta_im_p10( match_array%match_luvw(m) )
4185	c_brownian_diff = c_b_p10( match_array%match_luvw(m) )
4186	c_impaction = c_im_p10( match_array%match_luvw(m) )
4187	c_interception = c_in_p10( match_array%match_luvw(m) )
4188	c_turb_impaction = c_it_p10( match_array%match_luvw(m) )
4189	par_l = l_p10( match_array%match_luvw(m) ) * 0.01_wp
4190
4191	DO ib = 1, nbins_aerosol
4192	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4193	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4194
4195	SELECT CASE ( depo_surf_par_num )
4196
4197	CASE ( 1 )
4198	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4199	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4200	CASE ( 2 )
4201	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4202	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4203	c_brownian_diff, c_interception, c_impaction, beta_im, &
4204	c_turb_impaction, depo(ib) )
4205	END SELECT
4206	ENDDO
4207	depo_sum = depo_sum + surf%frac(ind_veg_wall,m) * depo
4208	ENDIF
4209
4210	IF ( match_array%match_luww(m) > 0 ) THEN
4211	alpha = alpha_z01( match_array%match_luww(m) )
4212	gamma = gamma_z01( match_array%match_luww(m) )
4213	par_a = A_z01( match_array%match_luww(m), season_z01 ) * 1.0E-3_wp
4214
4215	beta_im = beta_im_p10( match_array%match_luww(m) )
4216	c_brownian_diff = c_b_p10( match_array%match_luww(m) )
4217	c_impaction = c_im_p10( match_array%match_luww(m) )
4218	c_interception = c_in_p10( match_array%match_luww(m) )
4219	c_turb_impaction = c_it_p10( match_array%match_luww(m) )
4220	par_l = l_p10( match_array%match_luww(m) ) * 0.01_wp
4221
4222	DO ib = 1, nbins_aerosol
4223	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4224	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4225
4226	SELECT CASE ( depo_surf_par_num )
4227
4228	CASE ( 1 )
4229	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4230	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4231	CASE ( 2 )
4232	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4233	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4234	c_brownian_diff, c_interception, c_impaction, beta_im, &
4235	c_turb_impaction, depo(ib) )
4236	END SELECT
4237	ENDDO
4238	depo_sum = depo_sum + surf%frac(ind_wat_win,m) * depo
4239	ENDIF
4240
4241	DO ib = 1, nbins_aerosol
4242	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) ) CYCLE
4243	!
4244	!-- Calculate changes in surface fluxes due to dry deposition
4245	IF ( include_emission ) THEN
4246	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - MAX( 0.0_wp, &
4247	depo_sum(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i) )
4248	DO ic = 1, ncomponents_mass
4249	icc = ( ic - 1 ) * nbins_aerosol + ib
4250	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - MAX( 0.0_wp, &
4251	depo_sum(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
4252	ENDDO ! ic
4253	ELSE
4254	surf%answs(m,ib) = -depo_sum(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i)
4255	DO ic = 1, ncomponents_mass
4256	icc = ( ic - 1 ) * nbins_aerosol + ib
4257	surf%amsws(m,icc) = -depo_sum(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i)
4258	ENDDO ! ic
4259	ENDIF
4260	ENDDO ! ib
4261
4262	ENDDO
4263
4264	ELSE ! default surfaces
4265
4266	DO m = surf_s, surf_e
4267
4268	k = surf%k(m)
4269	norm_fac = 1.0_wp
4270
4271	IF ( norm ) norm_fac = rho_air_zw(k) ! normalise vertical fluxes by air density
4272
4273	DO ib = 1, nbins_aerosol
4274	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4275	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4276
4277	SELECT CASE ( depo_surf_par_num )
4278
4279	CASE ( 1 )
4280	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4281	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4282	CASE ( 2 )
4283	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4284	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4285	c_brownian_diff, c_interception, c_impaction, beta_im, &
4286	c_turb_impaction, depo(ib) )
4287	END SELECT
4288	!
4289	!-- Calculate changes in surface fluxes due to dry deposition
4290	IF ( include_emission ) THEN
4291	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - MAX( 0.0_wp, &
4292	depo(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i) )
4293	DO ic = 1, ncomponents_mass
4294	icc = ( ic - 1 ) * nbins_aerosol + ib
4295	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - MAX( 0.0_wp, &
4296	depo(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
4297	ENDDO ! ic
4298	ELSE
4299	surf%answs(m,ib) = -depo(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i)
4300	DO ic = 1, ncomponents_mass
4301	icc = ( ic - 1 ) * nbins_aerosol + ib
4302	surf%amsws(m,icc) = -depo(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i)
4303	ENDDO ! ic
4304	ENDIF
4305	ENDDO ! ib
4306	ENDDO
4307
4308	ENDIF
4309
4310	END SUBROUTINE depo_surf
4311
4312	!------------------------------------------------------------------------------!
4313	! Description:
4314	! ------------
4315	!> Calculates particle loss and change in size distribution due to (Brownian)
4316	!> coagulation. Only for particles with dwet < 30 micrometres.
4317	!
4318	!> Method:
4319	!> Semi-implicit, non-iterative method: (Jacobson, 1994)
4320	!> Volume concentrations of the smaller colliding particles added to the bin of
4321	!> the larger colliding particles. Start from first bin and use the updated
4322	!> number and volume for calculation of following bins. NB! Our bin numbering
4323	!> does not follow particle size in subrange 2.
4324	!
4325	!> Schematic for bin numbers in different subranges:
4326	!> 1 2
4327	!> +-------------------------------------------+
4328	!> a \| 1 \| 2 \| 3 \|\| 4 \| 5 \| 6 \| 7 \| 8 \| 9 \| 10\|\|
4329	!> b \| \|\|11 \|12 \|13 \|14 \| 15 \| 16 \| 17\|\|
4330	!> +-------------------------------------------+
4331	!
4332	!> Exact coagulation coefficients for each pressure level are scaled according
4333	!> to current particle wet size (linear scaling).
4334	!> Bins are organized in terms of the dry size of the condensation nucleus,
4335	!> while coagulation kernell is calculated with the actual hydrometeor
4336	!> size.
4337	!
4338	!> Called from salsa_driver
4339	!> fxm: Process selection should be made smarter - now just lots of IFs inside
4340	!> loops
4341	!
4342	!> Coded by:
4343	!> Hannele Korhonen (FMI) 2005
4344	!> Harri Kokkola (FMI) 2006
4345	!> Tommi Bergman (FMI) 2012
4346	!> Matti Niskanen(FMI) 2012
4347	!> Anton Laakso (FMI) 2013
4348	!> Juha Tonttila (FMI) 2014
4349	!------------------------------------------------------------------------------!
4350	SUBROUTINE coagulation( paero, ptstep, ptemp, ppres )
4351
4352	IMPLICIT NONE
4353
4354	INTEGER(iwp) :: index_2a !< corresponding bin in subrange 2a
4355	INTEGER(iwp) :: index_2b !< corresponding bin in subrange 2b
4356	INTEGER(iwp) :: ib !< loop index
4357	INTEGER(iwp) :: ll !< loop index
4358	INTEGER(iwp) :: mm !< loop index
4359	INTEGER(iwp) :: nn !< loop index
4360
4361	REAL(wp) :: pressi !< pressure
4362	REAL(wp) :: temppi !< temperature
4363	REAL(wp) :: zdpart_mm !< diameter of particle (m)
4364	REAL(wp) :: zdpart_nn !< diameter of particle (m)
4365	REAL(wp) :: zminusterm !< coagulation loss in a bin (1/s)
4366
4367	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4368	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4369	REAL(wp), INTENT(in) :: ptstep !< time step (s)
4370
4371	REAL(wp), DIMENSION(nbins_aerosol) :: zmpart !< approximate mass of particles (kg)
4372	REAL(wp), DIMENSION(maxspec+1) :: zplusterm !< coagulation gain in a bin (for each
4373	!< chemical compound)
4374	REAL(wp), DIMENSION(nbins_aerosol,nbins_aerosol) :: zcc !< updated coagulation coeff. (m3/s)
4375
4376	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4377
4378	zdpart_mm = 0.0_wp
4379	zdpart_nn = 0.0_wp
4380	!
4381	!-- 1) Coagulation to coarse mode calculated in a simplified way:
4382	!-- CoagSink ~ Dp in continuum subrange --> 'effective' number conc. of coarse particles
4383
4384	!-- 2) Updating coagulation coefficients
4385	!
4386	!-- Aerosol mass (kg). Density of 1500 kg/m3 assumed
4387	zmpart(1:end_subrange_2b) = api6 * ( MIN( paero(1:end_subrange_2b)%dwet, 30.0E-6_wp )**3 ) &
4388	* 1500.0_wp
4389	temppi = ptemp
4390	pressi = ppres
4391	zcc = 0.0_wp
4392	!
4393	!-- Aero-aero coagulation
4394	DO mm = 1, end_subrange_2b ! smaller colliding particle
4395	IF ( paero(mm)%numc < ( 2.0_wp * nclim ) ) CYCLE
4396	DO nn = mm, end_subrange_2b ! larger colliding particle
4397	IF ( paero(nn)%numc < ( 2.0_wp * nclim ) ) CYCLE
4398
4399	zdpart_mm = MIN( paero(mm)%dwet, 30.0E-6_wp ) ! Limit to 30 um
4400	zdpart_nn = MIN( paero(nn)%dwet, 30.0E-6_wp ) ! Limit to 30 um
4401	!
4402	!-- Coagulation coefficient of particles (m3/s)
4403	zcc(mm,nn) = coagc( zdpart_mm, zdpart_nn, zmpart(mm), zmpart(nn), temppi, pressi )
4404	zcc(nn,mm) = zcc(mm,nn)
4405	ENDDO
4406	ENDDO
4407
4408	!
4409	!-- 3) New particle and volume concentrations after coagulation:
4410	!-- Calculated according to Jacobson (2005) eq. 15.9
4411	!
4412	!-- Aerosols in subrange 1a:
4413	DO ib = start_subrange_1a, end_subrange_1a
4414	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4415	zminusterm = 0.0_wp
4416	zplusterm(:) = 0.0_wp
4417	!
4418	!-- Particles lost by coagulation with larger aerosols
4419	DO ll = ib+1, end_subrange_2b
4420	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4421	ENDDO
4422	!
4423	!-- Coagulation gain in a bin: change in volume conc. (cm3/cm3):
4424	DO ll = start_subrange_1a, ib - 1
4425	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
4426	zplusterm(6:7) = zplusterm(6:7) + zcc(ll,ib) * paero(ll)%volc(6:7)
4427	zplusterm(8) = zplusterm(8) + zcc(ll,ib) * paero(ll)%volc(8)
4428	ENDDO
4429	!
4430	!-- Volume and number concentrations after coagulation update [fxm]
4431	paero(ib)%volc(1:2) = ( paero(ib)%volc(1:2) + ptstep * zplusterm(1:2) * paero(ib)%numc ) / &
4432	( 1.0_wp + ptstep * zminusterm )
4433	paero(ib)%volc(6:8) = ( paero(ib)%volc(6:8) + ptstep * zplusterm(6:8) * paero(ib)%numc ) / &
4434	( 1.0_wp + ptstep * zminusterm )
4435	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4436	zcc(ib,ib) * paero(ib)%numc )
4437	ENDDO
4438	!
4439	!-- Aerosols in subrange 2a:
4440	DO ib = start_subrange_2a, end_subrange_2a
4441	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4442	zminusterm = 0.0_wp
4443	zplusterm(:) = 0.0_wp
4444	!
4445	!-- Find corresponding size bin in subrange 2b
4446	index_2b = ib - start_subrange_2a + start_subrange_2b
4447	!
4448	!-- Particles lost by larger particles in 2a
4449	DO ll = ib+1, end_subrange_2a
4450	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4451	ENDDO
4452	!
4453	!-- Particles lost by larger particles in 2b
4454	IF ( .NOT. no_insoluble ) THEN
4455	DO ll = index_2b+1, end_subrange_2b
4456	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4457	ENDDO
4458	ENDIF
4459	!
4460	!-- Particle volume gained from smaller particles in subranges 1, 2a and 2b
4461	DO ll = start_subrange_1a, ib-1
4462	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
4463	zplusterm(6:8) = zplusterm(6:8) + zcc(ll,ib) * paero(ll)%volc(6:8)
4464	ENDDO
4465	!
4466	!-- Particle volume gained from smaller particles in 2a
4467	!-- (Note, for components not included in the previous loop!)
4468	DO ll = start_subrange_2a, ib-1
4469	zplusterm(3:5) = zplusterm(3:5) + zcc(ll,ib)*paero(ll)%volc(3:5)
4470	ENDDO
4471	!
4472	!-- Particle volume gained from smaller (and equal) particles in 2b
4473	IF ( .NOT. no_insoluble ) THEN
4474	DO ll = start_subrange_2b, index_2b
4475	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4476	ENDDO
4477	ENDIF
4478	!
4479	!-- Volume and number concentrations after coagulation update [fxm]
4480	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) / &
4481	( 1.0_wp + ptstep * zminusterm )
4482	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4483	zcc(ib,ib) * paero(ib)%numc )
4484	ENDDO
4485	!
4486	!-- Aerosols in subrange 2b:
4487	IF ( .NOT. no_insoluble ) THEN
4488	DO ib = start_subrange_2b, end_subrange_2b
4489	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4490	zminusterm = 0.0_wp
4491	zplusterm(:) = 0.0_wp
4492	!
4493	!-- Find corresponding size bin in subsubrange 2a
4494	index_2a = ib - start_subrange_2b + start_subrange_2a
4495	!
4496	!-- Particles lost to larger particles in subranges 2b
4497	DO ll = ib + 1, end_subrange_2b
4498	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4499	ENDDO
4500	!
4501	!-- Particles lost to larger and equal particles in 2a
4502	DO ll = index_2a, end_subrange_2a
4503	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4504	ENDDO
4505	!
4506	!-- Particle volume gained from smaller particles in subranges 1 & 2a
4507	DO ll = start_subrange_1a, index_2a - 1
4508	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4509	ENDDO
4510	!
4511	!-- Particle volume gained from smaller particles in 2b
4512	DO ll = start_subrange_2b, ib - 1
4513	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4514	ENDDO
4515	!
4516	!-- Volume and number concentrations after coagulation update [fxm]
4517	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) &
4518	/ ( 1.0_wp + ptstep * zminusterm )
4519	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4520	zcc(ib,ib) * paero(ib)%numc )
4521	ENDDO
4522	ENDIF
4523
4524	END SUBROUTINE coagulation
4525
4526	!------------------------------------------------------------------------------!
4527	! Description:
4528	! ------------
4529	!> Calculation of coagulation coefficients. Extended version of the function
4530	!> originally found in mo_salsa_init.
4531	!
4532	!> J. Tonttila, FMI, 05/2014
4533	!------------------------------------------------------------------------------!
4534	REAL(wp) FUNCTION coagc( diam1, diam2, mass1, mass2, temp, pres )
4535
4536	IMPLICIT NONE
4537
4538	REAL(wp) :: fmdist !< distance of flux matching (m)
4539	REAL(wp) :: knud_p !< particle Knudsen number
4540	REAL(wp) :: mdiam !< mean diameter of colliding particles (m)
4541	REAL(wp) :: mfp !< mean free path of air molecules (m)
4542	REAL(wp) :: visc !< viscosity of air (kg/(m s))
4543
4544	REAL(wp), INTENT(in) :: diam1 !< diameter of colliding particle 1 (m)
4545	REAL(wp), INTENT(in) :: diam2 !< diameter of colliding particle 2 (m)
4546	REAL(wp), INTENT(in) :: mass1 !< mass of colliding particle 1 (kg)
4547	REAL(wp), INTENT(in) :: mass2 !< mass of colliding particle 2 (kg)
4548	REAL(wp), INTENT(in) :: pres !< ambient pressure (Pa?) [fxm]
4549	REAL(wp), INTENT(in) :: temp !< ambient temperature (K)
4550
4551	REAL(wp), DIMENSION (2) :: beta !< Cunningham correction factor
4552	REAL(wp), DIMENSION (2) :: dfpart !< particle diffusion coefficient (m2/s)
4553	REAL(wp), DIMENSION (2) :: diam !< diameters of particles (m)
4554	REAL(wp), DIMENSION (2) :: flux !< flux in continuum and free molec. regime (m/s)
4555	REAL(wp), DIMENSION (2) :: knud !< particle Knudsen number
4556	REAL(wp), DIMENSION (2) :: mpart !< masses of particles (kg)
4557	REAL(wp), DIMENSION (2) :: mtvel !< particle mean thermal velocity (m/s)
4558	REAL(wp), DIMENSION (2) :: omega !< particle mean free path
4559	REAL(wp), DIMENSION (2) :: tva !< temporary variable (m)
4560	!
4561	!-- Initialisation
4562	coagc = 0.0_wp
4563	!
4564	!-- 1) Initializing particle and ambient air variables
4565	diam = (/ diam1, diam2 /) !< particle diameters (m)
4566	mpart = (/ mass1, mass2 /) !< particle masses (kg)
4567	!
4568	!-- Viscosity of air (kg/(m s))
4569	visc = ( 7.44523E-3_wp * temp ** 1.5_wp ) / ( 5093.0_wp * ( temp + 110.4_wp ) )
4570	!
4571	!-- Mean free path of air (m)
4572	mfp = ( 1.656E-10_wp * temp + 1.828E-8_wp ) * ( p_0 + 1325.0_wp ) / pres
4573	!
4574	!-- 2) Slip correction factor for small particles
4575	knud = 2.0_wp * EXP( LOG(mfp) - LOG(diam) )! Knudsen number for air (15.23)
4576	!
4577	!-- Cunningham correction factor (Allen and Raabe, Aerosol Sci. Tech. 4, 269)
4578	beta = 1.0_wp + knud * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / knud ) )
4579	!
4580	!-- 3) Particle properties
4581	!-- Diffusion coefficient (m2/s) (Jacobson (2005) eq. 15.29)
4582	dfpart = beta * abo * temp / ( 3.0_wp * pi * visc * diam )
4583	!
4584	!-- Mean thermal velocity (m/s) (Jacobson (2005) eq. 15.32)
4585	mtvel = SQRT( ( 8.0_wp * abo * temp ) / ( pi * mpart ) )
4586	!
4587	!-- Particle mean free path (m) (Jacobson (2005) eq. 15.34 )
4588	omega = 8.0_wp * dfpart / ( pi * mtvel )
4589	!
4590	!-- Mean diameter (m)
4591	mdiam = 0.5_wp * ( diam(1) + diam(2) )
4592	!
4593	!-- 4) Calculation of fluxes (Brownian collision kernels) and flux matching
4594	!-- following Jacobson (2005):
4595	!
4596	!-- Flux in continuum regime (m3/s) (eq. 15.28)
4597	flux(1) = 4.0_wp * pi * mdiam * ( dfpart(1) + dfpart(2) )
4598	!
4599	!-- Flux in free molec. regime (m3/s) (eq. 15.31)
4600	flux(2) = pi * SQRT( ( mtvel(1)2 ) + ( mtvel(2)2 ) ) * ( mdiam**2 )
4601	!
4602	!-- temporary variables (m) to calculate flux matching distance (m)
4603	tva(1) = ( ( mdiam + omega(1) )3 - ( mdiam2 + omega(1)*2 ) SQRT( ( mdiam**2 + &
4604	omega(1)*2 ) ) ) / ( 3.0_wp mdiam * omega(1) ) - mdiam
4605	tva(2) = ( ( mdiam + omega(2) )3 - ( mdiam2 + omega(2)*2 ) SQRT( ( mdiam**2 + &
4606	omega(2)*2 ) ) ) / ( 3.0_wp mdiam * omega(2) ) - mdiam
4607	!
4608	!-- Flux matching distance (m): the mean distance from the centre of a sphere reached by particles
4609	!-- that leave sphere's surface and travel a distance of particle mean free path (eq. 15.34)
4610	fmdist = SQRT( tva(1)2 + tva(2)2 )
4611	!
4612	!-- 5) Coagulation coefficient = coalescence efficiency * collision kernel (m3/s) (eq. 15.33).
4613	!-- Here assumed coalescence efficiency 1!!
4614	coagc = flux(1) / ( mdiam / ( mdiam + fmdist) + flux(1) / flux(2) )
4615	!
4616	!-- Corrected collision kernel (Karl et al., 2016 (ACP)): Include van der Waals and viscous forces
4617	IF ( van_der_waals_coagc ) THEN
4618	knud_p = SQRT( omega(1)2 + omega(2)2 ) / mdiam
4619	IF ( knud_p >= 0.1_wp .AND. knud_p <= 10.0_wp ) THEN
4620	coagc = coagc * ( 2.0_wp + 0.4_wp * LOG( knud_p ) )
4621	ELSE
4622	coagc = coagc * 3.0_wp
4623	ENDIF
4624	ENDIF
4625
4626	END FUNCTION coagc
4627
4628	!------------------------------------------------------------------------------!
4629	! Description:
4630	! ------------
4631	!> Calculates the change in particle volume and gas phase
4632	!> concentrations due to nucleation, condensation and dissolutional growth.
4633	!
4634	!> Sulphuric acid and organic vapour: only condensation and no evaporation.
4635	!
4636	!> New gas and aerosol phase concentrations calculated according to Jacobson
4637	!> (1997): Numerical techniques to solve condensational and dissolutional growth
4638	!> equations when growth is coupled to reversible reactions, Aerosol Sci. Tech.,
4639	!> 27, pp 491-498.
4640	!
4641	!> Following parameterization has been used:
4642	!> Molecular diffusion coefficient of condensing vapour (m2/s)
4643	!> (Reid et al. (1987): Properties of gases and liquids, McGraw-Hill, New York.)
4644	!> D = {1.d-7sqrt(1/M_air + 1/M_gas)T^1.75} / &
4645	! {p_atm/p_stand * (d_air^(1/3) + d_gas^(1/3))^2 }
4646	!> M_air = 28.965 : molar mass of air (g/mol)
4647	!> d_air = 19.70 : diffusion volume of air
4648	!> M_h2so4 = 98.08 : molar mass of h2so4 (g/mol)
4649	!> d_h2so4 = 51.96 : diffusion volume of h2so4
4650	!
4651	!> Called from main aerosol model
4652	!> For equations, see Jacobson, Fundamentals of Atmospheric Modeling, 2nd Edition (2005)
4653	!
4654	!> Coded by:
4655	!> Hannele Korhonen (FMI) 2005
4656	!> Harri Kokkola (FMI) 2006
4657	!> Juha Tonttila (FMI) 2014
4658	!> Rewritten to PALM by Mona Kurppa (UHel) 2017
4659	!------------------------------------------------------------------------------!
4660	SUBROUTINE condensation( paero, pc_sa, pc_ocnv, pcocsv, pchno3, pc_nh3, pcw, pcs, ptemp, ppres, &
4661	ptstep, prtcl )
4662
4663	IMPLICIT NONE
4664
4665	INTEGER(iwp) :: ss !< start index
4666	INTEGER(iwp) :: ee !< end index
4667
4668	REAL(wp) :: zcs_ocnv !< condensation sink of nonvolatile organics (1/s)
4669	REAL(wp) :: zcs_ocsv !< condensation sink of semivolatile organics (1/s)
4670	REAL(wp) :: zcs_su !< condensation sink of sulfate (1/s)
4671	REAL(wp) :: zcs_tot !< total condensation sink (1/s) (gases)
4672	REAL(wp) :: zcvap_new1 !< vapour concentration after time step (#/m3): sulphuric acid
4673	REAL(wp) :: zcvap_new2 !< nonvolatile organics
4674	REAL(wp) :: zcvap_new3 !< semivolatile organics
4675	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4676	REAL(wp) :: zdvap1 !< change in vapour concentration (#/m3): sulphuric acid
4677	REAL(wp) :: zdvap2 !< nonvolatile organics
4678	REAL(wp) :: zdvap3 !< semivolatile organics
4679	REAL(wp) :: zmfp !< mean free path of condensing vapour (m)
4680	REAL(wp) :: zrh !< Relative humidity [0-1]
4681	REAL(wp) :: zvisc !< viscosity of air (kg/(m s))
4682	REAL(wp) :: zn_vs_c !< ratio of nucleation of all mass transfer in the smallest bin
4683	REAL(wp) :: zxocnv !< ratio of organic vapour in 3nm particles
4684	REAL(wp) :: zxsa !< Ratio in 3nm particles: sulphuric acid
4685
4686	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4687	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
4688	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4689	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
4690
4691	REAL(wp), INTENT(inout) :: pchno3 !< Gas concentrations (#/m3): nitric acid HNO3
4692	REAL(wp), INTENT(inout) :: pc_nh3 !< ammonia NH3
4693	REAL(wp), INTENT(inout) :: pc_ocnv !< non-volatile organics
4694	REAL(wp), INTENT(inout) :: pcocsv !< semi-volatile organics
4695	REAL(wp), INTENT(inout) :: pc_sa !< sulphuric acid H2SO4
4696	REAL(wp), INTENT(inout) :: pcw !< Water vapor concentration (kg/m3)
4697
4698	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
4699	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate !< collision rate (1/s)
4700	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate_ocnv !< collision rate of OCNV (1/s)
4701	REAL(wp), DIMENSION(start_subrange_1a+1) :: zdfpart !< particle diffusion coef. (m2/s)
4702	REAL(wp), DIMENSION(nbins_aerosol) :: zdvoloc !< change of organics volume
4703	REAL(wp), DIMENSION(nbins_aerosol) :: zdvolsa !< change of sulphate volume
4704	REAL(wp), DIMENSION(2) :: zj3n3 !< Formation massrate of molecules
4705	!< in nucleation, (molec/m3s),
4706	!< 1: H2SO4 and 2: organic vapor
4707	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
4708
4709	TYPE(component_index), INTENT(in) :: prtcl !< Keeps track which substances are used
4710
4711	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4712
4713	zj3n3 = 0.0_wp
4714	zrh = pcw / pcs
4715	zxocnv = 0.0_wp
4716	zxsa = 0.0_wp
4717	!
4718	!-- Nucleation
4719	IF ( nsnucl > 0 ) THEN
4720	CALL nucleation( paero, ptemp, zrh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, zj3n3, zxsa, &
4721	zxocnv )
4722	ENDIF
4723	!
4724	!-- Condensation on pre-existing particles
4725	IF ( lscndgas ) THEN
4726	!
4727	!-- Initialise:
4728	zdvolsa = 0.0_wp
4729	zdvoloc = 0.0_wp
4730	zcolrate = 0.0_wp
4731	!
4732	!-- 1) Properties of air and condensing gases:
4733	!-- Viscosity of air (kg/(m s)) (Eq. 4.54 in Jabonson (2005))
4734	zvisc = ( 7.44523E-3_wp * ptemp ** 1.5_wp ) / ( 5093.0_wp * ( ptemp + 110.4_wp ) )
4735	!
4736	!-- Diffusion coefficient of air (m2/s)
4737	zdfvap = 5.1111E-10_wp * ptemp ** 1.75_wp * ( p_0 + 1325.0_wp ) / ppres
4738	!
4739	!-- Mean free path (m): same for H2SO4 and organic compounds
4740	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
4741	!
4742	!-- 2) Transition regime correction factor zbeta for particles (Fuchs and Sutugin (1971)):
4743	!-- Size of condensing molecule considered only for nucleation mode (3 - 20 nm).
4744	!
4745	!-- Particle Knudsen number: condensation of gases on aerosols
4746	ss = start_subrange_1a
4747	ee = start_subrange_1a+1
4748	zknud(ss:ee) = 2.0_wp * zmfp / ( paero(ss:ee)%dwet + d_sa )
4749	ss = start_subrange_1a+2
4750	ee = end_subrange_2b
4751	zknud(ss:ee) = 2.0_wp * zmfp / paero(ss:ee)%dwet
4752	!
4753	!-- Transitional correction factor: aerosol + gas (the semi-empirical Fuchs- Sutugin
4754	!-- interpolation function (Fuchs and Sutugin, 1971))
4755	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
4756	( zknud + zknud ** 2 ) )
4757	!
4758	!-- 3) Collision rate of molecules to particles
4759	!-- Particle diffusion coefficient considered only for nucleation mode (3 - 20 nm)
4760	!
4761	!-- Particle diffusion coefficient (m2/s) (e.g. Eq. 15.29 in Jacobson (2005))
4762	zdfpart = abo * ptemp * zbeta(start_subrange_1a:start_subrange_1a+1) / ( 3.0_wp * pi * zvisc&
4763	* paero(start_subrange_1a:start_subrange_1a+1)%dwet)
4764	!
4765	!-- Collision rate (mass-transfer coefficient): gases on aerosols (1/s) (Eq. 16.64 in
4766	!-- Jacobson (2005))
4767	ss = start_subrange_1a
4768	ee = start_subrange_1a+1
4769	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * ( paero(ss:ee)%dwet + d_sa ) * ( zdfvap + zdfpart ) *&
4770	zbeta(ss:ee) * paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4771	ss = start_subrange_1a+2
4772	ee = end_subrange_2b
4773	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * paero(ss:ee)%dwet * zdfvap * zbeta(ss:ee) * &
4774	paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4775	!
4776	!-- 4) Condensation sink (1/s)
4777	zcs_tot = SUM( zcolrate ) ! total sink
4778	!
4779	!-- 5) Changes in gas-phase concentrations and particle volume
4780	!
4781	!-- 5.1) Organic vapours
4782	!
4783	!-- 5.1.1) Non-volatile organic compound: condenses onto all bins
4784	IF ( pc_ocnv > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_oc > 0 ) &
4785	THEN
4786	!-- Ratio of nucleation vs. condensation rates in the smallest bin
4787	zn_vs_c = 0.0_wp
4788	IF ( zj3n3(2) > 1.0_wp ) THEN
4789	zn_vs_c = ( zj3n3(2) ) / ( zj3n3(2) + pc_ocnv * zcolrate(start_subrange_1a) )
4790	ENDIF
4791	!
4792	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4793	!-- Jacobson (2005), eq. (16.73) )
4794	zcolrate_ocnv = zcolrate
4795	zcolrate_ocnv(start_subrange_1a) = zcolrate_ocnv(start_subrange_1a) + zj3n3(2) / pc_ocnv
4796	!
4797	!-- Total sink for organic vapor
4798	zcs_ocnv = zcs_tot + zj3n3(2) / pc_ocnv
4799	!
4800	!-- New gas phase concentration (#/m3)
4801	zcvap_new2 = pc_ocnv / ( 1.0_wp + ptstep * zcs_ocnv )
4802	!
4803	!-- Change in gas concentration (#/m3)
4804	zdvap2 = pc_ocnv - zcvap_new2
4805	!
4806	!-- Updated vapour concentration (#/m3)
4807	pc_ocnv = zcvap_new2
4808	!
4809	!-- Volume change of particles (m3(OC)/m3(air))
4810	zdvoloc = zcolrate_ocnv(start_subrange_1a:end_subrange_2b) / zcs_ocnv * amvoc * zdvap2
4811	!
4812	!-- Change of volume due to condensation in 1a-2b
4813	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4814	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4815	!
4816	!-- Change of number concentration in the smallest bin caused by nucleation (Jacobson (2005),
4817	!-- eq. (16.75)). If zxocnv = 0, then the chosen nucleation mechanism doesn't take into
4818	!-- account the non-volatile organic vapors and thus the paero doesn't have to be updated.
4819	IF ( zxocnv > 0.0_wp ) THEN
4820	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4821	zdvoloc(start_subrange_1a) / amvoc / ( n3 * zxocnv )
4822	ENDIF
4823	ENDIF
4824	!
4825	!-- 5.1.2) Semivolatile organic compound: all bins except subrange 1
4826	zcs_ocsv = SUM( zcolrate(start_subrange_2a:end_subrange_2b) ) !< sink for semi-volatile org.
4827	IF ( pcocsv > 1.0E+10_wp .AND. zcs_ocsv > 1.0E-30 .AND. is_used( prtcl,'OC') ) THEN
4828	!
4829	!-- New gas phase concentration (#/m3)
4830	zcvap_new3 = pcocsv / ( 1.0_wp + ptstep * zcs_ocsv )
4831	!
4832	!-- Change in gas concentration (#/m3)
4833	zdvap3 = pcocsv - zcvap_new3
4834	!
4835	!-- Updated gas concentration (#/m3)
4836	pcocsv = zcvap_new3
4837	!
4838	!-- Volume change of particles (m3(OC)/m3(air))
4839	ss = start_subrange_2a
4840	ee = end_subrange_2b
4841	zdvoloc(ss:ee) = zdvoloc(ss:ee) + zcolrate(ss:ee) / zcs_ocsv * amvoc * zdvap3
4842	!
4843	!-- Change of volume due to condensation in 1a-2b
4844	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4845	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4846	ENDIF
4847	!
4848	!-- 5.2) Sulphate: condensed on all bins
4849	IF ( pc_sa > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_so4 > 0 ) THEN
4850	!
4851	!-- Ratio of mass transfer between nucleation and condensation
4852	zn_vs_c = 0.0_wp
4853	IF ( zj3n3(1) > 1.0_wp ) THEN
4854	zn_vs_c = ( zj3n3(1) ) / ( zj3n3(1) + pc_sa * zcolrate(start_subrange_1a) )
4855	ENDIF
4856	!
4857	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4858	!-- Jacobson (2005), eq. (16.73))
4859	zcolrate(start_subrange_1a) = zcolrate(start_subrange_1a) + zj3n3(1) / pc_sa
4860	!
4861	!-- Total sink for sulfate (1/s)
4862	zcs_su = zcs_tot + zj3n3(1) / pc_sa
4863	!
4864	!-- Sulphuric acid:
4865	!-- New gas phase concentration (#/m3)
4866	zcvap_new1 = pc_sa / ( 1.0_wp + ptstep * zcs_su )
4867	!
4868	!-- Change in gas concentration (#/m3)
4869	zdvap1 = pc_sa - zcvap_new1
4870	!
4871	!-- Updating vapour concentration (#/m3)
4872	pc_sa = zcvap_new1
4873	!
4874	!-- Volume change of particles (m3(SO4)/m3(air)) by condensation
4875	zdvolsa = zcolrate(start_subrange_1a:end_subrange_2b) / zcs_su * amvh2so4 * zdvap1
4876	!
4877	!-- Change of volume concentration of sulphate in aerosol [fxm]
4878	paero(start_subrange_1a:end_subrange_2b)%volc(1) = &
4879	paero(start_subrange_1a:end_subrange_2b)%volc(1) + zdvolsa
4880	!
4881	!-- Change of number concentration in the smallest bin caused by nucleation
4882	!-- (Jacobson (2005), equation (16.75))
4883	IF ( zxsa > 0.0_wp ) THEN
4884	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4885	zdvolsa(start_subrange_1a) / amvh2so4 / ( n3 * zxsa)
4886	ENDIF
4887	ENDIF
4888	!
4889	!-- Partitioning of H2O, HNO3, and NH3: Dissolutional growth
4890	IF ( lspartition .AND. ( pchno3 > 1.0E+10_wp .OR. pc_nh3 > 1.0E+10_wp ) ) THEN
4891	CALL gpparthno3( ppres, ptemp, paero, pchno3, pc_nh3, pcw, pcs, zbeta, ptstep )
4892	ENDIF
4893	ENDIF
4894	!
4895	!-- Condensation of water vapour
4896	IF ( lscndh2oae ) THEN
4897	CALL gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
4898	ENDIF
4899
4900	END SUBROUTINE condensation
4901
4902	!------------------------------------------------------------------------------!
4903	! Description:
4904	! ------------
4905	!> Calculates the particle number and volume increase, and gas-phase
4906	!> concentration decrease due to nucleation subsequent growth to detectable size
4907	!> of 3 nm.
4908	!
4909	!> Method:
4910	!> When the formed clusters grow by condensation (possibly also by self-
4911	!> coagulation), their number is reduced due to scavenging to pre-existing
4912	!> particles. Thus, the apparent nucleation rate at 3 nm is significantly lower
4913	!> than the real nucleation rate (at ~1 nm).
4914	!
4915	!> Calculation of the formation rate of detectable particles at 3 nm (i.e. J3):
4916	!> nj3 = 1: Kerminen, V.-M. and Kulmala, M. (2002), J. Aerosol Sci.,33, 609-622.
4917	!> nj3 = 2: Lehtinen et al. (2007), J. Aerosol Sci., 38(9), 988-994.
4918	!> nj3 = 3: Anttila et al. (2010), J. Aerosol Sci., 41(7), 621-636.
4919	!
4920	!> c = aerosol of critical radius (1 nm)
4921	!> x = aerosol with radius 3 nm
4922	!> 2 = wet or mean droplet
4923	!
4924	!> Called from subroutine condensation (in module salsa_dynamics_mod.f90)
4925	!
4926	!> Calls one of the following subroutines:
4927	!> - binnucl
4928	!> - ternucl
4929	!> - kinnucl
4930	!> - actnucl
4931	!
4932	!> fxm: currently only sulphuric acid grows particles from 1 to 3 nm
4933	!> (if asked from Markku, this is terribly wrong!!!)
4934	!
4935	!> Coded by:
4936	!> Hannele Korhonen (FMI) 2005
4937	!> Harri Kokkola (FMI) 2006
4938	!> Matti Niskanen(FMI) 2012
4939	!> Anton Laakso (FMI) 2013
4940	!------------------------------------------------------------------------------!
4941
4942	SUBROUTINE nucleation( paero, ptemp, prh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, pj3n3, pxsa, &
4943	pxocnv )
4944
4945	IMPLICIT NONE
4946
4947	INTEGER(iwp) :: iteration
4948
4949	REAL(wp) :: zc_h2so4 !< H2SO4 conc. (#/cm3) !UNITS!
4950	REAL(wp) :: zc_org !< organic vapour conc. (#/cm3)
4951	REAL(wp) :: zcc_c !< Cunningham correct factor for c = critical (1nm)
4952	REAL(wp) :: zcc_x !< Cunningham correct factor for x = 3nm
4953	REAL(wp) :: zcoags_c !< coagulation sink (1/s) for c = critical (1nm)
4954	REAL(wp) :: zcoags_x !< coagulation sink (1/s) for x = 3nm
4955	REAL(wp) :: zcoagstot !< total particle losses due to coagulation, including condensation
4956	!< and self-coagulation
4957	REAL(wp) :: zcocnv_local !< organic vapour conc. (#/m3)
4958	REAL(wp) :: zcsink !< condensational sink (#/m2)
4959	REAL(wp) :: zcsa_local !< H2SO4 conc. (#/m3)
4960	REAL(wp) :: zcv_c !< mean relative thermal velocity (m/s) for c = critical (1nm)
4961	REAL(wp) :: zcv_x !< mean relative thermal velocity (m/s) for x = 3nm
4962	REAL(wp) :: zdcrit !< diameter of critical cluster (m)
4963	REAL(wp) :: zdelta_vap !< change of H2SO4 and organic vapour concentration (#/m3)
4964	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4965	REAL(wp) :: zdmean !< mean diameter of existing particles (m)
4966	REAL(wp) :: zeta !< constant: proportional to ratio of CS/GR (m)
4967	!< (condensation sink / growth rate)
4968	REAL(wp) :: zgamma !< proportionality factor ((nm2*m2)/h)
4969	REAL(wp) :: z_gr_clust !< growth rate of formed clusters (nm/h)
4970	REAL(wp) :: z_gr_tot !< total growth rate
4971	REAL(wp) :: zj3 !< number conc. of formed 3nm particles (#/m3)
4972	REAL(wp) :: zjnuc !< nucleation rate at ~1nm (#/m3s)
4973	REAL(wp) :: z_k_eff !< effective cogulation coefficient for freshly nucleated particles
4974	REAL(wp) :: zknud_c !< Knudsen number for c = critical (1nm)
4975	REAL(wp) :: zknud_x !< Knudsen number for x = 3nm
4976	REAL(wp) :: zkocnv !< lever: zkocnv=1 --> organic compounds involved in nucleation
4977	REAL(wp) :: zksa !< lever: zksa=1 --> H2SO4 involved in nucleation
4978	REAL(wp) :: zlambda !< parameter for adjusting the growth rate due to self-coagulation
4979	REAL(wp) :: zm_c !< particle mass (kg) for c = critical (1nm)
4980	REAL(wp) :: zm_para !< Parameter m for calculating the coagulation sink (Eq. 5&6 in
4981	!< Lehtinen et al. 2007)
4982	REAL(wp) :: zm_x !< particle mass (kg) for x = 3nm
4983	REAL(wp) :: zmfp !< mean free path of condesing vapour(m)
4984	REAL(wp) :: zmixnh3 !< ammonia mixing ratio (ppt)
4985	REAL(wp) :: zmyy !< gas dynamic viscosity (N*s/m2)
4986	REAL(wp) :: z_n_nuc !< number of clusters/particles at the size range d1-dx (#/m3)
4987	REAL(wp) :: znoc !< number of organic molecules in critical cluster
4988	REAL(wp) :: znsa !< number of H2SO4 molecules in critical cluster
4989
4990	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia concentration (#/m3)
4991	REAL(wp), INTENT(in) :: pc_ocnv !< conc. of non-volatile OC (#/m3)
4992	REAL(wp), INTENT(in) :: pc_sa !< sulphuric acid conc. (#/m3)
4993	REAL(wp), INTENT(in) :: ppres !< ambient air pressure (Pa)
4994	REAL(wp), INTENT(in) :: prh !< ambient rel. humidity [0-1]
4995	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4996	REAL(wp), INTENT(in) :: ptstep !< time step (s) of SALSA
4997
4998	REAL(wp), INTENT(inout) :: pj3n3(2) !< formation mass rate of molecules (molec/m3s) for
4999	!< 1: H2SO4 and 2: organic vapour
5000
5001	REAL(wp), INTENT(out) :: pxocnv !< ratio of non-volatile organic vapours in 3 nm particles
5002	REAL(wp), INTENT(out) :: pxsa !< ratio of H2SO4 in 3 nm aerosol particles
5003
5004	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
5005	REAL(wp), DIMENSION(nbins_aerosol) :: zcc_2 !< Cunningham correct factor:2
5006	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_2 !< mean relative thermal velocity (m/s): 2
5007	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_c2 !< average velocity after coagulation: c & 2
5008	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_x2 !< average velocity after coagulation: x & 2
5009	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_2 !< particle diffusion coefficient (m2/s): 2
5010	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c !< particle diffusion coefficient (m2/s): c
5011	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c2 !< sum of diffusion coef. for c and 2
5012	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x !< particle diffusion coefficient (m2/s): x
5013	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x2 !< sum of diffusion coef. for: x & 2
5014	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_2 !< zgamma_f for calculating zomega
5015	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_c !< zgamma_f for calculating zomega
5016	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_x !< zgamma_f for calculating zomega
5017	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_c2 !< coagulation coef. in the continuum
5018	!< regime: c & 2
5019	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_x2 !< coagulation coef. in the continuum
5020	!< regime: x & 2
5021	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
5022	REAL(wp), DIMENSION(nbins_aerosol) :: zknud_2 !< particle Knudsen number: 2
5023	REAL(wp), DIMENSION(nbins_aerosol) :: zm_2 !< particle mass (kg): 2
5024	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2c !< zomega (m) for calculating zsigma: c & 2
5025	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2x !< zomega (m) for calculating zsigma: x & 2
5026	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_c !< zomega (m) for calculating zsigma: c
5027	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_x !< zomega (m) for calculating zsigma: x
5028	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_c2 !< sum of the radii: c & 2
5029	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_x2 !< sum of the radii: x & 2
5030	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_c2 !<
5031	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_x2 !<
5032
5033	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
5034	!
5035	!-- 1) Nucleation rate (zjnuc) and diameter of critical cluster (zdcrit)
5036	zjnuc = 0.0_wp
5037	znsa = 0.0_wp
5038	znoc = 0.0_wp
5039	zdcrit = 0.0_wp
5040	zksa = 0.0_wp
5041	zkocnv = 0.0_wp
5042
5043	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
5044	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
5045	zmixnh3 = pc_nh3 * ptemp * argas / ( ppres * avo )
5046
5047	SELECT CASE ( nsnucl )
5048	!
5049	!-- Binary H2SO4-H2O nucleation
5050	CASE(1)
5051
5052	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
5053	!
5054	!-- Activation type nucleation (See Riipinen et al. (2007), Atmos. Chem. Phys., 7(8), 1899-1914)
5055	CASE(2)
5056	!
5057	!-- Nucleation rate (#/(m3 s))
5058	zc_h2so4 = MAX( zc_h2so4, 1.0E4_wp )
5059	zc_h2so4 = MIN( zc_h2so4, 1.0E11_wp )
5060	zjnuc = act_coeff * pc_sa ! (#/(m3 s))
5061	!
5062	!-- Organic compounds not involved when kinetic nucleation is assumed.
5063	zdcrit = 7.9375E-10_wp ! (m)
5064	zkocnv = 0.0_wp
5065	zksa = 1.0_wp
5066	znoc = 0.0_wp
5067	znsa = 2.0_wp
5068	!
5069	!-- Kinetically limited nucleation of (NH4)HSO4 clusters
5070	!-- (See Sihto et al. (2006), Atmos. Chem. Phys., 6(12), 4079-4091.)
5071	CASE(3)
5072	!
5073	!-- Nucleation rate = coagcoeffzpcsa*2 (#/(m3 s))
5074	zc_h2so4 = MAX( zc_h2so4, 1.0E4_wp )
5075	zc_h2so4 = MIN( zc_h2so4, 1.0E11_wp )
5076	zjnuc = 5.0E-13_wp * zc_h2so4*2.0_wp 1.0E+6_wp
5077	!
5078	!-- Organic compounds not involved when kinetic nucleation is assumed.
5079	zdcrit = 7.9375E-10_wp ! (m)
5080	zkocnv = 0.0_wp
5081	zksa = 1.0_wp
5082	znoc = 0.0_wp
5083	znsa = 2.0_wp
5084	!
5085	!-- Ternary H2SO4-H2O-NH3 nucleation
5086	CASE(4)
5087
5088	CALL ternucl( zc_h2so4, zmixnh3, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
5089	!
5090	!-- Organic nucleation, J~[ORG] or J~[ORG]**2
5091	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.)
5092	CASE(5)
5093	!
5094	!-- Homomolecular nuleation rate
5095	zjnuc = 1.3E-7_wp * pc_ocnv ! (1/s) (Paasonen et al. Table 4: median a_org)
5096	!
5097	!-- H2SO4 not involved when pure organic nucleation is assumed.
5098	zdcrit = 1.5E-9 ! (m)
5099	zkocnv = 1.0_wp
5100	zksa = 0.0_wp
5101	znoc = 1.0_wp
5102	znsa = 0.0_wp
5103	!
5104	!-- Sum of H2SO4 and organic activation type nucleation, J~[H2SO4]+[ORG]
5105	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242)
5106	CASE(6)
5107	!
5108	!-- Nucleation rate (#/m3/s)
5109	zjnuc = 6.1E-7_wp * pc_sa + 0.39E-7_wp * pc_ocnv ! (Paasonen et al. Table 3.)
5110	!
5111	!-- Both organic compounds and H2SO4 are involved when sumnucleation is assumed.
5112	zdcrit = 1.5E-9_wp ! (m)
5113	zkocnv = 1.0_wp
5114	zksa = 1.0_wp
5115	znoc = 1.0_wp
5116	znsa = 1.0_wp
5117	!
5118	!-- Heteromolecular nucleation, J~[H2SO4]*[ORG]
5119	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.)
5120	CASE(7)
5121	!
5122	!-- Nucleation rate (#/m3/s)
5123	zjnuc = 4.1E-14_wp * pc_sa * pc_ocnv * 1.0E6_wp ! (Paasonen et al. Table 4: median)
5124	!
5125	!-- Both organic compounds and H2SO4 are involved when heteromolecular nucleation is assumed
5126	zdcrit = 1.5E-9_wp ! (m)
5127	zkocnv = 1.0_wp
5128	zksa = 1.0_wp
5129	znoc = 1.0_wp
5130	znsa = 1.0_wp
5131	!
5132	!-- Homomolecular nucleation of H2SO4 and heteromolecular nucleation of H2SO4 and organic vapour,
5133	!-- J~[H2SO4]*2 + [H2SO4][ORG] (EUCAARI project)
5134	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242)
5135	CASE(8)
5136	!
5137	!-- Nucleation rate (#/m3/s)
5138	zjnuc = ( 1.1E-14_wp * zc_h2so4*2 + 3.2E-14_wp zc_h2so4 * zc_org ) * 1.0E+6_wp
5139	!
5140	!-- Both organic compounds and H2SO4 are involved when SAnucleation is assumed
5141	zdcrit = 1.5E-9_wp ! (m)
5142	zkocnv = 1.0_wp
5143	zksa = 1.0_wp
5144	znoc = 1.0_wp
5145	znsa = 3.0_wp
5146	!
5147	!-- Homomolecular nucleation of H2SO4 and organic vapour and heteromolecular nucleation of H2SO4
5148	!-- and organic vapour, J~[H2SO4]*2 + [H2SO4][ORG]+[ORG]**2 (EUCAARI project)
5149	CASE(9)
5150	!
5151	!-- Nucleation rate (#/m3/s)
5152	zjnuc = ( 1.4E-14_wp * zc_h2so4*2 + 2.6E-14_wp zc_h2so4 * zc_org + 0.037E-14_wp * &
5153	zc_org*2 ) 1.0E+6_wp
5154	!
5155	!-- Both organic compounds and H2SO4 are involved when SAORGnucleation is assumed
5156	zdcrit = 1.5E-9_wp ! (m)
5157	zkocnv = 1.0_wp
5158	zksa = 1.0_wp
5159	znoc = 3.0_wp
5160	znsa = 3.0_wp
5161
5162	END SELECT
5163
5164	zcsa_local = pc_sa
5165	zcocnv_local = pc_ocnv
5166	!
5167	!-- 2) Change of particle and gas concentrations due to nucleation
5168	!
5169	!-- 2.1) Check that there is enough H2SO4 and organic vapour to produce the nucleation
5170	IF ( nsnucl <= 4 ) THEN
5171	!
5172	!-- If the chosen nucleation scheme is 1-4, nucleation occurs only due to H2SO4. All of the total
5173	!-- vapour concentration that is taking part to the nucleation is there for sulphuric acid
5174	!-- (sa = H2SO4) and non-volatile organic vapour is zero.
5175	pxsa = 1.0_wp ! ratio of sulphuric acid in 3nm particles
5176	pxocnv = 0.0_wp ! ratio of non-volatile origanic vapour
5177	! in 3nm particles
5178	ELSEIF ( nsnucl > 4 ) THEN
5179	!
5180	!-- If the chosen nucleation scheme is 5-9, nucleation occurs due to organic vapour or the
5181	!-- combination of organic vapour and H2SO4. The number of needed molecules depends on the chosen
5182	!-- nucleation type and it has an effect also on the minimum ratio of the molecules present.
5183	IF ( pc_sa * znsa + pc_ocnv * znoc < 1.E-14_wp ) THEN
5184	pxsa = 0.0_wp
5185	pxocnv = 0.0_wp
5186	ELSE
5187	pxsa = pc_sa * znsa / ( pc_sa * znsa + pc_ocnv * znoc )
5188	pxocnv = pc_ocnv * znoc / ( pc_sa * znsa + pc_ocnv * znoc )
5189	ENDIF
5190	ENDIF
5191	!
5192	!-- The change in total vapour concentration is the sum of the concentrations of the vapours taking
5193	!-- part to the nucleation (depends on the chosen nucleation scheme)
5194	zdelta_vap = MIN( zjnuc * ( znoc + znsa ), ( pc_ocnv * zkocnv + pc_sa * zksa ) / ptstep )
5195	!
5196	!-- Nucleation rate J at ~1nm (#/m3s)
5197	zjnuc = zdelta_vap / ( znoc + znsa )
5198	!
5199	!-- H2SO4 concentration after nucleation (#/m3)
5200	zcsa_local = MAX( 1.0_wp, pc_sa - zdelta_vap * pxsa )
5201	!
5202	!-- Non-volative organic vapour concentration after nucleation (#/m3)
5203	zcocnv_local = MAX( 1.0_wp, pc_ocnv - zdelta_vap * pxocnv )
5204	!
5205	!-- 2.2) Formation rate of 3 nm particles (Kerminen & Kulmala, 2002)
5206	!
5207	!-- Growth rate by H2SO4 and organic vapour (nm/h, Eq. 21)
5208	z_gr_clust = 2.3623E-15_wp * SQRT( ptemp ) * ( zcsa_local + zcocnv_local )
5209	!
5210	!-- 2.2.2) Condensational sink of pre-existing particle population
5211	!
5212	!-- Diffusion coefficient (m2/s)
5213	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
5214	!
5215	!-- Mean free path of condensing vapour (m) (Jacobson (2005), Eq. 15.25 and 16.29)
5216	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
5217	!
5218	!-- Knudsen number
5219	zknud = 2.0_wp * zmfp / ( paero(:)%dwet + d_sa )
5220	!
5221	!-- Transitional regime correction factor (zbeta) according to Fuchs and Sutugin (1971) (Eq. 4 in
5222	!-- Kerminen and Kulmala, 2002)
5223	zbeta = ( zknud + 1.0_wp) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
5224	( zknud + zknud**2 ) )
5225	!
5226	!-- Condensational sink (#/m2, Eq. 3)
5227	zcsink = SUM( paero(:)%dwet * zbeta * paero(:)%numc )
5228	!
5229	!-- 2.2.3) Parameterised formation rate of detectable 3 nm particles (i.e. J3)
5230	IF ( nj3 == 1 ) THEN ! Kerminen and Kulmala (2002)
5231	!
5232	!-- Constants needed for the parameterisation: dapp = 3 nm and dens_nuc = 1830 kg/m3
5233	IF ( zcsink < 1.0E-30_wp ) THEN
5234	zeta = 0._dp
5235	ELSE
5236	!
5237	!-- Mean diameter of backgroud population (nm)
5238	zdmean = 1.0_wp / SUM( paero(:)%numc ) * SUM( paero(:)%numc * paero(:)%dwet ) * 1.0E+9_wp
5239	!
5240	!-- Proportionality factor (nm2*m2/h) (Eq. 22)
5241	zgamma = 0.23_wp * ( zdcrit * 1.0E+9_wp )*0.2_wp ( zdmean / 150.0_wp )*0.048_wp &
5242	( ptemp / 293.0_wp )*( -0.75_wp ) ( arhoh2so4 / 1000.0_wp )**( -0.33_wp )
5243	!
5244	!-- Factor eta (nm, Eq. 11)
5245	zeta = MIN( zgamma * zcsink / z_gr_clust, zdcrit * 1.0E11_wp )
5246	ENDIF
5247	!
5248	!-- Number conc. of clusters surviving to 3 nm in a time step (#/m3, Eq.14)
5249	zj3 = zjnuc * EXP( MIN( 0.0_wp, zeta / 3.0_wp - zeta / ( zdcrit * 1.0E9_wp ) ) )
5250
5251	ELSEIF ( nj3 > 1 ) THEN ! Lehtinen et al. (2007) or Anttila et al. (2010)
5252	!
5253	!-- Defining the parameter m (zm_para) for calculating the coagulation sink onto background
5254	!-- particles (Eq. 5&6 in Lehtinen et al. 2007). The growth is investigated between
5255	!-- [d1,reglim(1)] = [zdcrit,3nm] and m = LOG( CoagS_dx / CoagX_zdcrit ) / LOG( reglim / zdcrit )
5256	!-- (Lehtinen et al. 2007, Eq. 6).
5257	!-- The steps for the coagulation sink for reglim = 3nm and zdcrit ~= 1nm are explained in
5258	!-- Kulmala et al. (2001). The particles of diameter zdcrit ~1.14 nm and reglim = 3nm are both
5259	!-- in turn the "number 1" variables (Kulmala et al. 2001).
5260	!-- c = critical (1nm), x = 3nm, 2 = wet or mean droplet
5261	!
5262	!-- Sum of the radii, R12 = R1 + R2 (m) of two particles 1 and 2
5263	z_r_c2 = zdcrit / 2.0_wp + paero(:)%dwet / 2.0_wp
5264	z_r_x2 = reglim(1) / 2.0_wp + paero(:)%dwet / 2.0_wp
5265	!
5266	!-- Particle mass (kg) (comes only from H2SO4)
5267	zm_c = 4.0_wp / 3.0_wp * pi * ( zdcrit / 2.0_wp )*3 arhoh2so4
5268	zm_x = 4.0_wp / 3.0_wp * pi * ( reglim(1) / 2.0_wp )*3 arhoh2so4
5269	zm_2 = 4.0_wp / 3.0_wp * pi * ( 0.5_wp * paero(:)%dwet )*3 arhoh2so4
5270	!
5271	!-- Mean relative thermal velocity between the particles (m/s)
5272	zcv_c = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_c ) )
5273	zcv_x = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_x ) )
5274	zcv_2 = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_2 ) )
5275	!
5276	!-- Average velocity after coagulation
5277	zcv_c2(:) = SQRT( zcv_c2 + zcv_22 )
5278	zcv_x2(:) = SQRT( zcv_x2 + zcv_22 )
5279	!
5280	!-- Knudsen number (zmfp = mean free path of condensing vapour)
5281	zknud_c = 2.0_wp * zmfp / zdcrit
5282	zknud_x = 2.0_wp * zmfp / reglim(1)
5283	zknud_2(:) = MAX( 0.0_wp, 2.0_wp * zmfp / paero(:)%dwet )
5284	!
5285	!-- Cunningham correction factors (Allen and Raabe, 1985)
5286	zcc_c = 1.0_wp + zknud_c * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_c ) )
5287	zcc_x = 1.0_wp + zknud_x * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_x ) )
5288	zcc_2(:) = 1.0_wp + zknud_2(:) * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_2(:) ) )
5289	!
5290	!-- Gas dynamic viscosity (Ns/m2). Here, viscocity(air @20C) = 1.81e-5_dp N/m2 s (Hinds, p. 25)
5291	zmyy = 1.81E-5_wp * ( ptemp / 293.0_wp )**0.74_wp
5292	!
5293	!-- Particle diffusion coefficient (m2/s) (continuum regime)
5294	zdc_c(:) = abo * ptemp * zcc_c / ( 3.0_wp * pi * zmyy * zdcrit )
5295	zdc_x(:) = abo * ptemp * zcc_x / ( 3.0_wp * pi * zmyy * reglim(1) )
5296	zdc_2(:) = abo * ptemp * zcc_2(:) / ( 3.0_wp * pi * zmyy * paero(:)%dwet )
5297	!
5298	!-- D12 = D1+D2 (Seinfield and Pandis, 2nd ed. Eq. 13.38)
5299	zdc_c2 = zdc_c + zdc_2
5300	zdc_x2 = zdc_x + zdc_2
5301	!
5302	!-- zgamma_f = 8*D/pi/zcv (m) for calculating zomega (Fuchs, 1964)
5303	zgamma_f_c = 8.0_wp * zdc_c / pi / zcv_c
5304	zgamma_f_x = 8.0_wp * zdc_x / pi / zcv_x
5305	zgamma_f_2 = 8.0_wp * zdc_2 / pi / zcv_2
5306	!
5307	!-- zomega (m) for calculating zsigma
5308	zomega_c = ( ( z_r_c2 + zgamma_f_c )3 - ( z_r_c2 2 + zgamma_f_c )**1.5_wp ) / &
5309	( 3.0_wp * z_r_c2 * zgamma_f_c ) - z_r_c2
5310	zomega_x = ( ( z_r_x2 + zgamma_f_x )3 - ( z_r_x22 + zgamma_f_x )** 1.5_wp ) / &
5311	( 3.0_wp * z_r_x2 * zgamma_f_x ) - z_r_x2
5312	zomega_2c = ( ( z_r_c2 + zgamma_f_2 )3 - ( z_r_c22 + zgamma_f_2 )**1.5_wp ) / &
5313	( 3.0_wp * z_r_c2 * zgamma_f_2 ) - z_r_c2
5314	zomega_2x = ( ( z_r_x2 + zgamma_f_2 )3 - ( z_r_x22 + zgamma_f_2 )**1.5_wp ) / &
5315	( 3.0_wp * z_r_x2 * zgamma_f_2 ) - z_r_x2
5316	!
5317	!-- The distance (m) at which the two fluxes are matched (condensation and coagulation sinks)
5318	zsigma_c2 = SQRT( zomega_c2 + zomega_2c2 )
5319	zsigma_x2 = SQRT( zomega_x2 + zomega_2x2 )
5320	!
5321	!-- Coagulation coefficient in the continuum regime (m*m2/s, Eq. 17 in Kulmala et al., 2001)
5322	z_k_c2 = 4.0_wp * pi * z_r_c2 * zdc_c2 / ( z_r_c2 / ( z_r_c2 + zsigma_c2 ) + &
5323	4.0_wp * zdc_c2 / ( zcv_c2 * z_r_c2 ) )
5324	z_k_x2 = 4.0_wp * pi * z_r_x2 * zdc_x2 / ( z_r_x2 / ( z_r_x2 + zsigma_x2 ) + &
5325	4.0_wp * zdc_x2 / ( zcv_x2 * z_r_x2 ) )
5326	!
5327	!-- Coagulation sink (1/s, Eq. 16 in Kulmala et al., 2001)
5328	zcoags_c = MAX( 1.0E-20_wp, SUM( z_k_c2 * paero(:)%numc ) )
5329	zcoags_x = MAX( 1.0E-20_wp, SUM( z_k_x2 * paero(:)%numc ) )
5330	!
5331	!-- Parameter m for calculating the coagulation sink onto background particles (Eq. 5&6 in
5332	!-- Lehtinen et al. 2007)
5333	zm_para = LOG( zcoags_x / zcoags_c ) / LOG( reglim(1) / zdcrit )
5334	!
5335	!-- Parameter gamma for calculating the formation rate J of particles having
5336	!-- a diameter zdcrit < d < reglim(1) (Anttila et al. 2010, eq. 5 or Lehtinen et al.,2007, eq. 7)
5337	zgamma = ( ( ( reglim(1) / zdcrit )**( zm_para + 1.0_wp ) ) - 1.0_wp ) / ( zm_para + 1.0_wp )
5338
5339	IF ( nj3 == 2 ) THEN ! Lehtinen et al. (2007): coagulation sink
5340	!
5341	!-- Formation rate J before iteration (#/m3s)
5342	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoags_c / ( z_gr_clust * 1.0E-9_wp / &
5343	60.0_wp**2 ) ) )
5344
5345	ELSEIF ( nj3 == 3 ) THEN ! Anttila et al. (2010): coagulation sink and self-coag.
5346	!
5347	!-- If air is polluted, the self-coagulation becomes important. Self-coagulation of small
5348	!-- particles < 3 nm.
5349	!
5350	!-- "Effective" coagulation coefficient between freshly-nucleated particles:
5351	z_k_eff = 5.0E-16_wp ! m3/s
5352	!
5353	!-- zlambda parameter for "adjusting" the growth rate due to the self-coagulation
5354	zlambda = 6.0_wp
5355
5356	IF ( reglim(1) >= 10.0E-9_wp ) THEN ! for particles >10 nm:
5357	z_k_eff = 5.0E-17_wp
5358	zlambda = 3.0_wp
5359	ENDIF
5360	!
5361	!-- Initial values for coagulation sink and growth rate (m/s)
5362	zcoagstot = zcoags_c
5363	z_gr_tot = z_gr_clust * 1.0E-9_wp / 60.0_wp**2
5364	!
5365	!-- Number of clusters/particles at the size range [d1,dx] (#/m3):
5366	z_n_nuc = zjnuc / zcoagstot !< Initial guess
5367	!
5368	!-- Coagulation sink and growth rate due to self-coagulation:
5369	DO iteration = 1, 5
5370	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s, Anttila et al., eq. 1)
5371	z_gr_tot = z_gr_clust * 2.77777777E-7_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
5372	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 2.77777777E-7_wp ! (Eq. 3)
5373	zeta = - zcoagstot / ( ( zm_para + 1.0_wp ) * z_gr_tot * ( zdcrit**zm_para ) ) ! (Eq.7b)
5374	!
5375	!-- Calculate Eq. 7a (Taylor series for the number of particles between [d1,dx])
5376	z_n_nuc = z_n_nuc_tayl( zdcrit, reglim(1), zm_para, zjnuc, zeta, z_gr_tot )
5377	ENDDO
5378	!
5379	!-- Calculate the final values with new z_n_nuc:
5380	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s)
5381	z_gr_tot = z_gr_clust * 1.0E-9_wp / 3600.0_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
5382	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 1.0E-9_wp / 3600.0_wp !< (m/s)
5383	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoagstot / z_gr_tot ) ) ! (#/m3s, Eq.5a)
5384
5385	ENDIF
5386	ENDIF
5387	!
5388	!-- If J3 very small (< 1 #/cm3), neglect particle formation. In real atmosphere this would mean
5389	!-- that clusters form but coagulate to pre-existing particles who gain sulphate. Since
5390	!-- CoagS ~ CS (4piDCS'), we do not* update H2SO4 concentration here but let condensation take
5391	!-- care of it. Formation mass rate of molecules (molec/m3s) for 1: H2SO4 and 2: organic vapour
5392	pj3n3(1) = zj3 * n3 * pxsa
5393	pj3n3(2) = zj3 * n3 * pxocnv
5394
5395	END SUBROUTINE nucleation
5396
5397	!------------------------------------------------------------------------------!
5398	! Description:
5399	! ------------
5400	!> Calculate the nucleation rate and the size of critical clusters assuming
5401	!> binary nucleation.
5402	!> Parametrisation according to Vehkamaki et al. (2002), J. Geophys. Res.,
5403	!> 107(D22), 4622. Called from subroutine nucleation.
5404	!------------------------------------------------------------------------------!
5405	SUBROUTINE binnucl( pc_sa, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, pk_sa, &
5406	pk_ocnv )
5407
5408	IMPLICIT NONE
5409
5410	REAL(wp) :: za !<
5411	REAL(wp) :: zb !<
5412	REAL(wp) :: zc !<
5413	REAL(wp) :: zcoll !<
5414	REAL(wp) :: zlogsa !< LOG( zpcsa )
5415	REAL(wp) :: zlogrh !< LOG( zrh )
5416	REAL(wp) :: zm1 !<
5417	REAL(wp) :: zm2 !<
5418	REAL(wp) :: zma !<
5419	REAL(wp) :: zmw !<
5420	REAL(wp) :: zntot !< number of molecules in critical cluster
5421	REAL(wp) :: zpcsa !< sulfuric acid concentration
5422	REAL(wp) :: zrh !< relative humidity
5423	REAL(wp) :: zroo !<
5424	REAL(wp) :: zt !< temperature
5425	REAL(wp) :: zv1 !<
5426	REAL(wp) :: zv2 !<
5427	REAL(wp) :: zx !< mole fraction of sulphate in critical cluster
5428	REAL(wp) :: zxmass !<
5429
5430	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
5431	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1
5432	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5433
5434	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5435	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5436	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5437	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
5438	REAL(wp), INTENT(out) :: pk_sa !< Lever: if pk_sa = 1, H2SO4 is involved in nucleation.
5439	REAL(wp), INTENT(out) :: pk_ocnv !< Lever: if pk_ocnv = 1, organic compounds are involved
5440
5441	pnuc_rate = 0.0_wp
5442	pd_crit = 1.0E-9_wp
5443	!
5444	!-- 1) Checking that we are in the validity range of the parameterization
5445	zpcsa = MAX( pc_sa, 1.0E4_wp )
5446	zpcsa = MIN( zpcsa, 1.0E11_wp )
5447	zrh = MAX( prh, 0.0001_wp )
5448	zrh = MIN( zrh, 1.0_wp )
5449	zt = MAX( ptemp, 190.15_wp )
5450	zt = MIN( zt, 300.15_wp )
5451
5452	zlogsa = LOG( zpcsa )
5453	zlogrh = LOG( prh )
5454	!
5455	!-- 2) Mole fraction of sulphate in a critical cluster (Eq. 11)
5456	zx = 0.7409967177282139_wp - 0.002663785665140117_wp * zt + &
5457	0.002010478847383187_wp * zlogrh - 0.0001832894131464668_wp* zt * zlogrh + &
5458	0.001574072538464286_wp * zlogrh*2 - 0.00001790589121766952_wp zt * zlogrh**2 + &
5459	0.0001844027436573778_wp * zlogrh*3 - 1.503452308794887E-6_wp zt * zlogrh**3 - &
5460	0.003499978417957668_wp * zlogsa + 0.0000504021689382576_wp * zt * zlogsa
5461	!
5462	!-- 3) Nucleation rate (Eq. 12)
5463	pnuc_rate = 0.1430901615568665_wp + 2.219563673425199_wp * zt - &
5464	0.02739106114964264_wp * zt*2 + 0.00007228107239317088_wp zt**3 + &
5465	5.91822263375044_wp / zx + 0.1174886643003278_wp * zlogrh + &
5466	0.4625315047693772_wp * zt * zlogrh - 0.01180591129059253_wp * zt*2 zlogrh + &
5467	0.0000404196487152575_wp * zt*3 zlogrh + &
5468	( 15.79628615047088_wp * zlogrh ) / zx - 0.215553951893509_wp * zlogrh**2 - &
5469	0.0810269192332194_wp * zt * zlogrh**2 + &
5470	0.001435808434184642_wp * zt*2 zlogrh**2 - &
5471	4.775796947178588E-6_wp * zt*3 zlogrh**2 - &
5472	( 2.912974063702185_wp * zlogrh*2 ) / zx - 3.588557942822751_wp zlogrh**3 + &
5473	0.04950795302831703_wp * zt * zlogrh**3 - &
5474	0.0002138195118737068_wp * zt*2 zlogrh**3 + &
5475	3.108005107949533E-7_wp * zt*3 zlogrh**3 - &
5476	( 0.02933332747098296_wp * zlogrh*3 ) / zx + 1.145983818561277_wp zlogsa - &
5477	0.6007956227856778_wp * zt * zlogsa + 0.00864244733283759_wp * zt*2 zlogsa - &
5478	0.00002289467254710888_wp * zt*3 zlogsa - &
5479	( 8.44984513869014_wp * zlogsa ) / zx + 2.158548369286559_wp * zlogrh * zlogsa + &
5480	0.0808121412840917_wp * zt * zlogrh * zlogsa - &
5481	0.0004073815255395214_wp * zt*2 zlogrh * zlogsa - &
5482	4.019572560156515E-7_wp * zt*3 zlogrh * zlogsa + &
5483	( 0.7213255852557236_wp * zlogrh * zlogsa ) / zx + &
5484	1.62409850488771_wp * zlogrh*2 zlogsa - &
5485	0.01601062035325362_wp * zt * zlogrh*2 zlogsa + &
5486	0.00003771238979714162_wpzt2 zlogrh*2 zlogsa + &
5487	3.217942606371182E-8_wp * zt*3 zlogrh*2 zlogsa - &
5488	( 0.01132550810022116_wp * zlogrh*2 zlogsa ) / zx + &
5489	9.71681713056504_wp * zlogsa*2 - 0.1150478558347306_wp zt * zlogsa**2 + &
5490	0.0001570982486038294_wp * zt*2 zlogsa**2 + &
5491	4.009144680125015E-7_wp * zt*3 zlogsa**2 + &
5492	( 0.7118597859976135_wp * zlogsa**2 ) / zx - &
5493	1.056105824379897_wp * zlogrh * zlogsa**2 + &
5494	0.00903377584628419_wp * zt * zlogrh * zlogsa**2 - &
5495	0.00001984167387090606_wp * zt*2 zlogrh * zlogsa**2 + &
5496	2.460478196482179E-8_wp * zt*3 zlogrh * zlogsa**2 - &
5497	( 0.05790872906645181_wp * zlogrh * zlogsa**2 ) / zx - &
5498	0.1487119673397459_wp * zlogsa*3 + 0.002835082097822667_wp zt * zlogsa**3 - &
5499	9.24618825471694E-6_wp * zt*2 zlogsa**3 + &
5500	5.004267665960894E-9_wp * zt*3 zlogsa**3 - &
5501	( 0.01270805101481648_wp * zlogsa**3 ) / zx
5502	!
5503	!-- Nucleation rate in #/(cm3 s)
5504	pnuc_rate = EXP( pnuc_rate )
5505	!
5506	!-- Check the validity of parameterization
5507	IF ( pnuc_rate < 1.0E-7_wp ) THEN
5508	pnuc_rate = 0.0_wp
5509	pd_crit = 1.0E-9_wp
5510	ENDIF
5511	!
5512	!-- 4) Total number of molecules in the critical cluster (Eq. 13)
5513	zntot = - 0.002954125078716302_wp - 0.0976834264241286_wp * zt + &
5514	0.001024847927067835_wp * zt*2 - 2.186459697726116E-6_wp zt**3 - &
5515	0.1017165718716887_wp / zx - 0.002050640345231486_wp * zlogrh - &
5516	0.007585041382707174_wp * zt * zlogrh + 0.0001926539658089536_wp * zt*2 zlogrh - &
5517	6.70429719683894E-7_wp * zt*3 zlogrh - ( 0.2557744774673163_wp * zlogrh ) / zx + &
5518	0.003223076552477191_wp * zlogrh*2 + 0.000852636632240633_wp zt * zlogrh**2 - &
5519	0.00001547571354871789_wp * zt*2 zlogrh**2 + &
5520	5.666608424980593E-8_wp * zt*3 zlogrh**2 + &
5521	( 0.03384437400744206_wp * zlogrh**2 ) / zx + &
5522	0.04743226764572505_wp * zlogrh*3 - 0.0006251042204583412_wp zt * zlogrh**3 + &
5523	2.650663328519478E-6_wp * zt*2 zlogrh**3 - &
5524	3.674710848763778E-9_wp * zt*3 zlogrh**3 - &
5525	( 0.0002672510825259393_wp * zlogrh*3 ) / zx - 0.01252108546759328_wp zlogsa + &
5526	0.005806550506277202_wp * zt * zlogsa - 0.0001016735312443444_wp * zt*2 zlogsa + &
5527	2.881946187214505E-7_wp * zt*3 zlogsa + ( 0.0942243379396279_wp * zlogsa ) / zx - &
5528	0.0385459592773097_wp * zlogrh * zlogsa - &
5529	0.0006723156277391984_wp * zt * zlogrh * zlogsa + &
5530	2.602884877659698E-6_wp * zt*2 zlogrh * zlogsa + &
5531	1.194163699688297E-8_wp * zt*3 zlogrh * zlogsa - &
5532	( 0.00851515345806281_wp * zlogrh * zlogsa ) / zx - &
5533	0.01837488495738111_wp * zlogrh*2 zlogsa + &
5534	0.0001720723574407498_wp * zt * zlogrh*2 zlogsa - &
5535	3.717657974086814E-7_wp * zt*2 zlogrh*2 zlogsa - &
5536	5.148746022615196E-10_wp * zt*3 zlogrh*2 zlogsa + &
5537	( 0.0002686602132926594_wp * zlogrh*2 zlogsa ) / zx - &
5538	0.06199739728812199_wp * zlogsa*2 + 0.000906958053583576_wp zt * zlogsa**2 - &
5539	9.11727926129757E-7_wp * zt*2 zlogsa**2 - &
5540	5.367963396508457E-9_wp * zt*3 zlogsa**2 - &
5541	( 0.007742343393937707_wp * zlogsa**2 ) / zx + &
5542	0.0121827103101659_wp * zlogrh * zlogsa**2 - &
5543	0.0001066499571188091_wp * zt * zlogrh * zlogsa**2 + &
5544	2.534598655067518E-7_wp * zt*2 zlogrh * zlogsa**2 - &
5545	3.635186504599571E-10_wp * zt*3 zlogrh * zlogsa**2 + &
5546	( 0.0006100650851863252_wp * zlogrh * zlogsa **2 ) / zx + &
5547	0.0003201836700403512_wp * zlogsa*3 - 0.0000174761713262546_wp zt * zlogsa**3 + &
5548	6.065037668052182E-8_wp * zt*2 zlogsa**3 - &
5549	1.421771723004557E-11_wp * zt*3 zlogsa**3 + &
5550	( 0.0001357509859501723_wp * zlogsa**3 ) / zx
5551	zntot = EXP( zntot ) ! in #
5552	!
5553	!-- 5) Size of the critical cluster pd_crit (m) (diameter) (Eq. 14)
5554	pn_crit_sa = zx * zntot
5555	pd_crit = 2.0E-9_wp * EXP( -1.6524245_wp + 0.42316402_wp * zx + 0.33466487_wp * LOG( zntot ) )
5556	!
5557	!-- 6) Organic compounds not involved when binary nucleation is assumed
5558	pn_crit_ocnv = 0.0_wp ! number of organic molecules
5559	pk_sa = 1.0_wp ! if = 1, H2SO4 involved in nucleation
5560	pk_ocnv = 0.0_wp ! if = 1, organic compounds involved
5561	!
5562	!-- Set nucleation rate to collision rate
5563	IF ( pn_crit_sa < 4.0_wp ) THEN
5564	!
5565	!-- Volumes of the colliding objects
5566	zma = 96.0_wp ! molar mass of SO4 in g/mol
5567	zmw = 18.0_wp ! molar mass of water in g/mol
5568	zxmass = 1.0_wp ! mass fraction of H2SO4
5569	za = 0.7681724_wp + zxmass * ( 2.1847140_wp + zxmass * &
5570	( 7.1630022_wp + zxmass * &
5571	( -44.31447_wp + zxmass * &
5572	( 88.75606 + zxmass * &
5573	( -75.73729_wp + zxmass * 23.43228_wp ) ) ) ) )
5574	zb = 1.808225E-3_wp + zxmass * ( -9.294656E-3_wp + zxmass * &
5575	( -0.03742148_wp + zxmass * &
5576	( 0.2565321_wp + zxmass * &
5577	( -0.5362872_wp + zxmass * &
5578	( 0.4857736 - zxmass * 0.1629592_wp ) ) ) ) )
5579	zc = - 3.478524E-6_wp + zxmass * ( 1.335867E-5_wp + zxmass * &
5580	( 5.195706E-5_wp + zxmass * &
5581	( -3.717636E-4_wp + zxmass * &
5582	( 7.990811E-4_wp + zxmass * &
5583	( -7.458060E-4_wp + zxmass * 2.58139E-4_wp ) ) ) ) )
5584	!
5585	!-- Density for the sulphuric acid solution (Eq. 10 in Vehkamaki)
5586	zroo = ( za + zt * ( zb + zc * zt ) ) * 1.0E+3_wp ! (kg/m^3
5587	zm1 = 0.098_wp ! molar mass of H2SO4 in kg/mol
5588	zm2 = zm1
5589	zv1 = zm1 / avo / zroo ! volume
5590	zv2 = zv1
5591	!
5592	!-- Collision rate
5593	zcoll = zpcsa * zpcsa * ( 3.0_wp * pi / 4.0_wp )*0.16666666_wp &
5594	SQRT( 6.0_wp * argas * zt / zm1 + 6.0_wp * argas * zt / zm2 ) * &
5595	( zv10.33333333_wp + zv20.33333333_wp )*2 1.0E+6_wp ! m3 -> cm3
5596	zcoll = MIN( zcoll, 1.0E+10_wp )
5597	pnuc_rate = zcoll ! (#/(cm3 s))
5598
5599	ELSE
5600	pnuc_rate = MIN( pnuc_rate, 1.0E+10_wp )
5601	ENDIF
5602	pnuc_rate = pnuc_rate * 1.0E+6_wp ! (#/(m3 s))
5603
5604	END SUBROUTINE binnucl
5605
5606	!------------------------------------------------------------------------------!
5607	! Description:
5608	! ------------
5609	!> Calculate the nucleation rate and the size of critical clusters assuming
5610	!> ternary nucleation. Parametrisation according to:
5611	!> Napari et al. (2002), J. Chem. Phys., 116, 4221-4227 and
5612	!> Napari et al. (2002), J. Geophys. Res., 107(D19), AAC 6-1-ACC 6-6.
5613	!------------------------------------------------------------------------------!
5614	SUBROUTINE ternucl( pc_sa, pc_nh3, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, &
5615	pk_sa, pk_ocnv )
5616
5617	IMPLICIT NONE
5618
5619	REAL(wp) :: zlnj !< logarithm of nucleation rate
5620	REAL(wp) :: zlognh3 !< LOG( pc_nh3 )
5621	REAL(wp) :: zlogrh !< LOG( prh )
5622	REAL(wp) :: zlogsa !< LOG( pc_sa )
5623
5624	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia mixing ratio (ppt)
5625	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
5626	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
5627	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5628
5629	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
5630	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5631	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5632	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5633	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5634	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5635	!
5636	!-- 1) Checking that we are in the validity range of the parameterization.
5637	!-- Validity of parameterization : DO NOT REMOVE!
5638	IF ( ptemp < 240.0_wp .OR. ptemp > 300.0_wp ) THEN
5639	message_string = 'Invalid input value: ptemp'
5640	CALL message( 'salsa_mod: ternucl', 'PA0648', 1, 2, 0, 6, 0 )
5641	ENDIF
5642	IF ( prh < 0.05_wp .OR. prh > 0.95_wp ) THEN
5643	message_string = 'Invalid input value: prh'
5644	CALL message( 'salsa_mod: ternucl', 'PA0649', 1, 2, 0, 6, 0 )
5645	ENDIF
5646	IF ( pc_sa < 1.0E+4_wp .OR. pc_sa > 1.0E+9_wp ) THEN
5647	message_string = 'Invalid input value: pc_sa'
5648	CALL message( 'salsa_mod: ternucl', 'PA0650', 1, 2, 0, 6, 0 )
5649	ENDIF
5650	IF ( pc_nh3 < 0.1_wp .OR. pc_nh3 > 100.0_wp ) THEN
5651	message_string = 'Invalid input value: pc_nh3'
5652	CALL message( 'salsa_mod: ternucl', 'PA0651', 1, 2, 0, 6, 0 )
5653	ENDIF
5654
5655	zlognh3 = LOG( pc_nh3 )
5656	zlogrh = LOG( prh )
5657	zlogsa = LOG( pc_sa )
5658	!
5659	!-- 2) Nucleation rate (Eq. 7 in Napari et al., 2002: Parameterization of
5660	!-- ternary nucleation of sulfuric acid - ammonia - water.
5661	zlnj = - 84.7551114741543_wp + 0.3117595133628944_wp * prh + &
5662	1.640089605712946_wp * prh * ptemp - 0.003438516933381083_wp * prh * ptemp**2 - &
5663	0.00001097530402419113_wp * prh * ptemp**3 - 0.3552967070274677_wp / zlogsa - &
5664	( 0.06651397829765026_wp * prh ) / zlogsa - ( 33.84493989762471_wp * ptemp ) / zlogsa - &
5665	( 7.823815852128623_wp * prh * ptemp ) / zlogsa + &
5666	( 0.3453602302090915_wp * ptemp**2 ) / zlogsa + &
5667	( 0.01229375748100015_wp * prh * ptemp**2 ) / zlogsa - &
5668	( 0.000824007160514956_wp ptemp*3 ) / zlogsa + &
5669	( 0.00006185539100670249_wp * prh * ptemp**3 ) / zlogsa + &
5670	3.137345238574998_wp * zlogsa + 3.680240980277051_wp * prh * zlogsa - &
5671	0.7728606202085936_wp * ptemp * zlogsa - 0.204098217156962_wp * prh * ptemp * zlogsa + &
5672	0.005612037586790018_wp * ptemp*2 zlogsa + &
5673	0.001062588391907444_wp * prh * ptemp*2 zlogsa - &
5674	9.74575691760229E-6_wp * ptemp*3 zlogsa - &
5675	1.265595265137352E-6_wp * prh * ptemp*3 zlogsa + 19.03593713032114_wp * zlogsa**2 - &
5676	0.1709570721236754_wp * ptemp * zlogsa**2 + &
5677	0.000479808018162089_wp * ptemp*2 zlogsa**2 - &
5678	4.146989369117246E-7_wp * ptemp*3 zlogsa*2 + 1.076046750412183_wp zlognh3 + &
5679	0.6587399318567337_wp * prh * zlognh3 + 1.48932164750748_wp * ptemp * zlognh3 + &
5680	0.1905424394695381_wp * prh * ptemp * zlognh3 - &
5681	0.007960522921316015_wp * ptemp*2 zlognh3 - &
5682	0.001657184248661241_wp * prh * ptemp*2 zlognh3 + &
5683	7.612287245047392E-6_wp * ptemp*3 zlognh3 + &
5684	3.417436525881869E-6_wp * prh * ptemp*3 zlognh3 + &
5685	( 0.1655358260404061_wp * zlognh3 ) / zlogsa + &
5686	( 0.05301667612522116_wp * prh * zlognh3 ) / zlogsa + &
5687	( 3.26622914116752_wp * ptemp * zlognh3 ) / zlogsa - &
5688	( 1.988145079742164_wp * prh * ptemp * zlognh3 ) / zlogsa - &
5689	( 0.04897027401984064_wp * ptemp*2 zlognh3 ) / zlogsa + &
5690	( 0.01578269253599732_wp * prh * ptemp*2 zlognh3 ) / zlogsa + &
5691	( 0.0001469672236351303_wp * ptemp*3 zlognh3 ) / zlogsa - &
5692	( 0.00002935642836387197_wp * prh * ptemp*3 zlognh3 ) / zlogsa + &
5693	6.526451177887659_wp * zlogsa * zlognh3 - &
5694	0.2580021816722099_wp * ptemp * zlogsa * zlognh3 + &
5695	0.001434563104474292_wp * ptemp*2 zlogsa * zlognh3 - &
5696	2.020361939304473E-6_wp * ptemp*3 zlogsa * zlognh3 - &
5697	0.160335824596627_wp * zlogsa*2 zlognh3 + &
5698	0.00889880721460806_wp * ptemp * zlogsa*2 zlognh3 - &
5699	0.00005395139051155007_wp * ptemp*2 zlogsa*2 zlognh3 + &
5700	8.39521718689596E-8_wp * ptemp*3 zlogsa*2 zlognh3 + &
5701	6.091597586754857_wp * zlognh3*2 + 8.5786763679309_wp prh * zlognh3**2 - &
5702	1.253783854872055_wp * ptemp * zlognh3**2 - &
5703	0.1123577232346848_wp * prh * ptemp * zlognh3**2 + &
5704	0.00939835595219825_wp * ptemp*2 zlognh3**2 + &
5705	0.0004726256283031513_wp * prh * ptemp*2 zlognh3**2 - &
5706	0.00001749269360523252_wp * ptemp*3 zlognh3**2 - &
5707	6.483647863710339E-7_wp * prh * ptemp*3 zlognh3**2 + &
5708	( 0.7284285726576598_wp * zlognh3**2 ) / zlogsa + &
5709	( 3.647355600846383_wp * ptemp * zlognh3**2 ) / zlogsa - &
5710	( 0.02742195276078021_wp * ptemp*2 zlognh3**2 ) / zlogsa + &
5711	( 0.00004934777934047135_wp * ptemp*3 zlognh3**2 ) / zlogsa + &
5712	41.30162491567873_wp * zlogsa * zlognh3**2 - &
5713	0.357520416800604_wp * ptemp * zlogsa * zlognh3**2 + &
5714	0.000904383005178356_wp * ptemp*2 zlogsa * zlognh3**2 - &
5715	5.737876676408978E-7_wp * ptemp*3 zlogsa * zlognh3**2 - &
5716	2.327363918851818_wp * zlogsa*2 zlognh3**2 + &
5717	0.02346464261919324_wp * ptemp * zlogsa*2 zlognh3**2 - &
5718	0.000076518969516405_wp * ptemp*2 zlogsa*2 zlognh3**2 + &
5719	8.04589834836395E-8_wp * ptemp*3 zlogsa*2 zlognh3**2 - &
5720	0.02007379204248076_wp * zlogrh - 0.7521152446208771_wp * ptemp * zlogrh + &
5721	0.005258130151226247_wp * ptemp*2 zlogrh - &
5722	8.98037634284419E-6_wp * ptemp*3 zlogrh + &
5723	( 0.05993213079516759_wp * zlogrh ) / zlogsa + &
5724	( 5.964746463184173_wp * ptemp * zlogrh ) / zlogsa - &
5725	( 0.03624322255690942_wp * ptemp*2 zlogrh ) / zlogsa + &
5726	( 0.00004933369382462509_wp * ptemp*3 zlogrh ) / zlogsa - &
5727	0.7327310805365114_wp * zlognh3 * zlogrh - &
5728	0.01841792282958795_wp * ptemp * zlognh3 * zlogrh + &
5729	0.0001471855981005184_wp * ptemp*2 zlognh3 * zlogrh - &
5730	2.377113195631848E-7_wp * ptemp*3 zlognh3 * zlogrh
5731	pnuc_rate = EXP( zlnj ) ! (#/(cm3 s))
5732	!
5733	!-- Check validity of parametrization
5734	IF ( pnuc_rate < 1.0E-5_wp ) THEN
5735	pnuc_rate = 0.0_wp
5736	pd_crit = 1.0E-9_wp
5737	ELSEIF ( pnuc_rate > 1.0E6_wp ) THEN
5738	message_string = 'Invalid output value: nucleation rate > 10^6 1/cm3s'
5739	CALL message( 'salsa_mod: ternucl', 'PA0623', 1, 2, 0, 6, 0 )
5740	ENDIF
5741	pnuc_rate = pnuc_rate * 1.0E6_wp ! (#/(m3 s))
5742	!
5743	!-- 3) Number of H2SO4 molecules in a critical cluster (Eq. 9)
5744	pn_crit_sa = 38.16448247950508_wp + 0.7741058259731187_wp * zlnj + &
5745	0.002988789927230632_wp * zlnj*2 - 0.3576046920535017_wp ptemp - &
5746	0.003663583011953248_wp * zlnj * ptemp + 0.000855300153372776_wp * ptemp**2
5747	!
5748	!-- Kinetic limit: at least 2 H2SO4 molecules in a cluster
5749	pn_crit_sa = MAX( pn_crit_sa, 2.0E0_wp )
5750	!
5751	!-- 4) Size of the critical cluster in nm (Eq. 12)
5752	pd_crit = 0.1410271086638381_wp - 0.001226253898894878_wp * zlnj - &
5753	7.822111731550752E-6_wp * zlnj*2 - 0.001567273351921166_wp ptemp - &
5754	0.00003075996088273962_wp * zlnj * ptemp + 0.00001083754117202233_wp * ptemp**2
5755	pd_crit = pd_crit * 2.0E-9_wp ! Diameter in m
5756	!
5757	!-- 5) Organic compounds not involved when ternary nucleation assumed
5758	pn_crit_ocnv = 0.0_wp
5759	pk_sa = 1.0_wp
5760	pk_ocnv = 0.0_wp
5761
5762	END SUBROUTINE ternucl
5763
5764	!------------------------------------------------------------------------------!
5765	! Description:
5766	! ------------
5767	!> Function z_n_nuc_tayl is connected to the calculation of self-coagualtion of
5768	!> small particles. It calculates number of the particles in the size range
5769	!> [zdcrit,dx] using Taylor-expansion (please note that the expansion is not
5770	!> valid for certain rational numbers, e.g. -4/3 and -3/2)
5771	!------------------------------------------------------------------------------!
5772	FUNCTION z_n_nuc_tayl( d1, dx, zm_para, zjnuc_t, zeta, z_gr_tot )
5773
5774	IMPLICIT NONE
5775
5776	INTEGER(iwp) :: i !< running index
5777
5778	REAL(wp) :: d1 !< lower diameter limit
5779	REAL(wp) :: dx !< upper diameter limit
5780	REAL(wp) :: zjnuc_t !< initial nucleation rate (1/s)
5781	REAL(wp) :: zeta !< ratio of CS/GR (m) (condensation sink / growth rate)
5782	REAL(wp) :: term1 !<
5783	REAL(wp) :: term2 !<
5784	REAL(wp) :: term3 !<
5785	REAL(wp) :: term4 !<
5786	REAL(wp) :: term5 !<
5787	REAL(wp) :: z_n_nuc_tayl !< final nucleation rate (1/s)
5788	REAL(wp) :: z_gr_tot !< total growth rate (nm/h)
5789	REAL(wp) :: zm_para !< m parameter in Lehtinen et al. (2007), Eq. 6
5790
5791	z_n_nuc_tayl = 0.0_wp
5792
5793	DO i = 0, 29
5794	IF ( i == 0 .OR. i == 1 ) THEN
5795	term1 = 1.0_wp
5796	ELSE
5797	term1 = term1 * REAL( i, SELECTED_REAL_KIND(12,307) )
5798	END IF
5799	term2 = ( REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp ) * term1
5800	term3 = zeta**i
5801	term4 = term3 / term2
5802	term5 = REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp
5803	z_n_nuc_tayl = z_n_nuc_tayl + term4 * ( dxterm5 - d1term5 )
5804	ENDDO
5805	z_n_nuc_tayl = z_n_nuc_tayl * zjnuc_t * EXP( -zeta * ( d1**( zm_para + 1 ) ) ) / z_gr_tot
5806
5807	END FUNCTION z_n_nuc_tayl
5808
5809	!------------------------------------------------------------------------------!
5810	! Description:
5811	! ------------
5812	!> Calculates the condensation of water vapour on aerosol particles. Follows the
5813	!> analytical predictor method by Jacobson (2005).
5814	!> For equations, see Jacobson (2005), Fundamentals of atmospheric modelling
5815	!> (2nd edition).
5816	!------------------------------------------------------------------------------!
5817	SUBROUTINE gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
5818
5819	IMPLICIT NONE
5820
5821	INTEGER(iwp) :: ib !< loop index
5822	INTEGER(iwp) :: nstr !<
5823
5824	REAL(wp) :: adt !< internal timestep in this subroutine
5825	REAL(wp) :: rhoair !< air density (kg/m3)
5826	REAL(wp) :: ttot !< total time (s)
5827	REAL(wp) :: zact !< Water activity
5828	REAL(wp) :: zaelwc1 !< Current aerosol water content (kg/m3)
5829	REAL(wp) :: zaelwc2 !< New aerosol water content after equilibrium calculation (kg/m3)
5830	REAL(wp) :: zbeta !< Transitional correction factor
5831	REAL(wp) :: zcwc !< Current water vapour mole concentration in aerosols (mol/m3)
5832	REAL(wp) :: zcwint !< Current and new water vapour mole concentrations (mol/m3)
5833	REAL(wp) :: zcwn !< New water vapour mole concentration (mol/m3)
5834	REAL(wp) :: zcwtot !< Total water mole concentration (mol/m3)
5835	REAL(wp) :: zdfh2o !< molecular diffusion coefficient (cm2/s) for water
5836	REAL(wp) :: zhlp1 !< intermediate variable to calculate the mass transfer coefficient
5837	REAL(wp) :: zhlp2 !< intermediate variable to calculate the mass transfer coefficient
5838	REAL(wp) :: zhlp3 !< intermediate variable to calculate the mass transfer coefficient
5839	REAL(wp) :: zknud !< Knudsen number
5840	REAL(wp) :: zmfph2o !< mean free path of H2O gas molecule
5841	REAL(wp) :: zrh !< relative humidity [0-1]
5842	REAL(wp) :: zthcond !< thermal conductivity of air (W/m/K)
5843
5844	REAL(wp), DIMENSION(nbins_aerosol) :: zcwcae !< Current water mole concentrations
5845	REAL(wp), DIMENSION(nbins_aerosol) :: zcwintae !< Current and new aerosol water mole concentration
5846	REAL(wp), DIMENSION(nbins_aerosol) :: zcwnae !< New water mole concentration in aerosols
5847	REAL(wp), DIMENSION(nbins_aerosol) :: zcwsurfae !< Surface mole concentration
5848	REAL(wp), DIMENSION(nbins_aerosol) :: zkelvin !< Kelvin effect
5849	REAL(wp), DIMENSION(nbins_aerosol) :: zmtae !< Mass transfer coefficients
5850	REAL(wp), DIMENSION(nbins_aerosol) :: zwsatae !< Water saturation ratio above aerosols
5851
5852	REAL(wp), INTENT(in) :: ppres !< Air pressure (Pa)
5853	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
5854	REAL(wp), INTENT(in) :: ptemp !< Ambient temperature (K)
5855	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
5856
5857	REAL(wp), INTENT(inout) :: pcw !< Water vapour concentration (kg/m3)
5858
5859	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
5860	!
5861	!-- Relative humidity [0-1]
5862	zrh = pcw / pcs
5863	!
5864	!-- Calculate the condensation only for 2a/2b aerosol bins
5865	nstr = start_subrange_2a
5866	!
5867	!-- Save the current aerosol water content, 8 in paero is H2O
5868	zaelwc1 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5869	!
5870	!-- Equilibration:
5871	IF ( advect_particle_water ) THEN
5872	IF ( zrh < 0.98_wp .OR. .NOT. lscndh2oae ) THEN
5873	CALL equilibration( zrh, ptemp, paero, .TRUE. )
5874	ELSE
5875	CALL equilibration( zrh, ptemp, paero, .FALSE. )
5876	ENDIF
5877	ENDIF
5878	!
5879	!-- The new aerosol water content after equilibrium calculation
5880	zaelwc2 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5881	!
5882	!-- New water vapour mixing ratio (kg/m3)
5883	pcw = pcw - ( zaelwc2 - zaelwc1 ) * ppres * amdair / ( argas * ptemp )
5884	!
5885	!-- Initialise variables
5886	zcwsurfae(:) = 0.0_wp
5887	zhlp1 = 0.0_wp
5888	zhlp2 = 0.0_wp
5889	zhlp3 = 0.0_wp
5890	zmtae(:) = 0.0_wp
5891	zwsatae(:) = 0.0_wp
5892	!
5893	!-- Air:
5894	!-- Density (kg/m3)
5895	rhoair = amdair * ppres / ( argas * ptemp )
5896	!
5897	!-- Thermal conductivity of air
5898	zthcond = 0.023807_wp + 7.1128E-5_wp * ( ptemp - 273.16_wp )
5899	!
5900	!-- Water vapour:
5901	!-- Molecular diffusion coefficient (cm2/s) (eq.16.17)
5902	zdfh2o = ( 5.0_wp / ( 16.0_wp * avo * rhoair * 1.0E-3_wp * 3.11E-8_wp*2 ) ) SQRT( argas * &
5903	1.0E+7_wp * ptemp * amdair * 1.0E+3_wp * ( amh2o + amdair ) * 1.0E+3_wp / &
5904	( pi * amh2o * 2.0E+3_wp ) )
5905	zdfh2o = zdfh2o * 1.0E-4 ! Unit change to m^2/s
5906	!
5907	!-- Mean free path (eq. 15.25 & 16.29)
5908	zmfph2o = 3.0_wp * zdfh2o * SQRT( pi * amh2o / ( 8.0_wp * argas * ptemp ) )
5909	!
5910	!-- Kelvin effect (eq. 16.33)
5911	zkelvin(:) = EXP( 4.0_wp * surfw0 * amh2o / ( argas * ptemp * arhoh2o * paero(:)%dwet) )
5912
5913	DO ib = 1, nbins_aerosol
5914	IF ( paero(ib)%numc > nclim .AND. zrh > 0.98_wp ) THEN
5915	!
5916	!-- Water activity
5917	zact = acth2o( paero(ib) )
5918	!
5919	!-- Saturation mole concentration over flat surface. Limit the super-
5920	!-- saturation to max 1.01 for the mass transfer. Experimental!
5921	zcwsurfae(ib) = MAX( pcs, pcw / 1.01_wp ) * rhoair / amh2o
5922	!
5923	!-- Equilibrium saturation ratio
5924	zwsatae(ib) = zact * zkelvin(ib)
5925	!
5926	!-- Knudsen number (eq. 16.20)
5927	zknud = 2.0_wp * zmfph2o / paero(ib)%dwet
5928	!
5929	!-- Transitional correction factor (Fuks & Sutugin, 1971)
5930	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / &
5931	( 3.0_wp * massacc(ib) ) * ( zknud + zknud**2 ) )
5932	!
5933	!-- Mass transfer of H2O: Eq. 16.64 but here D^eff = zdfh2o * zbeta
5934	zhlp1 = paero(ib)%numc * 2.0_wp * pi * paero(ib)%dwet * zdfh2o * zbeta
5935	!
5936	!-- 1st term on the left side of the denominator in eq. 16.55
5937	zhlp2 = amh2o * zdfh2o * alv * zwsatae(ib) * zcwsurfae(ib) / ( zthcond * ptemp )
5938	!
5939	!-- 2nd term on the left side of the denominator in eq. 16.55
5940	zhlp3 = ( ( alv * amh2o ) / ( argas * ptemp ) ) - 1.0_wp
5941	!
5942	!-- Full eq. 16.64: Mass transfer coefficient (1/s)
5943	zmtae(ib) = zhlp1 / ( zhlp2 * zhlp3 + 1.0_wp )
5944	ENDIF
5945	ENDDO
5946	!
5947	!-- Current mole concentrations of water
5948	zcwc = pcw * rhoair / amh2o ! as vapour
5949	zcwcae(:) = paero(:)%volc(8) * arhoh2o / amh2o ! in aerosols
5950	zcwtot = zcwc + SUM( zcwcae ) ! total water concentration
5951	zcwnae(:) = 0.0_wp
5952	zcwintae(:) = zcwcae(:)
5953	!
5954	!-- Substepping loop
5955	zcwint = 0.0_wp
5956	ttot = 0.0_wp
5957	DO WHILE ( ttot < ptstep )
5958	adt = 2.0E-2_wp ! internal timestep
5959	!
5960	!-- New vapour concentration: (eq. 16.71)
5961	zhlp1 = zcwc + adt * ( SUM( zmtae(nstr:nbins_aerosol) * zwsatae(nstr:nbins_aerosol) * &
5962	zcwsurfae(nstr:nbins_aerosol) ) ) ! numerator
5963	zhlp2 = 1.0_wp + adt * ( SUM( zmtae(nstr:nbins_aerosol) ) ) ! denomin.
5964	zcwint = zhlp1 / zhlp2 ! new vapour concentration
5965	zcwint = MIN( zcwint, zcwtot )
5966	IF ( ANY( paero(:)%numc > nclim ) .AND. zrh > 0.98_wp ) THEN
5967	DO ib = nstr, nbins_aerosol
5968	zcwintae(ib) = zcwcae(ib) + MIN( MAX( adt * zmtae(ib) * ( zcwint - zwsatae(ib) * &
5969	zcwsurfae(ib) ), -0.02_wp * zcwcae(ib) ), &
5970	0.05_wp * zcwcae(ib) )
5971	zwsatae(ib) = acth2o( paero(ib), zcwintae(ib) ) * zkelvin(ib)
5972	ENDDO
5973	ENDIF
5974	zcwintae(nstr:nbins_aerosol) = MAX( zcwintae(nstr:nbins_aerosol), 0.0_wp )
5975	!
5976	!-- Update vapour concentration for consistency
5977	zcwint = zcwtot - SUM( zcwintae(1:nbins_aerosol) )
5978	!
5979	!-- Update "old" values for next cycle
5980	zcwcae = zcwintae
5981
5982	ttot = ttot + adt
5983
5984	ENDDO ! ADT
5985
5986	zcwn = zcwint
5987	zcwnae(:) = zcwintae(:)
5988	pcw = zcwn * amh2o / rhoair
5989	paero(:)%volc(8) = MAX( 0.0_wp, zcwnae(:) * amh2o / arhoh2o )
5990
5991	END SUBROUTINE gpparth2o
5992
5993	!------------------------------------------------------------------------------!
5994	! Description:
5995	! ------------
5996	!> Calculates the activity coefficient of liquid water
5997	!------------------------------------------------------------------------------!
5998	REAL(wp) FUNCTION acth2o( ppart, pcw )
5999
6000	IMPLICIT NONE
6001
6002	REAL(wp) :: zns !< molar concentration of solutes (mol/m3)
6003	REAL(wp) :: znw !< molar concentration of water (mol/m3)
6004
6005	REAL(wp), INTENT(in), OPTIONAL :: pcw !< molar concentration of water (mol/m3)
6006
6007	TYPE(t_section), INTENT(in) :: ppart !< Aerosol properties of a bin
6008
6009	zns = ( 3.0_wp * ( ppart%volc(1) * arhoh2so4 / amh2so4 ) + ( ppart%volc(2) * arhooc / amoc ) + &
6010	2.0_wp * ( ppart%volc(5) * arhoss / amss ) + ( ppart%volc(6) * arhohno3 / amhno3 ) + &
6011	( ppart%volc(7) * arhonh3 / amnh3 ) )
6012
6013	IF ( PRESENT(pcw) ) THEN
6014	znw = pcw
6015	ELSE
6016	znw = ppart%volc(8) * arhoh2o / amh2o
6017	ENDIF
6018	!
6019	!-- Activity = partial pressure of water vapour / sat. vapour pressure of water over a liquid surface
6020	!-- = molality * activity coefficient (Jacobson, 2005: eq. 17.20-21)
6021	!-- Assume activity coefficient of 1 for water
6022	acth2o = MAX( 0.1_wp, znw / MAX( EPSILON( 1.0_wp ),( znw + zns ) ) )
6023
6024	END FUNCTION acth2o
6025
6026	!------------------------------------------------------------------------------!
6027	! Description:
6028	! ------------
6029	!> Calculates the dissolutional growth of particles (i.e. gas transfers to a
6030	!> particle surface and dissolves in liquid water on the surface). Treated here
6031	!> as a non-equilibrium (time-dependent) process. Gases: HNO3 and NH3
6032	!> (Chapter 17.14 in Jacobson, 2005).
6033	!
6034	!> Called from subroutine condensation.
6035	!> Coded by:
6036	!> Harri Kokkola (FMI)
6037	!------------------------------------------------------------------------------!
6038	SUBROUTINE gpparthno3( ppres, ptemp, paero, pghno3, pgnh3, pcw, pcs, pbeta, ptstep )
6039
6040	IMPLICIT NONE
6041
6042	INTEGER(iwp) :: ib !< loop index
6043
6044	REAL(wp) :: adt !< timestep
6045	REAL(wp) :: zc_nh3_c !< Current NH3 gas concentration
6046	REAL(wp) :: zc_nh3_int !< Intermediate NH3 gas concentration
6047	REAL(wp) :: zc_nh3_n !< New NH3 gas concentration
6048	REAL(wp) :: zc_nh3_tot !< Total NH3 concentration
6049	REAL(wp) :: zc_hno3_c !< Current HNO3 gas concentration
6050	REAL(wp) :: zc_hno3_int !< Intermediate HNO3 gas concentration
6051	REAL(wp) :: zc_hno3_n !< New HNO3 gas concentration
6052	REAL(wp) :: zc_hno3_tot !< Total HNO3 concentration
6053	REAL(wp) :: zdfvap !< Diffusion coefficient for vapors
6054	REAL(wp) :: zhlp1 !< intermediate variable
6055	REAL(wp) :: zhlp2 !< intermediate variable
6056	REAL(wp) :: zrh !< relative humidity
6057
6058	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
6059	REAL(wp), INTENT(in) :: pcs !< water vapour saturation
6060	!< concentration (kg/m3)
6061	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6062	REAL(wp), INTENT(in) :: ptstep !< time step (s)
6063
6064	REAL(wp), INTENT(inout) :: pghno3 !< nitric acid concentration (#/m3)
6065	REAL(wp), INTENT(inout) :: pgnh3 !< ammonia conc. (#/m3)
6066	REAL(wp), INTENT(inout) :: pcw !< water vapour concentration (kg/m3)
6067
6068	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hno3_ae !< Activity coefficients for HNO3
6069	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hhso4_ae !< Activity coefficients for HHSO4
6070	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh3_ae !< Activity coefficients for NH3
6071	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh4hso2_ae !< Activity coefficients for NH4HSO2
6072	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_hno3_eq_ae !< Equilibrium gas concentration: HNO3
6073	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_nh3_eq_ae !< Equilibrium gas concentration: NH3
6074	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_int_ae !< Intermediate HNO3 aerosol concentration
6075	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_c_ae !< Current HNO3 in aerosols
6076	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_n_ae !< New HNO3 in aerosols
6077	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_int_ae !< Intermediate NH3 aerosol concentration
6078	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_c_ae !< Current NH3 in aerosols
6079	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_n_ae !< New NH3 in aerosols
6080	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_hno3_ae !< Kelvin effect for HNO3
6081	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_nh3_ae !< Kelvin effects for NH3
6082	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_hno3_ae !< Mass transfer coefficients for HNO3
6083	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_nh3_ae !< Mass transfer coefficients for NH3
6084	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_hno3_ae !< HNO3 saturation ratio over a surface
6085	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_nh3_ae !< NH3 saturation ratio over a surface
6086
6087	REAL(wp), DIMENSION(nbins_aerosol,maxspec) :: zion_mols !< Ion molalities from pdfite aerosols
6088
6089	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pbeta !< transitional correction factor for
6090
6091	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
6092	!
6093	!-- Initialise:
6094	adt = ptstep
6095	zac_hhso4_ae = 0.0_wp
6096	zac_nh3_ae = 0.0_wp
6097	zac_nh4hso2_ae = 0.0_wp
6098	zac_hno3_ae = 0.0_wp
6099	zcg_nh3_eq_ae = 0.0_wp
6100	zcg_hno3_eq_ae = 0.0_wp
6101	zion_mols = 0.0_wp
6102	zsat_nh3_ae = 1.0_wp
6103	zsat_hno3_ae = 1.0_wp
6104	!
6105	!-- Diffusion coefficient (m2/s)
6106	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
6107	!
6108	!-- Kelvin effects (Jacobson (2005), eq. 16.33)
6109	zkel_hno3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvhno3 / &
6110	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
6111	zkel_nh3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvnh3 / &
6112	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
6113	!
6114	!-- Current vapour mole concentrations (mol/m3)
6115	zc_hno3_c = pghno3 / avo ! HNO3
6116	zc_nh3_c = pgnh3 / avo ! NH3
6117	!
6118	!-- Current particle mole concentrations (mol/m3)
6119	zc_hno3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(6) * arhohno3 / amhno3
6120	zc_nh3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(7) * arhonh3 / amnh3
6121	!
6122	!-- Total mole concentrations: gas and particle phase
6123	zc_hno3_tot = zc_hno3_c + SUM( zc_hno3_c_ae(1:nbins_aerosol) )
6124	zc_nh3_tot = zc_nh3_c + SUM( zc_nh3_c_ae(1:nbins_aerosol) )
6125	!
6126	!-- Relative humidity [0-1]
6127	zrh = pcw / pcs
6128	!
6129	!-- Mass transfer coefficients (Jacobson, Eq. 16.64)
6130	zmt_hno3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
6131	zmt_nh3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
6132
6133	!
6134	!-- Get the equilibrium concentrations above aerosols
6135	CALL nitrate_ammonium_equilibrium( zrh, ptemp, paero, zcg_hno3_eq_ae, zcg_nh3_eq_ae, &
6136	zac_hno3_ae, zac_nh3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
6137	zion_mols )
6138	!
6139	!-- Calculate NH3 and HNO3 saturation ratios for aerosols
6140	CALL nitrate_ammonium_saturation( ptemp, paero, zac_hno3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
6141	zcg_hno3_eq_ae, zc_hno3_c_ae, zc_nh3_c_ae, zkel_hno3_ae, &
6142	zkel_nh3_ae, zsat_hno3_ae, zsat_nh3_ae )
6143	!
6144	!-- Intermediate gas concentrations of HNO3 and NH3
6145	zhlp1 = SUM( zc_hno3_c_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
6146	zhlp2 = SUM( zmt_hno3_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
6147	zc_hno3_int = ( zc_hno3_tot - zhlp1 ) / ( 1.0_wp + adt * zhlp2 )
6148
6149	zhlp1 = SUM( zc_nh3_c_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
6150	zhlp2 = SUM( zmt_nh3_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
6151	zc_nh3_int = ( zc_nh3_tot - zhlp1 )/( 1.0_wp + adt * zhlp2 )
6152
6153	zc_hno3_int = MIN( zc_hno3_int, zc_hno3_tot )
6154	zc_nh3_int = MIN( zc_nh3_int, zc_nh3_tot )
6155	!
6156	!-- Calculate the new concentration on aerosol particles
6157	zc_hno3_int_ae = zc_hno3_c_ae
6158	zc_nh3_int_ae = zc_nh3_c_ae
6159	DO ib = 1, nbins_aerosol
6160	zc_hno3_int_ae(ib) = ( zc_hno3_c_ae(ib) + adt * zmt_hno3_ae(ib) * zc_hno3_int ) / &
6161	( 1.0_wp + adt * zmt_hno3_ae(ib) * zsat_hno3_ae(ib) )
6162	zc_nh3_int_ae(ib) = ( zc_nh3_c_ae(ib) + adt * zmt_nh3_ae(ib) * zc_nh3_int ) / &
6163	( 1.0_wp + adt * zmt_nh3_ae(ib) * zsat_nh3_ae(ib) )
6164	ENDDO
6165
6166	zc_hno3_int_ae(:) = MAX( zc_hno3_int_ae(:), 0.0_wp )
6167	zc_nh3_int_ae(:) = MAX( zc_nh3_int_ae(:), 0.0_wp )
6168	!
6169	!-- Final molar gas concentration and molar particle concentration of HNO3
6170	zc_hno3_n = zc_hno3_int
6171	zc_hno3_n_ae = zc_hno3_int_ae
6172	!
6173	!-- Final molar gas concentration and molar particle concentration of NH3
6174	zc_nh3_n = zc_nh3_int
6175	zc_nh3_n_ae = zc_nh3_int_ae
6176	!
6177	!-- Model timestep reached - update the gas concentrations
6178	pghno3 = zc_hno3_n * avo
6179	pgnh3 = zc_nh3_n * avo
6180	!
6181	!-- Update the particle concentrations
6182	DO ib = start_subrange_1a, end_subrange_2b
6183	paero(ib)%volc(6) = zc_hno3_n_ae(ib) * amhno3 / arhohno3
6184	paero(ib)%volc(7) = zc_nh3_n_ae(ib) * amnh3 / arhonh3
6185	ENDDO
6186
6187	END SUBROUTINE gpparthno3
6188	!------------------------------------------------------------------------------!
6189	! Description:
6190	! ------------
6191	!> Calculate the equilibrium concentrations above aerosols (reference?)
6192	!------------------------------------------------------------------------------!
6193	SUBROUTINE nitrate_ammonium_equilibrium( prh, ptemp, ppart, pcg_hno3_eq, pcg_nh3_eq, pgamma_hno3, &
6194	pgamma_nh4, pgamma_nh4hso2, pgamma_hhso4, pmols )
6195
6196	IMPLICIT NONE
6197
6198	INTEGER(iwp) :: ib !< loop index: aerosol bins
6199
6200	REAL(wp) :: zhlp !< intermediate variable
6201	REAL(wp) :: zp_hcl !< Equilibrium vapor pressures (Pa) of HCl
6202	REAL(wp) :: zp_hno3 !< Equilibrium vapor pressures (Pa) of HNO3
6203	REAL(wp) :: zp_nh3 !< Equilibrium vapor pressures (Pa) of NH3
6204	REAL(wp) :: zwatertotal !< Total water in particles (mol/m3)
6205
6206	REAL(wp), INTENT(in) :: prh !< relative humidity
6207	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6208
6209	REAL(wp), DIMENSION(maxspec) :: zgammas !< Activity coefficients
6210	REAL(wp), DIMENSION(maxspec) :: zions !< molar concentration of ion (mol/m3)
6211
6212	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_nh3_eq !< equilibrium molar
6213	!< concentration: of NH3
6214	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_hno3_eq !< of HNO3
6215	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hhso4 !< activity coeff. of HHSO4
6216	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4 !< activity coeff. of NH3
6217	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4hso2 !< activity coeff. of NH4HSO2
6218	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hno3 !< activity coeff. of HNO3
6219
6220	REAL(wp), DIMENSION(nbins_aerosol,maxspec), INTENT(inout) :: pmols !< Ion molalities
6221
6222	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
6223
6224	zgammas = 0.0_wp
6225	zhlp = 0.0_wp
6226	zions = 0.0_wp
6227	zp_hcl = 0.0_wp
6228	zp_hno3 = 0.0_wp
6229	zp_nh3 = 0.0_wp
6230	zwatertotal = 0.0_wp
6231
6232	DO ib = 1, nbins_aerosol
6233
6234	IF ( ppart(ib)%numc < nclim ) CYCLE
6235	!
6236	!-- Ion molar concentrations: 2*H2SO4 + CL + NO3 - Na - NH4
6237	zhlp = 2.0_wp * ppart(ib)%volc(1) * arhoh2so4 / amh2so4 + ppart(ib)%volc(5) * arhoss / amss &
6238	+ ppart(ib)%volc(6) * arhohno3 / amhno3 - ppart(ib)%volc(5) * arhoss / amss - &
6239	ppart(ib)%volc(7) * arhonh3 / amnh3
6240
6241	zions(1) = zhlp ! H+
6242	zions(2) = ppart(ib)%volc(7) * arhonh3 / amnh3 ! NH4+
6243	zions(3) = ppart(ib)%volc(5) * arhoss / amss ! Na+
6244	zions(4) = ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ! SO4(2-)
6245	zions(5) = 0.0_wp ! HSO4-
6246	zions(6) = ppart(ib)%volc(6) * arhohno3 / amhno3 ! NO3-
6247	zions(7) = ppart(ib)%volc(5) * arhoss / amss ! Cl-
6248
6249	zwatertotal = ppart(ib)%volc(8) * arhoh2o / amh2o
6250	IF ( zwatertotal > 1.0E-30_wp ) THEN
6251	CALL inorganic_pdfite( prh, ptemp, zions, zwatertotal, zp_hno3, zp_hcl, zp_nh3, zgammas, &
6252	pmols(ib,:) )
6253	ENDIF
6254	!
6255	!-- Activity coefficients
6256	pgamma_hno3(ib) = zgammas(1) ! HNO3
6257	pgamma_nh4(ib) = zgammas(3) ! NH3
6258	pgamma_nh4hso2(ib) = zgammas(6) ! NH4HSO2
6259	pgamma_hhso4(ib) = zgammas(7) ! HHSO4
6260	!
6261	!-- Equilibrium molar concentrations (mol/m3) from equlibrium pressures (Pa)
6262	pcg_hno3_eq(ib) = zp_hno3 / ( argas * ptemp )
6263	pcg_nh3_eq(ib) = zp_nh3 / ( argas * ptemp )
6264
6265	ENDDO
6266
6267	END SUBROUTINE nitrate_ammonium_equilibrium
6268
6269	!------------------------------------------------------------------------------!
6270	! Description:
6271	! ------------
6272	!> Calculate saturation ratios of NH4 and HNO3 for aerosols
6273	!------------------------------------------------------------------------------!
6274	SUBROUTINE nitrate_ammonium_saturation( ptemp, ppart, pachno3, pacnh4hso2, pachhso4, pchno3eq, &
6275	pchno3, pc_nh3, pkelhno3, pkelnh3, psathno3, psatnh3 )
6276
6277	IMPLICIT NONE
6278
6279	INTEGER(iwp) :: ib !< running index for aerosol bins
6280
6281	REAL(wp) :: k_ll_h2o !< equilibrium constants of equilibrium reactions:
6282	!< H2O(aq) <--> H+ + OH- (mol/kg)
6283	REAL(wp) :: k_ll_nh3 !< NH3(aq) + H2O(aq) <--> NH4+ + OH- (mol/kg)
6284	REAL(wp) :: k_gl_nh3 !< NH3(g) <--> NH3(aq) (mol/kg/atm)
6285	REAL(wp) :: k_gl_hno3 !< HNO3(g) <--> H+ + NO3- (mol2/kg2/atm)
6286	REAL(wp) :: zmol_no3 !< molality of NO3- (mol/kg)
6287	REAL(wp) :: zmol_h !< molality of H+ (mol/kg)
6288	REAL(wp) :: zmol_so4 !< molality of SO4(2-) (mol/kg)
6289	REAL(wp) :: zmol_cl !< molality of Cl- (mol/kg)
6290	REAL(wp) :: zmol_nh4 !< molality of NH4+ (mol/kg)
6291	REAL(wp) :: zmol_na !< molality of Na+ (mol/kg)
6292	REAL(wp) :: zhlp1 !< intermediate variable
6293	REAL(wp) :: zhlp2 !< intermediate variable
6294	REAL(wp) :: zhlp3 !< intermediate variable
6295	REAL(wp) :: zxi !< particle mole concentration ratio: (NH3+SS)/H2SO4
6296	REAL(wp) :: zt0 !< reference temp
6297
6298	REAL(wp), PARAMETER :: a1 = -22.52_wp !<
6299	REAL(wp), PARAMETER :: a2 = -1.50_wp !<
6300	REAL(wp), PARAMETER :: a3 = 13.79_wp !<
6301	REAL(wp), PARAMETER :: a4 = 29.17_wp !<
6302	REAL(wp), PARAMETER :: b1 = 26.92_wp !<
6303	REAL(wp), PARAMETER :: b2 = 26.92_wp !<
6304	REAL(wp), PARAMETER :: b3 = -5.39_wp !<
6305	REAL(wp), PARAMETER :: b4 = 16.84_wp !<
6306	REAL(wp), PARAMETER :: K01 = 1.01E-14_wp !<
6307	REAL(wp), PARAMETER :: K02 = 1.81E-5_wp !<
6308	REAL(wp), PARAMETER :: K03 = 57.64_wp !<
6309	REAL(wp), PARAMETER :: K04 = 2.51E+6_wp !<
6310
6311	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6312
6313	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachhso4 !< activity coeff. of HHSO4
6314	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pacnh4hso2 !< activity coeff. of NH4HSO2
6315	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachno3 !< activity coeff. of HNO3
6316	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3eq !< eq. surface concentration: HNO3
6317	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3 !< current particle mole
6318	!< concentration of HNO3 (mol/m3)
6319	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pc_nh3 !< of NH3 (mol/m3)
6320	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelhno3 !< Kelvin effect for HNO3
6321	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelnh3 !< Kelvin effect for NH3
6322
6323	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psathno3 !< saturation ratio of HNO3
6324	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psatnh3 !< saturation ratio of NH3
6325
6326	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
6327
6328	zmol_cl = 0.0_wp
6329	zmol_h = 0.0_wp
6330	zmol_na = 0.0_wp
6331	zmol_nh4 = 0.0_wp
6332	zmol_no3 = 0.0_wp
6333	zmol_so4 = 0.0_wp
6334	zt0 = 298.15_wp
6335	zxi = 0.0_wp
6336	!
6337	!-- Calculates equlibrium rate constants based on Table B.7 in Jacobson (2005):
6338	!-- K^ll_H20, K^ll_NH3, K^gl_NH3, K^gl_HNO3
6339	zhlp1 = zt0 / ptemp
6340	zhlp2 = zhlp1 - 1.0_wp
6341	zhlp3 = 1.0_wp + LOG( zhlp1 ) - zhlp1
6342
6343	k_ll_h2o = K01 * EXP( a1 * zhlp2 + b1 * zhlp3 )
6344	k_ll_nh3 = K02 * EXP( a2 * zhlp2 + b2 * zhlp3 )
6345	k_gl_nh3 = K03 * EXP( a3 * zhlp2 + b3 * zhlp3 )
6346	k_gl_hno3 = K04 * EXP( a4 * zhlp2 + b4 * zhlp3 )
6347
6348	DO ib = 1, nbins_aerosol
6349
6350	IF ( ppart(ib)%numc > nclim .AND. ppart(ib)%volc(8) > 1.0E-30_wp ) THEN
6351	!
6352	!-- Molality of H+ and NO3-
6353	zhlp1 = pc_nh3(ib) * amnh3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * arhooc &
6354	+ ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6355	zmol_no3 = pchno3(ib) / zhlp1 !< mol/kg
6356	!
6357	!-- Particle mole concentration ratio: (NH3+SS)/H2SO4
6358	zxi = ( pc_nh3(ib) + ppart(ib)%volc(5) * arhoss / amss ) / ( ppart(ib)%volc(1) * &
6359	arhoh2so4 / amh2so4 )
6360
6361	IF ( zxi <= 2.0_wp ) THEN
6362	!
6363	!-- Molality of SO4(2-)
6364	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
6365	ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6366	zmol_so4 = ( ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ) / zhlp1
6367	!
6368	!-- Molality of Cl-
6369	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
6370	ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(8) * arhoh2o
6371	zmol_cl = ( ppart(ib)%volc(5) * arhoss / amss ) / zhlp1
6372	!
6373	!-- Molality of NH4+
6374	zhlp1 = pchno3(ib) * amhno3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * &
6375	arhooc + ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6376	zmol_nh4 = pc_nh3(ib) / zhlp1
6377	!
6378	!-- Molality of Na+
6379	zmol_na = zmol_cl
6380	!
6381	!-- Molality of H+
6382	zmol_h = 2.0_wp * zmol_so4 + zmol_no3 + zmol_cl - ( zmol_nh4 + zmol_na )
6383
6384	ELSE
6385
6386	zhlp2 = pkelhno3(ib) * zmol_no3 * pachno3(ib)**2
6387
6388	IF ( zhlp2 > 1.0E-30_wp ) THEN
6389	zmol_h = k_gl_hno3 * pchno3eq(ib) / zhlp2 ! Eq. 17.38
6390	ELSE
6391	zmol_h = 0.0_wp
6392	ENDIF
6393
6394	ENDIF
6395
6396	zhlp1 = ppart(ib)%volc(8) * arhoh2o * argas * ptemp * k_gl_hno3
6397	!
6398	!-- Saturation ratio for NH3 and for HNO3
6399	IF ( zmol_h > 0.0_wp ) THEN
6400	zhlp2 = pkelnh3(ib) / ( zhlp1 * zmol_h )
6401	zhlp3 = k_ll_h2o / ( k_ll_nh3 + k_gl_nh3 )
6402	psatnh3(ib) = zhlp2 * ( ( pacnh4hso2(ib) / pachhso4(ib) )*2 ) zhlp3
6403	psathno3(ib) = ( pkelhno3(ib) * zmol_h * pachno3(ib)**2 ) / zhlp1
6404	ELSE
6405	psatnh3(ib) = 1.0_wp
6406	psathno3(ib) = 1.0_wp
6407	ENDIF
6408	ELSE
6409	psatnh3(ib) = 1.0_wp
6410	psathno3(ib) = 1.0_wp
6411	ENDIF
6412
6413	ENDDO
6414
6415	END SUBROUTINE nitrate_ammonium_saturation
6416
6417	!------------------------------------------------------------------------------!
6418	! Description:
6419	! ------------
6420	!> Prototype module for calculating the water content of a mixed inorganic/
6421	!> organic particle + equilibrium water vapour pressure above the solution
6422	!> (HNO3, HCL, NH3 and representative organic compounds. Efficient calculation
6423	!> of the partitioning of species between gas and aerosol. Based in a chamber
6424	!> study.
6425	!
6426	!> Written by Dave Topping. Pure organic component properties predicted by Mark
6427	!> Barley based on VOCs predicted in MCM simulations performed by Mike Jenkin.
6428	!> Delivered by Gordon McFiggans as Deliverable D22 from WP1.4 in the EU FP6
6429	!> EUCAARI Integrated Project.
6430	!
6431	!> REFERENCES
6432	!> Clegg et al. (1998) A Thermodynamic Model of the System H+-NH4+-Na+-SO42- -NO3--Cl--H2O at
6433	!> 298.15 K, J. Phys. Chem., 102A, 2155-2171.
6434	!> Clegg et al. (2001) Thermodynamic modelling of aqueous aerosols containing electrolytes and
6435	!> dissolved organic compounds. Journal of Aerosol Science 2001;32(6):713-738.
6436	!> Topping et al. (2005a) A curved multi-component aerosol hygroscopicity model framework: Part 1 -
6437	!> Inorganic compounds. Atmospheric Chemistry and Physics 2005;5:1205-1222.
6438	!> Topping et al. (2005b) A curved multi-component aerosol hygroscopicity model framework: Part 2 -
6439	!> Including organic compounds. Atmospheric Chemistry and Physics 2005;5:1223-1242.
6440	!> Wagman et al. (1982). The NBS tables of chemical thermodynamic properties: selected values for
6441	!> inorganic and Câ and Câ organic substances in SI units (book)
6442	!> Zaveri et al. (2005). A new method for multicomponent activity coefficients of electrolytes in
6443	!> aqueous atmospheric aerosols, JGR, 110, D02201, 2005.
6444	!
6445	!> Queries concerning the use of this code through Gordon McFiggans,
6446	!> g.mcfiggans@manchester.ac.uk,
6447	!> Ownership: D. Topping, Centre for Atmospheric Sciences, University of
6448	!> Manchester, 2007
6449	!
6450	!> Rewritten to PALM by Mona Kurppa, UHel, 2017
6451	!------------------------------------------------------------------------------!
6452	SUBROUTINE inorganic_pdfite( rh, temp, ions, water_total, press_hno3, press_hcl, press_nh3, &
6453	gamma_out, mols_out )
6454
6455	IMPLICIT NONE
6456
6457	INTEGER(iwp) :: binary_case
6458	INTEGER(iwp) :: full_complexity
6459
6460	REAL(wp) :: a !< auxiliary variable
6461	REAL(wp) :: act_product !< ionic activity coef. product:
6462	!< = (gamma_h2so43d0) / gamma_hhso42d0)
6463	REAL(wp) :: ammonium_chloride !<
6464	REAL(wp) :: ammonium_chloride_eq_frac !<
6465	REAL(wp) :: ammonium_nitrate !<
6466	REAL(wp) :: ammonium_nitrate_eq_frac !<
6467	REAL(wp) :: ammonium_sulphate !<
6468	REAL(wp) :: ammonium_sulphate_eq_frac !<
6469	REAL(wp) :: b !< auxiliary variable
6470	REAL(wp) :: binary_h2so4 !< binary H2SO4 activity coeff.
6471	REAL(wp) :: binary_hcl !< binary HCL activity coeff.
6472	REAL(wp) :: binary_hhso4 !< binary HHSO4 activity coeff.
6473	REAL(wp) :: binary_hno3 !< binary HNO3 activity coeff.
6474	REAL(wp) :: binary_nh4hso4 !< binary NH4HSO4 activity coeff.
6475	REAL(wp) :: c !< auxiliary variable
6476	REAL(wp) :: charge_sum !< sum of ionic charges
6477	REAL(wp) :: gamma_h2so4 !< activity coefficient
6478	REAL(wp) :: gamma_hcl !< activity coefficient
6479	REAL(wp) :: gamma_hhso4 !< activity coeffient
6480	REAL(wp) :: gamma_hno3 !< activity coefficient
6481	REAL(wp) :: gamma_nh3 !< activity coefficient
6482	REAL(wp) :: gamma_nh4hso4 !< activity coefficient
6483	REAL(wp) :: h_out !<
6484	REAL(wp) :: h_real !< new hydrogen ion conc.
6485	REAL(wp) :: h2so4_hcl !< contribution of H2SO4
6486	REAL(wp) :: h2so4_hno3 !< contribution of H2SO4
6487	REAL(wp) :: h2so4_nh3 !< contribution of H2SO4
6488	REAL(wp) :: h2so4_nh4hso4 !< contribution of H2SO4
6489	REAL(wp) :: hcl_h2so4 !< contribution of HCL
6490	REAL(wp) :: hcl_hhso4 !< contribution of HCL
6491	REAL(wp) :: hcl_hno3 !< contribution of HCL
6492	REAL(wp) :: hcl_nh4hso4 !< contribution of HCL
6493	REAL(wp) :: henrys_temp_dep !< temperature dependence of Henry's Law
6494	REAL(wp) :: hno3_h2so4 !< contribution of HNO3
6495	REAL(wp) :: hno3_hcl !< contribution of HNO3
6496	REAL(wp) :: hno3_hhso4 !< contribution of HNO3
6497	REAL(wp) :: hno3_nh3 !< contribution of HNO3
6498	REAL(wp) :: hno3_nh4hso4 !< contribution of HNO3
6499	REAL(wp) :: hso4_out !<
6500	REAL(wp) :: hso4_real !< new bisulphate ion conc.
6501	REAL(wp) :: hydrochloric_acid !<
6502	REAL(wp) :: hydrochloric_acid_eq_frac !<
6503	REAL(wp) :: k_h !< equilibrium constant for H+
6504	REAL(wp) :: k_hcl !< equilibrium constant of HCL
6505	REAL(wp) :: k_hno3 !< equilibrium constant of HNO3
6506	REAL(wp) :: k_nh4 !< equilibrium constant for NH4+
6507	REAL(wp) :: k_h2o !< equil. const. for water_surface
6508	REAL(wp) :: ln_h2so4_act !< gamma_h2so4 = EXP(ln_h2so4_act)
6509	REAL(wp) :: ln_HCL_act !< gamma_hcl = EXP( ln_HCL_act )
6510	REAL(wp) :: ln_hhso4_act !< gamma_hhso4 = EXP(ln_hhso4_act)
6511	REAL(wp) :: ln_hno3_act !< gamma_hno3 = EXP( ln_hno3_act )
6512	REAL(wp) :: ln_nh4hso4_act !< gamma_nh4hso4 = EXP( ln_nh4hso4_act )
6513	REAL(wp) :: molality_ratio_nh3 !< molality ratio of NH3 (NH4+ and H+)
6514	REAL(wp) :: na2so4_h2so4 !< contribution of Na2SO4
6515	REAL(wp) :: na2so4_hcl !< contribution of Na2SO4
6516	REAL(wp) :: na2so4_hhso4 !< contribution of Na2SO4
6517	REAL(wp) :: na2so4_hno3 !< contribution of Na2SO4
6518	REAL(wp) :: na2so4_nh3 !< contribution of Na2SO4
6519	REAL(wp) :: na2so4_nh4hso4 !< contribution of Na2SO4
6520	REAL(wp) :: nacl_h2so4 !< contribution of NaCl
6521	REAL(wp) :: nacl_hcl !< contribution of NaCl
6522	REAL(wp) :: nacl_hhso4 !< contribution of NaCl
6523	REAL(wp) :: nacl_hno3 !< contribution of NaCl
6524	REAL(wp) :: nacl_nh3 !< contribution of NaCl
6525	REAL(wp) :: nacl_nh4hso4 !< contribution of NaCl
6526	REAL(wp) :: nano3_h2so4 !< contribution of NaNO3
6527	REAL(wp) :: nano3_hcl !< contribution of NaNO3
6528	REAL(wp) :: nano3_hhso4 !< contribution of NaNO3
6529	REAL(wp) :: nano3_hno3 !< contribution of NaNO3
6530	REAL(wp) :: nano3_nh3 !< contribution of NaNO3
6531	REAL(wp) :: nano3_nh4hso4 !< contribution of NaNO3
6532	REAL(wp) :: nh42so4_h2so4 !< contribution of NH42SO4
6533	REAL(wp) :: nh42so4_hcl !< contribution of NH42SO4
6534	REAL(wp) :: nh42so4_hhso4 !< contribution of NH42SO4
6535	REAL(wp) :: nh42so4_hno3 !< contribution of NH42SO4
6536	REAL(wp) :: nh42so4_nh3 !< contribution of NH42SO4
6537	REAL(wp) :: nh42so4_nh4hso4 !< contribution of NH42SO4
6538	REAL(wp) :: nh4cl_h2so4 !< contribution of NH4Cl
6539	REAL(wp) :: nh4cl_hcl !< contribution of NH4Cl
6540	REAL(wp) :: nh4cl_hhso4 !< contribution of NH4Cl
6541	REAL(wp) :: nh4cl_hno3 !< contribution of NH4Cl
6542	REAL(wp) :: nh4cl_nh3 !< contribution of NH4Cl
6543	REAL(wp) :: nh4cl_nh4hso4 !< contribution of NH4Cl
6544	REAL(wp) :: nh4no3_h2so4 !< contribution of NH4NO3
6545	REAL(wp) :: nh4no3_hcl !< contribution of NH4NO3
6546	REAL(wp) :: nh4no3_hhso4 !< contribution of NH4NO3
6547	REAL(wp) :: nh4no3_hno3 !< contribution of NH4NO3
6548	REAL(wp) :: nh4no3_nh3 !< contribution of NH4NO3
6549	REAL(wp) :: nh4no3_nh4hso4 !< contribution of NH4NO3
6550	REAL(wp) :: nitric_acid !<
6551	REAL(wp) :: nitric_acid_eq_frac !< Equivalent fractions
6552	REAL(wp) :: press_hcl !< partial pressure of HCL
6553	REAL(wp) :: press_hno3 !< partial pressure of HNO3
6554	REAL(wp) :: press_nh3 !< partial pressure of NH3
6555	REAL(wp) :: rh !< relative humidity [0-1]
6556	REAL(wp) :: root1 !< auxiliary variable
6557	REAL(wp) :: root2 !< auxiliary variable
6558	REAL(wp) :: so4_out !<
6559	REAL(wp) :: so4_real !< new sulpate ion concentration
6560	REAL(wp) :: sodium_chloride !<
6561	REAL(wp) :: sodium_chloride_eq_frac !<
6562	REAL(wp) :: sodium_nitrate !<
6563	REAL(wp) :: sodium_nitrate_eq_frac !<
6564	REAL(wp) :: sodium_sulphate !<
6565	REAL(wp) :: sodium_sulphate_eq_frac !<
6566	REAL(wp) :: solutes !<
6567	REAL(wp) :: sulphuric_acid !<
6568	REAL(wp) :: sulphuric_acid_eq_frac !<
6569	REAL(wp) :: temp !< temperature
6570	REAL(wp) :: water_total !<
6571
6572	REAL(wp), DIMENSION(:) :: gamma_out !< Activity coefficient for calculating the non-ideal
6573	!< dissociation constants
6574	!< 1: HNO3, 2: HCL, 3: NH4+/H+ (NH3), 4: HHSO4**2/H2SO4,
6575	!< 5: H2SO43/HHSO42, 6: NH4HSO2, 7: HHSO4
6576	REAL(wp), DIMENSION(:) :: ions !< ion molarities (mol/m3): 1: H+, 2: NH4+, 3: Na+,
6577	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6578	REAL(wp), DIMENSION(7) :: ions_mol !< ion molalities (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6579	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6580	REAL(wp), DIMENSION(:) :: mols_out !< ion molality output (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6581	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6582	!
6583	!-- Value initialisation
6584	binary_h2so4 = 0.0_wp
6585	binary_hcl = 0.0_wp
6586	binary_hhso4 = 0.0_wp
6587	binary_hno3 = 0.0_wp
6588	binary_nh4hso4 = 0.0_wp
6589	henrys_temp_dep = ( 1.0_wp / temp - 0.0033557_wp ) ! 1/T - 1/298 K
6590	hcl_hno3 = 1.0_wp
6591	h2so4_hno3 = 1.0_wp
6592	nh42so4_hno3 = 1.0_wp
6593	nh4no3_hno3 = 1.0_wp
6594	nh4cl_hno3 = 1.0_wp
6595	na2so4_hno3 = 1.0_wp
6596	nano3_hno3 = 1.0_wp
6597	nacl_hno3 = 1.0_wp
6598	hno3_hcl = 1.0_wp
6599	h2so4_hcl = 1.0_wp
6600	nh42so4_hcl = 1.0_wp
6601	nh4no3_hcl = 1.0_wp
6602	nh4cl_hcl = 1.0_wp
6603	na2so4_hcl = 1.0_wp
6604	nano3_hcl = 1.0_wp
6605	nacl_hcl = 1.0_wp
6606	hno3_nh3 = 1.0_wp
6607	h2so4_nh3 = 1.0_wp
6608	nh42so4_nh3 = 1.0_wp
6609	nh4no3_nh3 = 1.0_wp
6610	nh4cl_nh3 = 1.0_wp
6611	na2so4_nh3 = 1.0_wp
6612	nano3_nh3 = 1.0_wp
6613	nacl_nh3 = 1.0_wp
6614	hno3_hhso4 = 1.0_wp
6615	hcl_hhso4 = 1.0_wp
6616	nh42so4_hhso4 = 1.0_wp
6617	nh4no3_hhso4 = 1.0_wp
6618	nh4cl_hhso4 = 1.0_wp
6619	na2so4_hhso4 = 1.0_wp
6620	nano3_hhso4 = 1.0_wp
6621	nacl_hhso4 = 1.0_wp
6622	hno3_h2so4 = 1.0_wp
6623	hcl_h2so4 = 1.0_wp
6624	nh42so4_h2so4 = 1.0_wp
6625	nh4no3_h2so4 = 1.0_wp
6626	nh4cl_h2so4 = 1.0_wp
6627	na2so4_h2so4 = 1.0_wp
6628	nano3_h2so4 = 1.0_wp
6629	nacl_h2so4 = 1.0_wp
6630	!
6631	!-- New NH3 variables
6632	hno3_nh4hso4 = 1.0_wp
6633	hcl_nh4hso4 = 1.0_wp
6634	h2so4_nh4hso4 = 1.0_wp
6635	nh42so4_nh4hso4 = 1.0_wp
6636	nh4no3_nh4hso4 = 1.0_wp
6637	nh4cl_nh4hso4 = 1.0_wp
6638	na2so4_nh4hso4 = 1.0_wp
6639	nano3_nh4hso4 = 1.0_wp
6640	nacl_nh4hso4 = 1.0_wp
6641	!
6642	!-- Juha Tonttila added
6643	mols_out = 0.0_wp
6644	press_hno3 = 0.0_wp !< Initialising vapour pressures over the
6645	press_hcl = 0.0_wp !< multicomponent particle
6646	press_nh3 = 0.0_wp
6647	gamma_out = 1.0_wp !< i.e. don't alter the ideal mixing ratios if there's nothing there.
6648	!
6649	!-- 1) - COMPOSITION DEFINITIONS
6650	!
6651	!-- a) Inorganic ion pairing:
6652	!-- In order to calculate the water content, which is also used in calculating vapour pressures, one
6653	!-- needs to pair the anions and cations for use in the ZSR mixing rule. The equation provided by
6654	!-- Clegg et al. (2001) is used for ion pairing. The solutes chosen comprise of 9 inorganic salts
6655	!-- and acids which provide a pairing between each anion and cation: (NH4)2SO4, NH4NO3, NH4Cl,
6656	!-- Na2SO4, NaNO3, NaCl, H2SO4, HNO3, HCL. The organic compound is treated as a seperate solute.
6657	!-- Ions: 1: H+, 2: NH4+, 3: Na+, 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6658	!
6659	charge_sum = ions(1) + ions(2) + ions(3) + 2.0_wp * ions(4) + ions(5) + ions(6) + ions(7)
6660	nitric_acid = ( 2.0_wp * ions(1) * ions(6) ) / charge_sum
6661	hydrochloric_acid = ( 2.0_wp * ions(1) * ions(7) ) / charge_sum
6662	sulphuric_acid = ( 2.0_wp * ions(1) * ions(4) ) / charge_sum
6663	ammonium_sulphate = ( 2.0_wp * ions(2) * ions(4) ) / charge_sum
6664	ammonium_nitrate = ( 2.0_wp * ions(2) * ions(6) ) / charge_sum
6665	ammonium_chloride = ( 2.0_wp * ions(2) * ions(7) ) / charge_sum
6666	sodium_sulphate = ( 2.0_wp * ions(3) * ions(4) ) / charge_sum
6667	sodium_nitrate = ( 2.0_wp * ions(3) * ions(6) ) / charge_sum
6668	sodium_chloride = ( 2.0_wp * ions(3) * ions(7) ) / charge_sum
6669	solutes = 0.0_wp
6670	solutes = 3.0_wp * sulphuric_acid + 2.0_wp * hydrochloric_acid + 2.0_wp * nitric_acid + &
6671	3.0_wp * ammonium_sulphate + 2.0_wp * ammonium_nitrate + 2.0_wp * ammonium_chloride +&
6672	3.0_wp * sodium_sulphate + 2.0_wp * sodium_nitrate + 2.0_wp * sodium_chloride
6673	!
6674	!-- b) Inorganic equivalent fractions:
6675	!-- These values are calculated so that activity coefficients can be expressed by a linear additive
6676	!-- rule, thus allowing more efficient calculations and future expansion (see more detailed
6677	!-- description below)
6678	nitric_acid_eq_frac = 2.0_wp * nitric_acid / solutes
6679	hydrochloric_acid_eq_frac = 2.0_wp * hydrochloric_acid / solutes
6680	sulphuric_acid_eq_frac = 3.0_wp * sulphuric_acid / solutes
6681	ammonium_sulphate_eq_frac = 3.0_wp * ammonium_sulphate / solutes
6682	ammonium_nitrate_eq_frac = 2.0_wp * ammonium_nitrate / solutes
6683	ammonium_chloride_eq_frac = 2.0_wp * ammonium_chloride / solutes
6684	sodium_sulphate_eq_frac = 3.0_wp * sodium_sulphate / solutes
6685	sodium_nitrate_eq_frac = 2.0_wp * sodium_nitrate / solutes
6686	sodium_chloride_eq_frac = 2.0_wp * sodium_chloride / solutes
6687	!
6688	!-- Inorganic ion molalities
6689	ions_mol(1) = ions(1) / ( water_total * 18.01528E-3_wp ) ! H+
6690	ions_mol(2) = ions(2) / ( water_total * 18.01528E-3_wp ) ! NH4+
6691	ions_mol(3) = ions(3) / ( water_total * 18.01528E-3_wp ) ! Na+
6692	ions_mol(4) = ions(4) / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6693	ions_mol(5) = ions(5) / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6694	ions_mol(6) = ions(6) / ( water_total * 18.01528E-3_wp ) ! NO3-
6695	ions_mol(7) = ions(7) / ( water_total * 18.01528E-3_wp ) ! Cl-
6696
6697	!-- ***
6698	!-- At this point we may need to introduce a method for prescribing H+ when there is no 'real' value
6699	!-- for H+..i.e. in the sulphate poor domain. This will give a value for solve quadratic proposed by
6700	!-- Zaveri et al. 2005
6701	!
6702	!-- 2) - WATER CALCULATION
6703	!
6704	!-- a) The water content is calculated using the ZSR rule with solute concentrations calculated
6705	!-- using 1a above. Whilst the usual approximation of ZSR relies on binary data consisting of 5th or
6706	!-- higher order polynomials, in this code 4 different RH regimes are used, each housing cubic
6707	!-- equations for the water associated with each solute listed above. Binary water contents for
6708	!-- inorganic components were calculated using AIM online (Clegg et al 1998). The water associated
6709	!-- with the organic compound is calculated assuming ideality and that aw = RH.
6710	!
6711	!-- b) Molality of each inorganic ion and organic solute (initial input) is calculated for use in
6712	!-- vapour pressure calculation.
6713	!
6714	!-- 3) - BISULPHATE ION DISSOCIATION CALCULATION
6715	!
6716	!-- The dissociation of the bisulphate ion is calculated explicitly. A solution to the equilibrium
6717	!-- equation between the bisulphate ion, hydrogen ion and sulphate ion is found using tabulated
6718	!-- equilibrium constants (referenced). It is necessary to calculate the activity coefficients of
6719	!-- HHSO4 and H2SO4 in a non-iterative manner. These are calculated using the same format as
6720	!-- described in 4) below, where both activity coefficients were fit to the output from ADDEM
6721	!-- (Topping et al 2005a,b) covering an extensive composition space, providing the activity
6722	!-- coefficients and bisulphate ion dissociation as a function of equivalent mole fractions and
6723	!-- relative humidity.
6724	!
6725	!-- NOTE: the flags "binary_case" and "full_complexity" are not used in this prototype. They are
6726	!-- used for simplification of the fit expressions when using limited composition regions. This
6727	!-- section of code calculates the bisulphate ion concentration.
6728	!
6729	IF ( ions(1) > 0.0_wp .AND. ions(4) > 0.0_wp ) THEN
6730	!
6731	!-- HHSO4:
6732	binary_case = 1
6733	IF ( rh > 0.1_wp .AND. rh < 0.9_wp ) THEN
6734	binary_hhso4 = -4.9521_wp * rh*3 + 9.2881_wp rh*2 - 10.777_wp rh + 6.0534_wp
6735	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.955_wp ) THEN
6736	binary_hhso4 = -6.3777_wp * rh + 5.962_wp
6737	ELSEIF ( rh >= 0.955_wp .AND. rh < 0.99_wp ) THEN
6738	binary_hhso4 = 2367.2_wp * rh*3 - 6849.7_wp rh*2 + 6600.9_wp rh - 2118.7_wp
6739	ELSEIF ( rh >= 0.99_wp .AND. rh < 0.9999_wp ) THEN
6740	binary_hhso4 = 3E-7_wp * rh*5 - 2E-5_wp rh*4 + 0.0004_wp rh*3 - 0.0035_wp rh**2 &
6741	+ 0.0123_wp * rh - 0.3025_wp
6742	ENDIF
6743
6744	IF ( nitric_acid > 0.0_wp ) THEN
6745	hno3_hhso4 = -4.2204_wp * rh*4 + 12.193_wp rh*3 - 12.481_wp rh*2 + 6.459_wp rh &
6746	- 1.9004_wp
6747	ENDIF
6748
6749	IF ( hydrochloric_acid > 0.0_wp ) THEN
6750	hcl_hhso4 = -54.845_wp * rh*7 + 209.54_wp rh*6 - 336.59_wp rh*5 + 294.21_wp &
6751	rh*4 - 150.07_wp rh*3 + 43.767_wp rh*2 - 6.5495_wp rh + 0.60048_wp
6752	ENDIF
6753
6754	IF ( ammonium_sulphate > 0.0_wp ) THEN
6755	nh42so4_hhso4 = 16.768_wp * rh*3 - 28.75_wp rh*2 + 20.011_wp rh - 8.3206_wp
6756	ENDIF
6757
6758	IF ( ammonium_nitrate > 0.0_wp ) THEN
6759	nh4no3_hhso4 = -17.184_wp * rh*4 + 56.834_wp rh*3 - 65.765_wp rh**2 + &
6760	35.321_wp * rh - 9.252_wp
6761	ENDIF
6762
6763	IF (ammonium_chloride > 0.0_wp ) THEN
6764	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6765	nh4cl_hhso4 = 3.2809_wp * rh - 2.0637_wp
6766	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6767	nh4cl_hhso4 = -1.2981_wp * rh*3 + 4.7461_wp rh*2 - 2.3269_wp rh - 1.1259_wp
6768	ENDIF
6769	ENDIF
6770
6771	IF ( sodium_sulphate > 0.0_wp ) THEN
6772	na2so4_hhso4 = 118.87_wp * rh*6 - 358.63_wp rh*5 + 435.85_wp rh*4 - 272.88_wp &
6773	rh*3 + 94.411_wp rh*2 - 18.21_wp rh + 0.45935_wp
6774	ENDIF
6775
6776	IF ( sodium_nitrate > 0.0_wp ) THEN
6777	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6778	nano3_hhso4 = 4.8456_wp * rh - 2.5773_wp
6779	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6780	nano3_hhso4 = 0.5964_wp * rh*3 - 0.38967_wp rh*2 + 1.7918_wp rh - 1.9691_wp
6781	ENDIF
6782	ENDIF
6783
6784	IF ( sodium_chloride > 0.0_wp ) THEN
6785	IF ( rh < 0.2_wp ) THEN
6786	nacl_hhso4 = 0.51995_wp * rh - 1.3981_wp
6787	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6788	nacl_hhso4 = 1.6539_wp * rh - 1.6101_wp
6789	ENDIF
6790	ENDIF
6791
6792	ln_hhso4_act = binary_hhso4 + nitric_acid_eq_frac * hno3_hhso4 + &
6793	hydrochloric_acid_eq_frac * hcl_hhso4 + &
6794	ammonium_sulphate_eq_frac * nh42so4_hhso4 + &
6795	ammonium_nitrate_eq_frac * nh4no3_hhso4 + &
6796	ammonium_chloride_eq_frac * nh4cl_hhso4 + &
6797	sodium_sulphate_eq_frac * na2so4_hhso4 + &
6798	sodium_nitrate_eq_frac * nano3_hhso4 + sodium_chloride_eq_frac * nacl_hhso4
6799
6800	gamma_hhso4 = EXP( ln_hhso4_act ) ! molal activity coefficient of HHSO4
6801
6802	!-- H2SO4 (sulphuric acid):
6803	IF ( rh >= 0.1_wp .AND. rh < 0.9_wp ) THEN
6804	binary_h2so4 = 2.4493_wp * rh*2 - 6.2326_wp rh + 2.1763_wp
6805	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.98 ) THEN
6806	binary_h2so4 = 914.68_wp * rh*3 - 2502.3_wp rh*2 + 2281.9_wp rh - 695.11_wp
6807	ELSEIF ( rh >= 0.98 .AND. rh < 0.9999 ) THEN
6808	binary_h2so4 = 3.0E-8_wp * rh*4 - 5E-6_wp rh*3 + 0.0003_wp rh*2 - 0.0022_wp &
6809	rh - 1.1305_wp
6810	ENDIF
6811
6812	IF ( nitric_acid > 0.0_wp ) THEN
6813	hno3_h2so4 = - 16.382_wp * rh*5 + 46.677_wp rh*4 - 54.149_wp rh*3 + 34.36_wp &
6814	rh*2 - 12.54_wp rh + 2.1368_wp
6815	ENDIF
6816
6817	IF ( hydrochloric_acid > 0.0_wp ) THEN
6818	hcl_h2so4 = - 14.409_wp * rh*5 + 42.804_wp rh*4 - 47.24_wp rh*3 + 24.668_wp &
6819	rh*2 - 5.8015_wp rh + 0.084627_wp
6820	ENDIF
6821
6822	IF ( ammonium_sulphate > 0.0_wp ) THEN
6823	nh42so4_h2so4 = 66.71_wp * rh*5 - 187.5_wp rh*4 + 210.57_wp rh*3 - 121.04_wp &
6824	rh*2 + 39.182_wp rh - 8.0606_wp
6825	ENDIF
6826
6827	IF ( ammonium_nitrate > 0.0_wp ) THEN
6828	nh4no3_h2so4 = - 22.532_wp * rh*4 + 66.615_wp rh*3 - 74.647_wp rh*2 + 37.638_wp &
6829	rh - 6.9711_wp
6830	ENDIF
6831
6832	IF ( ammonium_chloride > 0.0_wp ) THEN
6833	IF ( rh >= 0.1_wp .AND. rh < 0.2_wp ) THEN
6834	nh4cl_h2so4 = - 0.32089_wp * rh + 0.57738_wp
6835	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.9_wp ) THEN
6836	nh4cl_h2so4 = 18.089_wp * rh*5 - 51.083_wp rh*4 + 50.32_wp rh*3 - 17.012_wp &
6837	rh*2 - 0.93435_wp rh + 1.0548_wp
6838	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.99_wp ) THEN
6839	nh4cl_h2so4 = - 1.5749_wp * rh + 1.7002_wp
6840	ENDIF
6841	ENDIF
6842
6843	IF ( sodium_sulphate > 0.0_wp ) THEN
6844	na2so4_h2so4 = 29.843_wp * rh*4 - 69.417_wp rh*3 + 61.507_wp rh*2 - 29.874_wp &
6845	rh + 7.7556_wp
6846	ENDIF
6847
6848	IF ( sodium_nitrate > 0.0_wp ) THEN
6849	nano3_h2so4 = - 122.37_wp * rh*6 + 427.43_wp rh*5 - 604.68_wp rh*4 + 443.08_wp &
6850	rh*3 - 178.61_wp rh*2 + 37.242_wp rh - 1.9564_wp
6851	ENDIF
6852
6853	IF ( sodium_chloride > 0.0_wp ) THEN
6854	nacl_h2so4 = - 40.288_wp * rh*5 + 115.61_wp rh*4 - 129.99_wp rh*3 + 72.652_wp &
6855	rh*2 - 22.124_wp rh + 4.2676_wp
6856	ENDIF
6857
6858	ln_h2so4_act = binary_h2so4 + nitric_acid_eq_frac * hno3_h2so4 + &
6859	hydrochloric_acid_eq_frac * hcl_h2so4 + &
6860	ammonium_sulphate_eq_frac * nh42so4_h2so4 + &
6861	ammonium_nitrate_eq_frac * nh4no3_h2so4 + &
6862	ammonium_chloride_eq_frac * nh4cl_h2so4 + &
6863	sodium_sulphate_eq_frac * na2so4_h2so4 + &
6864	sodium_nitrate_eq_frac * nano3_h2so4 + sodium_chloride_eq_frac * nacl_h2so4
6865
6866	gamma_h2so4 = EXP( ln_h2so4_act ) ! molal activity coefficient
6867	!
6868	!-- Export activity coefficients
6869	IF ( gamma_h2so4 > 1.0E-10_wp ) THEN
6870	gamma_out(4) = gamma_hhso4**2 / gamma_h2so4
6871	ENDIF
6872	IF ( gamma_hhso4 > 1.0E-10_wp ) THEN
6873	gamma_out(5) = gamma_h2so43 / gamma_hhso42
6874	ENDIF
6875	!
6876	!-- Ionic activity coefficient product
6877	act_product = gamma_h2so43 / gamma_hhso42
6878	!
6879	!-- Solve the quadratic equation (i.e. x in ax**2 + bx + c = 0)
6880	a = 1.0_wp
6881	b = -1.0_wp * ( ions(4) + ions(1) + ( ( water_total * 18.0E-3_wp ) / &
6882	( 99.0_wp * act_product ) ) )
6883	c = ions(4) * ions(1)
6884	root1 = ( ( -1.0_wp * b ) + ( ( ( b*2 ) - 4.0_wp a * c )*0.5_wp ) ) / ( 2.0_wp a )
6885	root2 = ( ( -1.0_wp * b ) - ( ( ( b*2 ) - 4.0_wp a * c) *0.5_wp ) ) / ( 2.0_wp a )
6886
6887	IF ( root1 > ions(1) .OR. root1 < 0.0_wp ) THEN
6888	root1 = 0.0_wp
6889	ENDIF
6890
6891	IF ( root2 > ions(1) .OR. root2 < 0.0_wp ) THEN
6892	root2 = 0.0_wp
6893	ENDIF
6894	!
6895	!-- Calculate the new hydrogen ion, bisulphate ion and sulphate ion
6896	!-- concentration
6897	h_real = ions(1)
6898	so4_real = ions(4)
6899	hso4_real = MAX( root1, root2 )
6900	h_real = ions(1) - hso4_real
6901	so4_real = ions(4) - hso4_real
6902	!
6903	!-- Recalculate ion molalities
6904	ions_mol(1) = h_real / ( water_total * 18.01528E-3_wp ) ! H+
6905	ions_mol(4) = so4_real / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6906	ions_mol(5) = hso4_real / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6907
6908	h_out = h_real
6909	hso4_out = hso4_real
6910	so4_out = so4_real
6911
6912	ELSE
6913	h_out = ions(1)
6914	hso4_out = 0.0_wp
6915	so4_out = ions(4)
6916	ENDIF
6917
6918	!
6919	!-- 4) ACTIVITY COEFFICIENTS -for vapour pressures of HNO3,HCL and NH3
6920	!
6921	!-- This section evaluates activity coefficients and vapour pressures using the water content
6922	!-- calculated above) for each inorganic condensing species: a - HNO3, b - NH3, c - HCL.
6923	!-- The following procedure is used: Zaveri et al (2005) found that one could express the variation
6924	!-- of activity coefficients linearly in log-space if equivalent mole fractions were used.
6925	!-- So, by a taylor series expansion LOG( activity coefficient ) =
6926	!-- LOG( binary activity coefficient at a given RH ) +
6927	!-- (equivalent mole fraction compound A) *
6928	!-- ('interaction' parameter between A and condensing species) +
6929	!-- equivalent mole fraction compound B) *
6930	!-- ('interaction' parameter between B and condensing species).
6931	!-- Here, the interaction parameters have been fit to ADDEM by searching the whole compositon space
6932	!-- and fit usign the Levenberg-Marquardt non-linear least squares algorithm.
6933	!
6934	!-- They are given as a function of RH and vary with complexity ranging from linear to 5th order
6935	!-- polynomial expressions, the binary activity coefficients were calculated using AIM online.
6936	!-- NOTE: for NH3, no binary activity coefficient was used and the data were fit to the ratio of the
6937	!-- activity coefficients for the ammonium and hydrogen ions. Once the activity coefficients are
6938	!-- obtained the vapour pressure can be easily calculated using tabulated equilibrium constants
6939	!-- (referenced). This procedure differs from that of Zaveri et al (2005) in that it is not assumed
6940	!-- one can carry behaviour from binary mixtures in multicomponent systems. To this end we have fit
6941	!-- the 'interaction' parameters explicitly to a general inorganic equilibrium model
6942	!-- (ADDEM - Topping et al. 2005a,b). Such parameters take into account bisulphate ion dissociation
6943	!-- and water content. This also allows us to consider one regime for all composition space, rather
6944	!-- than defining sulphate rich and sulphate poor regimes.
6945	!-- NOTE: The flags "binary_case" and "full_complexity" are not used in this prototype. They are
6946	!-- used for simplification of the fit expressions when using limited composition regions.
6947	!
6948	!-- a) - ACTIVITY COEFF/VAPOUR PRESSURE - HNO3
6949	IF ( ions(1) > 0.0_wp .AND. ions(6) > 0.0_wp ) THEN
6950	binary_case = 1
6951	IF ( rh > 0.1_wp .AND. rh < 0.98_wp ) THEN
6952	IF ( binary_case == 1 ) THEN
6953	binary_hno3 = 1.8514_wp * rh*3 - 4.6991_wp rh*2 + 1.5514_wp rh + 0.90236_wp
6954	ELSEIF ( binary_case == 2 ) THEN
6955	binary_hno3 = - 1.1751_wp * ( rh*2 ) - 0.53794_wp rh + 1.2808_wp
6956	ENDIF
6957	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
6958	binary_hno3 = 1244.69635941351_wp * rh*3 - 2613.93941099991_wp rh**2 + &
6959	1525.0684974546_wp * rh -155.946764059316_wp
6960	ENDIF
6961	!
6962	!-- Contributions from other solutes
6963	full_complexity = 1
6964	IF ( hydrochloric_acid > 0.0_wp ) THEN ! HCL
6965	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6966	hcl_hno3 = 16.051_wp * rh*4 - 44.357_wp rh*3 + 45.141_wp rh*2 - 21.638_wp &
6967	rh + 4.8182_wp
6968	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6969	hcl_hno3 = - 1.5833_wp * rh + 1.5569_wp
6970	ENDIF
6971	ENDIF
6972
6973	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
6974	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6975	h2so4_hno3 = - 3.0849_wp * rh*3 + 5.9609_wp rh*2 - 4.468_wp rh + 1.5658_wp
6976	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6977	h2so4_hno3 = - 0.93473_wp * rh + 0.9363_wp
6978	ENDIF
6979	ENDIF
6980
6981	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
6982	nh42so4_hno3 = 16.821_wp * rh*3 - 28.391_wp rh*2 + 18.133_wp rh - 6.7356_wp
6983	ENDIF
6984
6985	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
6986	nh4no3_hno3 = 11.01_wp * rh*3 - 21.578_wp rh*2 + 14.808_wp rh - 4.2593_wp
6987	ENDIF
6988
6989	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
6990	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6991	nh4cl_hno3 = - 1.176_wp * rh*3 + 5.0828_wp rh*2 - 3.8792_wp rh - 0.05518_wp
6992	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6993	nh4cl_hno3 = 2.6219_wp * rh*2 - 2.2609_wp rh - 0.38436_wp
6994	ENDIF
6995	ENDIF
6996
6997	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
6998	na2so4_hno3 = 35.504_wp * rh*4 - 80.101_wp rh*3 + 67.326_wp rh*2 - 28.461_wp &
6999	rh + 5.6016_wp
7000	ENDIF
7001
7002	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
7003	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7004	nano3_hno3 = 23.659_wp * rh*5 - 66.917_wp rh*4 + 74.686_wp rh*3 - 40.795_wp &
7005	rh*2 + 10.831_wp rh - 1.4701_wp
7006	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7007	nano3_hno3 = 14.749_wp * rh*4 - 35.237_wp rh*3 + 31.196_wp rh*2 - 12.076_wp &
7008	rh + 1.3605_wp
7009	ENDIF
7010	ENDIF
7011
7012	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
7013	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7014	nacl_hno3 = 13.682_wp * rh*4 - 35.122_wp rh*3 + 33.397_wp rh*2 - 14.586_wp &
7015	rh + 2.6276_wp
7016	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7017	nacl_hno3 = 1.1882_wp * rh*3 - 1.1037_wp rh*2 - 0.7642_wp rh + 0.6671_wp
7018	ENDIF
7019	ENDIF
7020
7021	ln_hno3_act = binary_hno3 + hydrochloric_acid_eq_frac * hcl_hno3 + &
7022	sulphuric_acid_eq_frac * h2so4_hno3 + &
7023	ammonium_sulphate_eq_frac * nh42so4_hno3 + &
7024	ammonium_nitrate_eq_frac * nh4no3_hno3 + &
7025	ammonium_chloride_eq_frac * nh4cl_hno3 + &
7026	sodium_sulphate_eq_frac * na2so4_hno3 + &
7027	sodium_nitrate_eq_frac * nano3_hno3 + sodium_chloride_eq_frac * nacl_hno3
7028
7029	gamma_hno3 = EXP( ln_hno3_act ) ! Molal activity coefficient of HNO3
7030	gamma_out(1) = gamma_hno3
7031	!
7032	!-- Partial pressure calculation
7033	!-- k_hno3 = 2.51 * ( 10**6 )
7034	!-- k_hno3 = 2.628145923d6 !< calculated by AIM online (Clegg et al 1998) after Chameides (1984)
7035	k_hno3 = 2.6E6_wp * EXP( 8700.0_wp * henrys_temp_dep )
7036	press_hno3 = ( ions_mol(1) * ions_mol(6) * ( gamma_hno3**2 ) ) / k_hno3
7037	ENDIF
7038	!
7039	!-- b) - ACTIVITY COEFF/VAPOUR PRESSURE - NH3
7040	!-- Follow the two solute approach of Zaveri et al. (2005)
7041	IF ( ions(2) > 0.0_wp .AND. ions_mol(1) > 0.0_wp ) THEN
7042	!
7043	!-- NH4HSO4:
7044	binary_nh4hso4 = 56.907_wp * rh*6 - 155.32_wp rh*5 + 142.94_wp rh*4 - 32.298_wp &
7045	rh*3 - 27.936_wp rh*2 + 19.502_wp rh - 4.2618_wp
7046	IF ( nitric_acid > 0.0_wp) THEN ! HNO3
7047	hno3_nh4hso4 = 104.8369_wp * rh*8 - 288.8923_wp rh*7 + 129.3445_wp rh**6 + &
7048	373.0471_wp * rh*5 - 571.0385_wp rh*4 + 326.3528_wp rh**3 - &
7049	74.169_wp * rh*2 - 2.4999_wp rh + 3.17_wp
7050	ENDIF
7051
7052	IF ( hydrochloric_acid > 0.0_wp) THEN ! HCL
7053	hcl_nh4hso4 = - 7.9133_wp * rh*8 + 126.6648_wp rh*7 - 460.7425_wp rh**6 + &
7054	731.606_wp * rh*5 - 582.7467_wp rh*4 + 216.7197_wp rh**3 - &
7055	11.3934_wp * rh*2 - 17.7728_wp rh + 5.75_wp
7056	ENDIF
7057
7058	IF ( sulphuric_acid > 0.0_wp) THEN ! H2SO4
7059	h2so4_nh4hso4 = 195.981_wp * rh*8 - 779.2067_wp rh*7 + 1226.3647_wp rh**6 - &
7060	964.0261_wp * rh*5 + 391.7911_wp rh*4 - 84.1409_wp rh**3 + &
7061	20.0602_wp * rh*2 - 10.2663_wp rh + 3.5817_wp
7062	ENDIF
7063
7064	IF ( ammonium_sulphate > 0.0_wp) THEN ! NH42SO4
7065	nh42so4_nh4hso4 = 617.777_wp * rh*8 - 2547.427_wp rh*7 + 4361.6009_wp rh**6 - &
7066	4003.162_wp * rh*5 + 2117.8281_wp rh*4 - 640.0678_wp rh**3 + &
7067	98.0902_wp * rh*2 - 2.2615_wp rh - 2.3811_wp
7068	ENDIF
7069
7070	IF ( ammonium_nitrate > 0.0_wp) THEN ! NH4NO3
7071	nh4no3_nh4hso4 = - 104.4504_wp * rh*8 + 539.5921_wp rh*7 - 1157.0498_wp rh**6 + &
7072	1322.4507_wp * rh*5 - 852.2475_wp rh*4 + 298.3734_wp rh**3 - &
7073	47.0309_wp * rh*2 + 1.297_wp rh - 0.8029_wp
7074	ENDIF
7075
7076	IF ( ammonium_chloride > 0.0_wp) THEN ! NH4Cl
7077	nh4cl_nh4hso4 = 258.1792_wp * rh*8 - 1019.3777_wp rh*7 + 1592.8918_wp rh**6 - &
7078	1221.0726_wp * rh*5 + 442.2548_wp rh*4 - 43.6278_wp rh**3 - &
7079	7.5282_wp * rh*2 - 3.8459_wp rh + 2.2728_wp
7080	ENDIF
7081
7082	IF ( sodium_sulphate > 0.0_wp) THEN ! Na2SO4
7083	na2so4_nh4hso4 = 225.4238_wp * rh*8 - 732.4113_wp rh*7 + 843.7291_wp rh**6 - &
7084	322.7328_wp * rh*5 - 88.6252_wp rh*4 + 72.4434_wp rh**3 + &
7085	22.9252_wp * rh*2 - 25.3954_wp rh + 4.6971_wp
7086	ENDIF
7087
7088	IF ( sodium_nitrate > 0.0_wp) THEN ! NaNO3
7089	nano3_nh4hso4 = 96.1348_wp * rh*8 - 341.6738_wp rh*7 + 406.5314_wp rh**6 - &
7090	98.5777_wp * rh*5 - 172.8286_wp rh*4 + 149.3151_wp rh**3 - &
7091	38.9998_wp * rh*2 - 0.2251_wp rh + 0.4953_wp
7092	ENDIF
7093
7094	IF ( sodium_chloride > 0.0_wp) THEN ! NaCl
7095	nacl_nh4hso4 = 91.7856_wp * rh*8 - 316.6773_wp rh*7 + 358.2703_wp rh**6 - &
7096	68.9142_wp * rh*5 - 156.5031_wp rh*4 + 116.9592_wp rh**3 - &
7097	22.5271_wp * rh*2 - 3.7716_wp rh + 1.56_wp
7098	ENDIF
7099
7100	ln_nh4hso4_act = binary_nh4hso4 + nitric_acid_eq_frac * hno3_nh4hso4 + &
7101	hydrochloric_acid_eq_frac * hcl_nh4hso4 + &
7102	sulphuric_acid_eq_frac * h2so4_nh4hso4 + &
7103	ammonium_sulphate_eq_frac * nh42so4_nh4hso4 + &
7104	ammonium_nitrate_eq_frac * nh4no3_nh4hso4 + &
7105	ammonium_chloride_eq_frac * nh4cl_nh4hso4 + &
7106	sodium_sulphate_eq_frac * na2so4_nh4hso4 + &
7107	sodium_nitrate_eq_frac * nano3_nh4hso4 + &
7108	sodium_chloride_eq_frac * nacl_nh4hso4
7109
7110	gamma_nh4hso4 = EXP( ln_nh4hso4_act ) ! molal act. coefficient of NH4HSO4
7111	!
7112	!-- Molal activity coefficient of NO3-
7113	gamma_out(6) = gamma_nh4hso4
7114	!
7115	!-- Molal activity coefficient of NH4+
7116	gamma_nh3 = gamma_nh4hso42 / gamma_hhso42
7117	gamma_out(3) = gamma_nh3
7118	!
7119	!-- This actually represents the ratio of the ammonium to hydrogen ion activity coefficients
7120	!-- (see Zaveri paper) - multiply this by the ratio of the ammonium to hydrogen ion molality and
7121	!-- the ratio of appropriate equilibrium constants
7122	!
7123	!-- Equilibrium constants
7124	!-- k_h = 57.64d0 ! Zaveri et al. (2005)
7125	k_h = 5.8E1_wp * EXP( 4085.0_wp * henrys_temp_dep ) ! after Chameides (1984)
7126	!-- k_nh4 = 1.81E-5_wp ! Zaveri et al. (2005)
7127	k_nh4 = 1.7E-5_wp * EXP( -4325.0_wp * henrys_temp_dep ) ! Chameides (1984)
7128	!-- k_h2o = 1.01E-14_wp ! Zaveri et al (2005)
7129	k_h2o = 1.E-14_wp * EXP( -6716.0_wp * henrys_temp_dep ) ! Chameides (1984)
7130	!
7131	molality_ratio_nh3 = ions_mol(2) / ions_mol(1)
7132	!
7133	!-- Partial pressure calculation
7134	press_nh3 = molality_ratio_nh3 * gamma_nh3 * ( k_h2o / ( k_h * k_nh4 ) )
7135
7136	ENDIF
7137	!
7138	!-- c) - ACTIVITY COEFF/VAPOUR PRESSURE - HCL
7139	IF ( ions(1) > 0.0_wp .AND. ions(7) > 0.0_wp ) THEN
7140	binary_case = 1
7141	IF ( rh > 0.1_wp .AND. rh < 0.98 ) THEN
7142	IF ( binary_case == 1 ) THEN
7143	binary_hcl = - 5.0179_wp * rh*3 + 9.8816_wp rh*2 - 10.789_wp rh + 5.4737_wp
7144	ELSEIF ( binary_case == 2 ) THEN
7145	binary_hcl = - 4.6221_wp * rh + 4.2633_wp
7146	ENDIF
7147	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
7148	binary_hcl = 775.6111008626_wp * rh*3 - 2146.01320888771_wp rh**2 + &
7149	1969.01979670259_wp * rh - 598.878230033926_wp
7150	ENDIF
7151	ENDIF
7152
7153	IF ( nitric_acid > 0.0_wp ) THEN ! HNO3
7154	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7155	hno3_hcl = 9.6256_wp * rh*4 - 26.507_wp rh*3 + 27.622_wp rh*2 - 12.958_wp rh + &
7156	2.2193_wp
7157	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7158	hno3_hcl = 1.3242_wp * rh*2 - 1.8827_wp rh + 0.55706_wp
7159	ENDIF
7160	ENDIF
7161
7162	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
7163	IF ( full_complexity == 1 .OR. rh <= 0.4 ) THEN
7164	h2so4_hcl = 1.4406_wp * rh*3 - 2.7132_wp rh*2 + 1.014_wp rh + 0.25226_wp
7165	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7166	h2so4_hcl = 0.30993_wp * rh*2 - 0.99171_wp rh + 0.66913_wp
7167	ENDIF
7168	ENDIF
7169
7170	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
7171	nh42so4_hcl = 22.071_wp * rh*3 - 40.678_wp rh*2 + 27.893_wp rh - 9.4338_wp
7172	ENDIF
7173
7174	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
7175	nh4no3_hcl = 19.935_wp * rh*3 - 42.335_wp rh*2 + 31.275_wp rh - 8.8675_wp
7176	ENDIF
7177
7178	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
7179	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7180	nh4cl_hcl = 2.8048_wp * rh*3 - 4.3182_wp rh*2 + 3.1971_wp rh - 1.6824_wp
7181	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7182	nh4cl_hcl = 1.2304_wp * rh*2 - 0.18262_wp rh - 1.0643_wp
7183	ENDIF
7184	ENDIF
7185
7186	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
7187	na2so4_hcl = 36.104_wp * rh*4 - 78.658_wp rh*3 + 63.441_wp rh*2 - 26.727_wp rh + &
7188	5.7007_wp
7189	ENDIF
7190
7191	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
7192	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7193	nano3_hcl = 54.471_wp * rh*5 - 159.42_wp rh*4 + 180.25_wp rh*3 - 98.176_wp rh**2&
7194	+ 25.309_wp * rh - 2.4275_wp
7195	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7196	nano3_hcl = 21.632_wp * rh*4 - 53.088_wp rh*3 + 47.285_wp rh*2 - 18.519_wp rh &
7197	+ 2.6846_wp
7198	ENDIF
7199	ENDIF
7200
7201	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
7202	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7203	nacl_hcl = 5.4138_wp * rh*4 - 12.079_wp rh*3 + 9.627_wp rh*2 - 3.3164_wp rh + &
7204	0.35224_wp
7205	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7206	nacl_hcl = 2.432_wp * rh*3 - 4.3453_wp rh*2 + 2.3834_wp rh - 0.4762_wp
7207	ENDIF
7208	ENDIF
7209
7210	ln_HCL_act = binary_hcl + nitric_acid_eq_frac * hno3_hcl + sulphuric_acid_eq_frac * h2so4_hcl +&
7211	ammonium_sulphate_eq_frac * nh42so4_hcl + ammonium_nitrate_eq_frac * nh4no3_hcl + &
7212	ammonium_chloride_eq_frac * nh4cl_hcl + sodium_sulphate_eq_frac * na2so4_hcl + &
7213	sodium_nitrate_eq_frac * nano3_hcl + sodium_chloride_eq_frac * nacl_hcl
7214
7215	gamma_hcl = EXP( ln_HCL_act ) ! Molal activity coefficient
7216	gamma_out(2) = gamma_hcl
7217	!
7218	!-- Equilibrium constant after Wagman et al. (1982) (and NIST database)
7219	k_hcl = 2E6_wp * EXP( 9000.0_wp * henrys_temp_dep )
7220
7221	press_hcl = ( ions_mol(1) * ions_mol(7) * gamma_hcl**2 ) / k_hcl
7222	!
7223	!-- 5) Ion molility output
7224	mols_out = ions_mol
7225
7226	END SUBROUTINE inorganic_pdfite
7227
7228	!------------------------------------------------------------------------------!
7229	! Description:
7230	! ------------
7231	!> Update the particle size distribution. Put particles into corrects bins.
7232	!>
7233	!> Moving-centre method assumed, i.e. particles are allowed to grow to their
7234	!> exact size as long as they are not crossing the fixed diameter bin limits.
7235	!> If the particles in a size bin cross the lower or upper diameter limit, they
7236	!> are all moved to the adjacent diameter bin and their volume is averaged with
7237	!> the particles in the new bin, which then get a new diameter.
7238	!
7239	!> Moving-centre method minimises numerical diffusion.
7240	!------------------------------------------------------------------------------!
7241	SUBROUTINE distr_update( paero )
7242
7243	IMPLICIT NONE
7244
7245	INTEGER(iwp) :: ib !< loop index
7246	INTEGER(iwp) :: mm !< loop index
7247	INTEGER(iwp) :: counti !< number of while loops
7248
7249	LOGICAL :: within_bins !< logical (particle belongs to the bin?)
7250
7251	REAL(wp) :: znfrac !< number fraction to be moved to the larger bin
7252	REAL(wp) :: zvfrac !< volume fraction to be moved to the larger bin
7253	REAL(wp) :: zvexc !< Volume in the grown bin which exceeds the bin upper limit
7254	REAL(wp) :: zvihi !< particle volume at the high end of the bin
7255	REAL(wp) :: zvilo !< particle volume at the low end of the bin
7256	REAL(wp) :: zvpart !< particle volume (m3)
7257	REAL(wp) :: zvrat !< volume ratio of a size bin
7258
7259	real(wp), dimension(nbins_aerosol) :: dummy
7260
7261	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
7262
7263	zvpart = 0.0_wp
7264	zvfrac = 0.0_wp
7265	within_bins = .FALSE.
7266
7267	dummy = paero(:)%numc
7268	!
7269	!-- Check if the volume of the bin is within bin limits after update
7270	counti = 0
7271	DO WHILE ( .NOT. within_bins )
7272	within_bins = .TRUE.
7273	!
7274	!-- Loop from larger to smaller size bins
7275	DO ib = end_subrange_2b-1, start_subrange_1a, -1
7276	mm = 0
7277	IF ( paero(ib)%numc > nclim ) THEN
7278	zvpart = 0.0_wp
7279	zvfrac = 0.0_wp
7280
7281	IF ( ib == end_subrange_2a ) CYCLE
7282	!
7283	!-- Dry volume
7284	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc
7285	!
7286	!-- Smallest bin cannot decrease
7287	IF ( paero(ib)%vlolim > zvpart .AND. ib == start_subrange_1a ) CYCLE
7288	!
7289	!-- Decreasing bins
7290	IF ( paero(ib)%vlolim > zvpart ) THEN
7291	mm = ib - 1
7292	IF ( ib == start_subrange_2b ) mm = end_subrange_1a ! 2b goes to 1a
7293
7294	paero(mm)%numc = paero(mm)%numc + paero(ib)%numc
7295	paero(ib)%numc = 0.0_wp
7296	paero(mm)%volc(:) = paero(mm)%volc(:) + paero(ib)%volc(:)
7297	paero(ib)%volc(:) = 0.0_wp
7298	CYCLE
7299	ENDIF
7300	!
7301	!-- If size bin has not grown, cycle.
7302	!-- Changed by Mona: compare to the arithmetic mean volume, as done originally. Now
7303	!-- particle volume is derived from the geometric mean diameter, not arithmetic (see
7304	!-- SUBROUTINE set_sizebins).
7305	IF ( zvpart <= api6 * ( ( aero(ib)%vhilim + aero(ib)%vlolim ) / ( 2.0_wp * api6 ) ) ) &
7306	CYCLE
7307	!
7308	!-- Avoid precision problems
7309	IF ( ABS( zvpart - api6 * paero(ib)%dmid**3 ) < 1.0E-35_wp ) CYCLE
7310	!
7311	!-- Volume ratio of the size bin
7312	zvrat = paero(ib)%vhilim / paero(ib)%vlolim
7313	!
7314	!-- Particle volume at the low end of the bin
7315	zvilo = 2.0_wp * zvpart / ( 1.0_wp + zvrat )
7316	!
7317	!-- Particle volume at the high end of the bin
7318	zvihi = zvrat * zvilo
7319	!
7320	!-- Volume in the grown bin which exceeds the bin upper limit
7321	zvexc = 0.5_wp * ( zvihi + paero(ib)%vhilim )
7322	!
7323	!-- Number fraction to be moved to the larger bin
7324	znfrac = MIN( 1.0_wp, ( zvihi - paero(ib)%vhilim) / ( zvihi - zvilo ) )
7325	!
7326	!-- Volume fraction to be moved to the larger bin
7327	zvfrac = MIN( 0.99_wp, znfrac * zvexc / zvpart )
7328	IF ( zvfrac < 0.0_wp ) THEN
7329	message_string = 'Error: zvfrac < 0'
7330	CALL message( 'salsa_mod: distr_update', 'PA0624', 1, 2, 0, 6, 0 )
7331	ENDIF
7332	!
7333	!-- Update bin
7334	mm = ib + 1
7335	!
7336	!-- Volume (cm3/cm3)
7337	paero(mm)%volc(:) = paero(mm)%volc(:) + znfrac * paero(ib)%numc * zvexc * &
7338	paero(ib)%volc(:) / SUM( paero(ib)%volc(1:7) )
7339	paero(ib)%volc(:) = paero(ib)%volc(:) - znfrac * paero(ib)%numc * zvexc * &
7340	paero(ib)%volc(:) / SUM( paero(ib)%volc(1:7) )
7341
7342	!-- Number concentration (#/m3)
7343	paero(mm)%numc = paero(mm)%numc + znfrac * paero(ib)%numc
7344	paero(ib)%numc = paero(ib)%numc * ( 1.0_wp - znfrac )
7345
7346	ENDIF ! nclim
7347
7348	IF ( paero(ib)%numc > nclim ) THEN
7349	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc ! Note: dry volume!
7350	within_bins = ( paero(ib)%vlolim < zvpart .AND. zvpart < paero(ib)%vhilim )
7351	ENDIF
7352
7353	ENDDO ! - ib
7354
7355	counti = counti + 1
7356	IF ( counti > 100 ) THEN
7357	message_string = 'Error: Aerosol bin update not converged'
7358	CALL message( 'salsa_mod: distr_update', 'PA0625', 1, 2, 0, 6, 0 )
7359	ENDIF
7360
7361	ENDDO ! - within bins
7362
7363	END SUBROUTINE distr_update
7364
7365	!------------------------------------------------------------------------------!
7366	! Description:
7367	! ------------
7368	!> salsa_diagnostics: Update properties for the current timestep:
7369	!>
7370	!> Juha Tonttila, FMI, 2014
7371	!> Tomi Raatikainen, FMI, 2016
7372	!------------------------------------------------------------------------------!
7373	SUBROUTINE salsa_diagnostics( i, j )
7374
7375	USE cpulog, &
7376	ONLY: cpu_log, log_point_s
7377
7378	IMPLICIT NONE
7379
7380	INTEGER(iwp) :: ib !<
7381	INTEGER(iwp) :: ic !<
7382	INTEGER(iwp) :: icc !<
7383	INTEGER(iwp) :: ig !<
7384	INTEGER(iwp) :: k !<
7385
7386	INTEGER(iwp), INTENT(in) :: i !<
7387	INTEGER(iwp), INTENT(in) :: j !<
7388
7389	REAL(wp), DIMENSION(nzb:nzt+1) :: flag !< flag to mask topography
7390	REAL(wp), DIMENSION(nzb:nzt+1) :: flag_zddry !< flag to mask zddry
7391	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
7392	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure
7393	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
7394	REAL(wp), DIMENSION(nzb:nzt+1) :: mcsum !< sum of mass concentration
7395	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor: ppm to #/m3
7396	REAL(wp), DIMENSION(nzb:nzt+1) :: zddry !< particle dry diameter
7397	REAL(wp), DIMENSION(nzb:nzt+1) :: zvol !< particle volume
7398
7399	flag_zddry = 0.0_wp
7400	in_adn = 0.0_wp
7401	in_p = 0.0_wp
7402	in_t = 0.0_wp
7403	ppm_to_nconc = 1.0_wp
7404	zddry = 0.0_wp
7405	zvol = 0.0_wp
7406
7407	!$OMP MASTER
7408	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'start' )
7409	!$OMP END MASTER
7410
7411	!
7412	!-- Calculate thermodynamic quantities needed in SALSA
7413	CALL salsa_thrm_ij( i, j, p_ij=in_p, temp_ij=in_t, adn_ij=in_adn )
7414	!
7415	!-- Calculate conversion factors for gas concentrations
7416	ppm_to_nconc = for_ppm_to_nconc * in_p / in_t
7417	!
7418	!-- Predetermine flag to mask topography
7419	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(:,j,i), 0 ) )
7420
7421	DO ib = 1, nbins_aerosol ! aerosol size bins
7422	!
7423	!-- Remove negative values
7424	aerosol_number(ib)%conc(:,j,i) = MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) * flag
7425	!
7426	!-- Calculate total mass concentration per bin
7427	mcsum = 0.0_wp
7428	DO ic = 1, ncomponents_mass
7429	icc = ( ic - 1 ) * nbins_aerosol + ib
7430	mcsum = mcsum + aerosol_mass(icc)%conc(:,j,i) * flag
7431	aerosol_mass(icc)%conc(:,j,i) = MAX( mclim, aerosol_mass(icc)%conc(:,j,i) ) * flag
7432	ENDDO
7433	!
7434	!-- Check that number and mass concentration match qualitatively
7435	IF ( ANY( aerosol_number(ib)%conc(:,j,i) > nclim .AND. mcsum <= 0.0_wp ) ) THEN
7436	DO k = nzb+1, nzt
7437	IF ( aerosol_number(ib)%conc(k,j,i) >= nclim .AND. mcsum(k) <= 0.0_wp ) THEN
7438	aerosol_number(ib)%conc(k,j,i) = nclim * flag(k)
7439	DO ic = 1, ncomponents_mass
7440	icc = ( ic - 1 ) * nbins_aerosol + ib
7441	aerosol_mass(icc)%conc(k,j,i) = mclim * flag(k)
7442	ENDDO
7443	ENDIF
7444	ENDDO
7445	ENDIF
7446	!
7447	!-- Update aerosol particle radius
7448	CALL bin_mixrat( 'dry', ib, i, j, zvol )
7449	zvol = zvol / arhoh2so4 ! Why on sulphate?
7450	!
7451	!-- Particles smaller then 0.1 nm diameter are set to zero
7452	zddry = ( zvol / MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) / api6 )**0.33333333_wp
7453	flag_zddry = MERGE( 1.0_wp, 0.0_wp, ( zddry < 1.0E-10_wp .AND. &
7454	aerosol_number(ib)%conc(:,j,i) > nclim ) )
7455	!
7456	!-- Volatile species to the gas phase
7457	IF ( index_so4 > 0 .AND. lscndgas ) THEN
7458	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
7459	IF ( salsa_gases_from_chem ) THEN
7460	ig = gas_index_chem(1)
7461	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7462	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7463	( amh2so4 * ppm_to_nconc ) * flag
7464	ELSE
7465	salsa_gas(1)%conc(:,j,i) = salsa_gas(1)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7466	amh2so4 * avo * flag_zddry * flag
7467	ENDIF
7468	ENDIF
7469	IF ( index_oc > 0 .AND. lscndgas ) THEN
7470	ic = ( index_oc - 1 ) * nbins_aerosol + ib
7471	IF ( salsa_gases_from_chem ) THEN
7472	ig = gas_index_chem(5)
7473	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7474	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7475	( amoc * ppm_to_nconc ) * flag
7476	ELSE
7477	salsa_gas(5)%conc(:,j,i) = salsa_gas(5)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7478	amoc * avo * flag_zddry * flag
7479	ENDIF
7480	ENDIF
7481	IF ( index_no > 0 .AND. lscndgas ) THEN
7482	ic = ( index_no - 1 ) * nbins_aerosol + ib
7483	IF ( salsa_gases_from_chem ) THEN
7484	ig = gas_index_chem(2)
7485	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7486	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7487	( amhno3 * ppm_to_nconc ) *flag
7488	ELSE
7489	salsa_gas(2)%conc(:,j,i) = salsa_gas(2)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7490	amhno3 * avo * flag_zddry * flag
7491	ENDIF
7492	ENDIF
7493	IF ( index_nh > 0 .AND. lscndgas ) THEN
7494	ic = ( index_nh - 1 ) * nbins_aerosol + ib
7495	IF ( salsa_gases_from_chem ) THEN
7496	ig = gas_index_chem(3)
7497	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7498	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7499	( amnh3 * ppm_to_nconc ) *flag
7500	ELSE
7501	salsa_gas(3)%conc(:,j,i) = salsa_gas(3)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7502	amnh3 * avo * flag_zddry *flag
7503	ENDIF
7504	ENDIF
7505	!
7506	!-- Mass and number to zero (insoluble species and water are lost)
7507	DO ic = 1, ncomponents_mass
7508	icc = ( ic - 1 ) * nbins_aerosol + ib
7509	aerosol_mass(icc)%conc(:,j,i) = MERGE( mclim * flag, aerosol_mass(icc)%conc(:,j,i), &
7510	flag_zddry > 0.0_wp )
7511	ENDDO
7512	aerosol_number(ib)%conc(:,j,i) = MERGE( nclim * flag, aerosol_number(ib)%conc(:,j,i), &
7513	flag_zddry > 0.0_wp )
7514	ra_dry(:,j,i,ib) = MAX( 1.0E-10_wp, 0.5_wp * zddry )
7515
7516	ENDDO
7517	IF ( .NOT. salsa_gases_from_chem ) THEN
7518	DO ig = 1, ngases_salsa
7519	salsa_gas(ig)%conc(:,j,i) = MAX( nclim, salsa_gas(ig)%conc(:,j,i) ) * flag
7520	ENDDO
7521	ENDIF
7522
7523	!$OMP MASTER
7524	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'stop' )
7525	!$OMP END MASTER
7526
7527	END SUBROUTINE salsa_diagnostics
7528
7529
7530	!------------------------------------------------------------------------------!
7531	! Description:
7532	! ------------
7533	!> Call for all grid points
7534	!------------------------------------------------------------------------------!
7535	SUBROUTINE salsa_actions( location )
7536
7537
7538	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7539
7540	SELECT CASE ( location )
7541
7542	CASE ( 'before_timestep' )
7543
7544	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7545
7546	CASE DEFAULT
7547	CONTINUE
7548
7549	END SELECT
7550
7551	END SUBROUTINE salsa_actions
7552
7553
7554	!------------------------------------------------------------------------------!
7555	! Description:
7556	! ------------
7557	!> Call for grid points i,j
7558	!------------------------------------------------------------------------------!
7559
7560	SUBROUTINE salsa_actions_ij( i, j, location )
7561
7562
7563	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7564	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7565	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7566	INTEGER(iwp) :: dummy !< call location string
7567
7568	IF ( salsa ) dummy = i + j
7569
7570	SELECT CASE ( location )
7571
7572	CASE ( 'before_timestep' )
7573
7574	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7575
7576	CASE DEFAULT
7577	CONTINUE
7578
7579	END SELECT
7580
7581
7582	END SUBROUTINE salsa_actions_ij
7583
7584	!------------------------------------------------------------------------------!
7585	! Description:
7586	! ------------
7587	!> Call for all grid points
7588	!------------------------------------------------------------------------------!
7589	SUBROUTINE salsa_non_advective_processes
7590
7591	USE cpulog, &
7592	ONLY: cpu_log, log_point_s
7593
7594	IMPLICIT NONE
7595
7596	INTEGER(iwp) :: i !<
7597	INTEGER(iwp) :: j !<
7598
7599	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7600	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7601	!
7602	!-- Calculate aerosol dynamic processes. salsa_driver can be run with a longer time step.
7603	CALL cpu_log( log_point_s(90), 'salsa processes ', 'start' )
7604	DO i = nxl, nxr
7605	DO j = nys, nyn
7606	CALL salsa_diagnostics( i, j )
7607	CALL salsa_driver( i, j, 3 )
7608	CALL salsa_diagnostics( i, j )
7609	ENDDO
7610	ENDDO
7611	CALL cpu_log( log_point_s(90), 'salsa processes ', 'stop' )
7612	ENDIF
7613	ENDIF
7614
7615	END SUBROUTINE salsa_non_advective_processes
7616
7617
7618	!------------------------------------------------------------------------------!
7619	! Description:
7620	! ------------
7621	!> Call for grid points i,j
7622	!------------------------------------------------------------------------------!
7623	SUBROUTINE salsa_non_advective_processes_ij( i, j )
7624
7625	USE cpulog, &
7626	ONLY: cpu_log, log_point_s
7627
7628	IMPLICIT NONE
7629
7630	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7631	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7632
7633	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7634	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7635	!
7636	!-- Calculate aerosol dynamic processes. salsa_driver can be run with a longer time step.
7637	CALL cpu_log( log_point_s(90), 'salsa processes ', 'start' )
7638	CALL salsa_diagnostics( i, j )
7639	CALL salsa_driver( i, j, 3 )
7640	CALL salsa_diagnostics( i, j )
7641	CALL cpu_log( log_point_s(90), 'salsa processes ', 'stop' )
7642	ENDIF
7643	ENDIF
7644
7645	END SUBROUTINE salsa_non_advective_processes_ij
7646
7647	!------------------------------------------------------------------------------!
7648	! Description:
7649	! ------------
7650	!> Routine for exchange horiz of salsa variables.
7651	!------------------------------------------------------------------------------!
7652	SUBROUTINE salsa_exchange_horiz_bounds
7653
7654	USE cpulog, &
7655	ONLY: cpu_log, log_point_s
7656
7657	IMPLICIT NONE
7658
7659	INTEGER(iwp) :: ib !<
7660	INTEGER(iwp) :: ic !<
7661	INTEGER(iwp) :: icc !<
7662	INTEGER(iwp) :: ig !<
7663
7664	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7665	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7666
7667	CALL cpu_log( log_point_s(91), 'salsa exch-horiz ', 'start' )
7668	!
7669	!-- Exchange ghost points and decycle if needed.
7670	DO ib = 1, nbins_aerosol
7671	CALL exchange_horiz( aerosol_number(ib)%conc, nbgp )
7672	CALL salsa_boundary_conds( aerosol_number(ib)%conc, aerosol_number(ib)%init )
7673	DO ic = 1, ncomponents_mass
7674	icc = ( ic - 1 ) * nbins_aerosol + ib
7675	CALL exchange_horiz( aerosol_mass(icc)%conc, nbgp )
7676	CALL salsa_boundary_conds( aerosol_mass(icc)%conc, aerosol_mass(icc)%init )
7677	ENDDO
7678	ENDDO
7679	IF ( .NOT. salsa_gases_from_chem ) THEN
7680	DO ig = 1, ngases_salsa
7681	CALL exchange_horiz( salsa_gas(ig)%conc, nbgp )
7682	CALL salsa_boundary_conds( salsa_gas(ig)%conc, salsa_gas(ig)%init )
7683	ENDDO
7684	ENDIF
7685	CALL cpu_log( log_point_s(91), 'salsa exch-horiz ', 'stop' )
7686	!
7687	!-- Update last_salsa_time
7688	last_salsa_time = time_since_reference_point
7689	ENDIF
7690	ENDIF
7691
7692	END SUBROUTINE salsa_exchange_horiz_bounds
7693
7694	!------------------------------------------------------------------------------!
7695	! Description:
7696	! ------------
7697	!> Calculate the prognostic equation for aerosol number and mass, and gas
7698	!> concentrations. Cache-optimized.
7699	!------------------------------------------------------------------------------!
7700	SUBROUTINE salsa_prognostic_equations_ij( i, j, i_omp_start, tn )
7701
7702	IMPLICIT NONE
7703
7704	INTEGER(iwp) :: i !<
7705	INTEGER(iwp) :: i_omp_start !<
7706	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7707	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7708	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7709	INTEGER(iwp) :: ig !< loop index for salsa gases
7710	INTEGER(iwp) :: j !<
7711	INTEGER(iwp) :: tn !<
7712
7713	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7714	!
7715	!-- Aerosol number
7716	DO ib = 1, nbins_aerosol
7717	!kk sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7718	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7719	aerosol_number(ib)%tconc_m, i, j, i_omp_start, tn, ib, ib, &
7720	aerosol_number(ib)%flux_s, aerosol_number(ib)%diss_s, &
7721	aerosol_number(ib)%flux_l, aerosol_number(ib)%diss_l, &
7722	aerosol_number(ib)%init, .TRUE. )
7723	!kk aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7724	!
7725	!-- Aerosol mass
7726	DO ic = 1, ncomponents_mass
7727	icc = ( ic - 1 ) * nbins_aerosol + ib
7728	!kk sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7729	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7730	aerosol_mass(icc)%tconc_m, i, j, i_omp_start, tn, ib, ic, &
7731	aerosol_mass(icc)%flux_s, aerosol_mass(icc)%diss_s, &
7732	aerosol_mass(icc)%flux_l, aerosol_mass(icc)%diss_l, &
7733	aerosol_mass(icc)%init, .TRUE. )
7734	!kk aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7735
7736	ENDDO ! ic
7737	ENDDO ! ib
7738	!
7739	!-- Gases
7740	IF ( .NOT. salsa_gases_from_chem ) THEN
7741
7742	DO ig = 1, ngases_salsa
7743	!kk sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7744	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7745	salsa_gas(ig)%tconc_m, i, j, i_omp_start, tn, ig, ig, &
7746	salsa_gas(ig)%flux_s, salsa_gas(ig)%diss_s, salsa_gas(ig)%flux_l,&
7747	salsa_gas(ig)%diss_l, salsa_gas(ig)%init, .FALSE. )
7748	!kk salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7749
7750	ENDDO ! ig
7751
7752	ENDIF
7753
7754	ENDIF
7755
7756	END SUBROUTINE salsa_prognostic_equations_ij
7757	!
7758	!------------------------------------------------------------------------------!
7759	! Description:
7760	! ------------
7761	!> Calculate the prognostic equation for aerosol number and mass, and gas
7762	!> concentrations. For vector machines.
7763	!------------------------------------------------------------------------------!
7764	SUBROUTINE salsa_prognostic_equations()
7765
7766	IMPLICIT NONE
7767
7768	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7769	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7770	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7771	INTEGER(iwp) :: ig !< loop index for salsa gases
7772
7773	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7774	!
7775	!-- Aerosol number
7776	DO ib = 1, nbins_aerosol
7777	sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7778	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7779	aerosol_number(ib)%tconc_m, ib, ib, aerosol_number(ib)%init, .TRUE. )
7780	aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7781	!
7782	!-- Aerosol mass
7783	DO ic = 1, ncomponents_mass
7784	icc = ( ic - 1 ) * nbins_aerosol + ib
7785	sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7786	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7787	aerosol_mass(icc)%tconc_m, ib, ic, aerosol_mass(icc)%init, .TRUE. )
7788	aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7789
7790	ENDDO ! ic
7791	ENDDO ! ib
7792	!
7793	!-- Gases
7794	IF ( .NOT. salsa_gases_from_chem ) THEN
7795
7796	DO ig = 1, ngases_salsa
7797	sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7798	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7799	salsa_gas(ig)%tconc_m, ig, ig, salsa_gas(ig)%init, .FALSE. )
7800	salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7801
7802	ENDDO ! ig
7803
7804	ENDIF
7805
7806	ENDIF
7807
7808	END SUBROUTINE salsa_prognostic_equations
7809	!
7810	!------------------------------------------------------------------------------!
7811	! Description:
7812	! ------------
7813	!> Tendencies for aerosol number and mass and gas concentrations.
7814	!> Cache-optimized.
7815	!------------------------------------------------------------------------------!
7816	SUBROUTINE salsa_tendency_ij( id, rs_p, rs, trs_m, i, j, i_omp_start, tn, ib, ic, flux_s, diss_s, &
7817	flux_l, diss_l, rs_init, do_sedimentation )
7818
7819	USE advec_ws, &
7820	ONLY: advec_s_ws
7821
7822	USE advec_s_pw_mod, &
7823	ONLY: advec_s_pw
7824
7825	USE advec_s_up_mod, &
7826	ONLY: advec_s_up
7827
7828	USE arrays_3d, &
7829	ONLY: ddzu, rdf_sc, tend
7830
7831	USE diffusion_s_mod, &
7832	ONLY: diffusion_s
7833
7834	USE indices, &
7835	ONLY: wall_flags_0
7836
7837	USE surface_mod, &
7838	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7839
7840	IMPLICIT NONE
7841
7842	CHARACTER(LEN = *) :: id !<
7843
7844	INTEGER(iwp) :: i !<
7845	INTEGER(iwp) :: i_omp_start !<
7846	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7847	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7848	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7849	INTEGER(iwp) :: j !<
7850	INTEGER(iwp) :: k !<
7851	INTEGER(iwp) :: tn !<
7852
7853	LOGICAL :: do_sedimentation !<
7854
7855	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7856
7857	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s !<
7858	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s !<
7859
7860	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l !<
7861	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l !<
7862
7863	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: rs_p !<
7864	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: rs !<
7865	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: trs_m !<
7866
7867	icc = ( ic - 1 ) * nbins_aerosol + ib
7868	!
7869	!-- Tendency-terms for reactive scalar
7870	tend(:,j,i) = 0.0_wp
7871	!
7872	!-- Advection terms
7873	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7874	IF ( ws_scheme_sca ) THEN
7875	CALL advec_s_ws( salsa_advc_flags_s, i, j, rs, id, flux_s, diss_s, flux_l, diss_l, &
7876	i_omp_start, tn, bc_dirichlet_l .OR. bc_radiation_l, &
7877	bc_dirichlet_n .OR. bc_radiation_n, &
7878	bc_dirichlet_r .OR. bc_radiation_r, &
7879	bc_dirichlet_s .OR. bc_radiation_s, monotonic_limiter_z )
7880	ELSE
7881	CALL advec_s_pw( i, j, rs )
7882	ENDIF
7883	ELSE
7884	CALL advec_s_up( i, j, rs )
7885	ENDIF
7886	!
7887	!-- Diffusion terms
7888	SELECT CASE ( id )
7889	CASE ( 'aerosol_number' )
7890	CALL diffusion_s( i, j, rs, surf_def_h(0)%answs(:,ib), &
7891	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
7892	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
7893	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
7894	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
7895	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
7896	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
7897	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
7898	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
7899	CASE ( 'aerosol_mass' )
7900	CALL diffusion_s( i, j, rs, surf_def_h(0)%amsws(:,icc), &
7901	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
7902	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
7903	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
7904	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
7905	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
7906	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
7907	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
7908	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
7909	CASE ( 'salsa_gas' )
7910	CALL diffusion_s( i, j, rs, surf_def_h(0)%gtsws(:,ib), &
7911	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
7912	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
7913	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
7914	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
7915	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
7916	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
7917	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
7918	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
7919	END SELECT
7920	!
7921	!-- Sedimentation and prognostic equation for aerosol number and mass
7922	IF ( lsdepo .AND. do_sedimentation ) THEN
7923	!DIR$ IVDEP
7924	DO k = nzb+1, nzt
7925	tend(k,j,i) = tend(k,j,i) - MAX( 0.0_wp, ( rs(k+1,j,i) * sedim_vd(k+1,j,i,ib) - &
7926	rs(k,j,i) * sedim_vd(k,j,i,ib) ) * ddzu(k) ) &
7927	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k-1,j,i), 0 ) )
7928	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7929	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) ) &
7930	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7931	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7932	ENDDO
7933	ELSE
7934	!
7935	!-- Prognostic equation
7936	!DIR$ IVDEP
7937	DO k = nzb+1, nzt
7938	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7939	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) )&
7940	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7941	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7942	ENDDO
7943	ENDIF
7944	!
7945	!-- Calculate tendencies for the next Runge-Kutta step
7946	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7947	IF ( intermediate_timestep_count == 1 ) THEN
7948	DO k = nzb+1, nzt
7949	trs_m(k,j,i) = tend(k,j,i)
7950	ENDDO
7951	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
7952	DO k = nzb+1, nzt
7953	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
7954	ENDDO
7955	ENDIF
7956	ENDIF
7957
7958	END SUBROUTINE salsa_tendency_ij
7959	!
7960	!------------------------------------------------------------------------------!
7961	! Description:
7962	! ------------
7963	!> Calculate the tendencies for aerosol number and mass concentrations.
7964	!> For vector machines.
7965	!------------------------------------------------------------------------------!
7966	SUBROUTINE salsa_tendency( id, rs_p, rs, trs_m, ib, ic, rs_init, do_sedimentation )
7967
7968	USE advec_ws, &
7969	ONLY: advec_s_ws
7970	USE advec_s_pw_mod, &
7971	ONLY: advec_s_pw
7972	USE advec_s_up_mod, &
7973	ONLY: advec_s_up
7974	USE arrays_3d, &
7975	ONLY: ddzu, rdf_sc, tend
7976	USE diffusion_s_mod, &
7977	ONLY: diffusion_s
7978	USE indices, &
7979	ONLY: wall_flags_0
7980	USE surface_mod, &
7981	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7982
7983	IMPLICIT NONE
7984
7985	CHARACTER(LEN = *) :: id
7986
7987	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7988	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7989	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7990	INTEGER(iwp) :: i !<
7991	INTEGER(iwp) :: j !<
7992	INTEGER(iwp) :: k !<
7993
7994	LOGICAL :: do_sedimentation !<
7995
7996	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7997
7998	REAL(wp), DIMENSION(:,:,:), POINTER :: rs_p !<
7999	REAL(wp), DIMENSION(:,:,:), POINTER :: rs !<
8000	REAL(wp), DIMENSION(:,:,:), POINTER :: trs_m !<
8001
8002	icc = ( ic - 1 ) * nbins_aerosol + ib
8003	!
8004	!-- Tendency-terms for reactive scalar
8005	tend = 0.0_wp
8006	!
8007	!-- Advection terms
8008	IF ( timestep_scheme(1:5) == 'runge' ) THEN
8009	IF ( ws_scheme_sca ) THEN
8010	CALL advec_s_ws( salsa_advc_flags_s, rs, id, bc_dirichlet_l .OR. bc_radiation_l, &
8011	bc_dirichlet_n .OR. bc_radiation_n, &
8012	bc_dirichlet_r .OR. bc_radiation_r, &
8013	bc_dirichlet_s .OR. bc_radiation_s )
8014	ELSE
8015	CALL advec_s_pw( rs )
8016	ENDIF
8017	ELSE
8018	CALL advec_s_up( rs )
8019	ENDIF
8020	!
8021	!-- Diffusion terms
8022	SELECT CASE ( id )
8023	CASE ( 'aerosol_number' )
8024	CALL diffusion_s( rs, surf_def_h(0)%answs(:,ib), &
8025	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
8026	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
8027	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
8028	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
8029	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
8030	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
8031	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
8032	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
8033	CASE ( 'aerosol_mass' )
8034	CALL diffusion_s( rs, surf_def_h(0)%amsws(:,icc), &
8035	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
8036	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
8037	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
8038	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
8039	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
8040	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
8041	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
8042	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
8043	CASE ( 'salsa_gas' )
8044	CALL diffusion_s( rs, surf_def_h(0)%gtsws(:,ib), &
8045	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
8046	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
8047	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
8048	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
8049	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
8050	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
8051	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
8052	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
8053	END SELECT
8054	!
8055	!-- Prognostic equation for a scalar
8056	DO i = nxl, nxr
8057	DO j = nys, nyn
8058	!
8059	!-- Sedimentation for aerosol number and mass
8060	IF ( lsdepo .AND. do_sedimentation ) THEN
8061	tend(nzb+1:nzt,j,i) = tend(nzb+1:nzt,j,i) - MAX( 0.0_wp, ( rs(nzb+2:nzt+1,j,i) * &
8062	sedim_vd(nzb+2:nzt+1,j,i,ib) - rs(nzb+1:nzt,j,i) * &
8063	sedim_vd(nzb+1:nzt,j,i,ib) ) * ddzu(nzb+1:nzt) ) * &
8064	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(nzb:nzt-1,j,i), 0 ) )
8065	ENDIF
8066	DO k = nzb+1, nzt
8067	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) )&
8068	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) )&
8069	) * MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8070	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
8071	ENDDO
8072	ENDDO
8073	ENDDO
8074	!
8075	!-- Calculate tendencies for the next Runge-Kutta step
8076	IF ( timestep_scheme(1:5) == 'runge' ) THEN
8077	IF ( intermediate_timestep_count == 1 ) THEN
8078	DO i = nxl, nxr
8079	DO j = nys, nyn
8080	DO k = nzb+1, nzt
8081	trs_m(k,j,i) = tend(k,j,i)
8082	ENDDO
8083	ENDDO
8084	ENDDO
8085	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
8086	DO i = nxl, nxr
8087	DO j = nys, nyn
8088	DO k = nzb+1, nzt
8089	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
8090	ENDDO
8091	ENDDO
8092	ENDDO
8093	ENDIF
8094	ENDIF
8095
8096	END SUBROUTINE salsa_tendency
8097
8098
8099	!------------------------------------------------------------------------------!
8100	! Description:
8101	! ------------
8102	!> Boundary conditions for prognostic variables in SALSA from module interface
8103	!------------------------------------------------------------------------------!
8104	SUBROUTINE salsa_boundary_conditions
8105
8106	IMPLICIT NONE
8107
8108	INTEGER(iwp) :: ib !< index for aerosol size bins
8109	INTEGER(iwp) :: ic !< index for aerosol mass bins
8110	INTEGER(iwp) :: icc !< additional index for aerosol mass bins
8111	INTEGER(iwp) :: ig !< index for salsa gases
8112
8113
8114	!
8115	!-- moved from boundary_conds
8116	CALL salsa_boundary_conds
8117	!
8118	!-- Boundary conditions for prognostic quantitites of other modules:
8119	!-- Here, only decycling is carried out
8120	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8121
8122	DO ib = 1, nbins_aerosol
8123	CALL salsa_boundary_conds( aerosol_number(ib)%conc_p, aerosol_number(ib)%init )
8124	DO ic = 1, ncomponents_mass
8125	icc = ( ic - 1 ) * nbins_aerosol + ib
8126	CALL salsa_boundary_conds( aerosol_mass(icc)%conc_p, aerosol_mass(icc)%init )
8127	ENDDO
8128	ENDDO
8129	IF ( .NOT. salsa_gases_from_chem ) THEN
8130	DO ig = 1, ngases_salsa
8131	CALL salsa_boundary_conds( salsa_gas(ig)%conc_p, salsa_gas(ig)%init )
8132	ENDDO
8133	ENDIF
8134
8135	ENDIF
8136
8137	END SUBROUTINE salsa_boundary_conditions
8138
8139	!------------------------------------------------------------------------------!
8140	! Description:
8141	! ------------
8142	!> Boundary conditions for prognostic variables in SALSA
8143	!------------------------------------------------------------------------------!
8144	SUBROUTINE salsa_boundary_conds
8145
8146	USE arrays_3d, &
8147	ONLY: dzu
8148
8149	USE surface_mod, &
8150	ONLY : bc_h
8151
8152	IMPLICIT NONE
8153
8154	INTEGER(iwp) :: i !< grid index x direction
8155	INTEGER(iwp) :: ib !< index for aerosol size bins
8156	INTEGER(iwp) :: ic !< index for chemical compounds in aerosols
8157	INTEGER(iwp) :: icc !< additional index for chemical compounds in aerosols
8158	INTEGER(iwp) :: ig !< idex for gaseous compounds
8159	INTEGER(iwp) :: j !< grid index y direction
8160	INTEGER(iwp) :: k !< grid index y direction
8161	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls
8162	INTEGER(iwp) :: m !< running index surface elements
8163
8164	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8165	!
8166	!-- Surface conditions:
8167	IF ( ibc_salsa_b == 0 ) THEN ! Dirichlet
8168	!
8169	!-- Run loop over all non-natural and natural walls. Note, in wall-datatype the k coordinate
8170	!-- belongs to the atmospheric grid point, therefore, set s_p at k-1
8171	DO l = 0, 1
8172	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
8173	!$OMP DO
8174	DO m = 1, bc_h(l)%ns
8175
8176	i = bc_h(l)%i(m)
8177	j = bc_h(l)%j(m)
8178	k = bc_h(l)%k(m)
8179
8180	DO ib = 1, nbins_aerosol
8181	aerosol_number(ib)%conc_p(k+bc_h(l)%koff,j,i) = &
8182	aerosol_number(ib)%conc(k+bc_h(l)%koff,j,i)
8183	DO ic = 1, ncomponents_mass
8184	icc = ( ic - 1 ) * nbins_aerosol + ib
8185	aerosol_mass(icc)%conc_p(k+bc_h(l)%koff,j,i) = &
8186	aerosol_mass(icc)%conc(k+bc_h(l)%koff,j,i)
8187	ENDDO
8188	ENDDO
8189	IF ( .NOT. salsa_gases_from_chem ) THEN
8190	DO ig = 1, ngases_salsa
8191	salsa_gas(ig)%conc_p(k+bc_h(l)%koff,j,i) = &
8192	salsa_gas(ig)%conc(k+bc_h(l)%koff,j,i)
8193	ENDDO
8194	ENDIF
8195
8196	ENDDO
8197	!$OMP END PARALLEL
8198
8199	ENDDO
8200
8201	ELSE ! Neumann
8202
8203	DO l = 0, 1
8204	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
8205	!$OMP DO
8206	DO m = 1, bc_h(l)%ns
8207
8208	i = bc_h(l)%i(m)
8209	j = bc_h(l)%j(m)
8210	k = bc_h(l)%k(m)
8211
8212	DO ib = 1, nbins_aerosol
8213	aerosol_number(ib)%conc_p(k+bc_h(l)%koff,j,i) = &
8214	aerosol_number(ib)%conc_p(k,j,i)
8215	DO ic = 1, ncomponents_mass
8216	icc = ( ic - 1 ) * nbins_aerosol + ib
8217	aerosol_mass(icc)%conc_p(k+bc_h(l)%koff,j,i) = &
8218	aerosol_mass(icc)%conc_p(k,j,i)
8219	ENDDO
8220	ENDDO
8221	IF ( .NOT. salsa_gases_from_chem ) THEN
8222	DO ig = 1, ngases_salsa
8223	salsa_gas(ig)%conc_p(k+bc_h(l)%koff,j,i) = &
8224	salsa_gas(ig)%conc_p(k,j,i)
8225	ENDDO
8226	ENDIF
8227
8228	ENDDO
8229	!$OMP END PARALLEL
8230	ENDDO
8231
8232	ENDIF
8233	!
8234	!-- Top boundary conditions:
8235	IF ( ibc_salsa_t == 0 ) THEN ! Dirichlet
8236
8237	DO ib = 1, nbins_aerosol
8238	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc(nzt+1,:,:)
8239	DO ic = 1, ncomponents_mass
8240	icc = ( ic - 1 ) * nbins_aerosol + ib
8241	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc(nzt+1,:,:)
8242	ENDDO
8243	ENDDO
8244	IF ( .NOT. salsa_gases_from_chem ) THEN
8245	DO ig = 1, ngases_salsa
8246	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc(nzt+1,:,:)
8247	ENDDO
8248	ENDIF
8249
8250	ELSEIF ( ibc_salsa_t == 1 ) THEN ! Neumann
8251
8252	DO ib = 1, nbins_aerosol
8253	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:)
8254	DO ic = 1, ncomponents_mass
8255	icc = ( ic - 1 ) * nbins_aerosol + ib
8256	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:)
8257	ENDDO
8258	ENDDO
8259	IF ( .NOT. salsa_gases_from_chem ) THEN
8260	DO ig = 1, ngases_salsa
8261	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:)
8262	ENDDO
8263	ENDIF
8264
8265	ELSEIF ( ibc_salsa_t == 2 ) THEN ! Initial gradient
8266
8267	DO ib = 1, nbins_aerosol
8268	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:) + &
8269	bc_an_t_val(ib) * dzu(nzt+1)
8270	DO ic = 1, ncomponents_mass
8271	icc = ( ic - 1 ) * nbins_aerosol + ib
8272	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:) + &
8273	bc_am_t_val(icc) * dzu(nzt+1)
8274	ENDDO
8275	ENDDO
8276	IF ( .NOT. salsa_gases_from_chem ) THEN
8277	DO ig = 1, ngases_salsa
8278	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:) + &
8279	bc_gt_t_val(ig) * dzu(nzt+1)
8280	ENDDO
8281	ENDIF
8282
8283	ENDIF
8284	!
8285	!-- Lateral boundary conditions at the outflow
8286	IF ( bc_radiation_s ) THEN
8287	DO ib = 1, nbins_aerosol
8288	aerosol_number(ib)%conc_p(:,nys-1,:) = aerosol_number(ib)%conc_p(:,nys,:)
8289	DO ic = 1, ncomponents_mass
8290	icc = ( ic - 1 ) * nbins_aerosol + ib
8291	aerosol_mass(icc)%conc_p(:,nys-1,:) = aerosol_mass(icc)%conc_p(:,nys,:)
8292	ENDDO
8293	ENDDO
8294	IF ( .NOT. salsa_gases_from_chem ) THEN
8295	DO ig = 1, ngases_salsa
8296	salsa_gas(ig)%conc_p(:,nys-1,:) = salsa_gas(ig)%conc_p(:,nys,:)
8297	ENDDO
8298	ENDIF
8299
8300	ELSEIF ( bc_radiation_n ) THEN
8301	DO ib = 1, nbins_aerosol
8302	aerosol_number(ib)%conc_p(:,nyn+1,:) = aerosol_number(ib)%conc_p(:,nyn,:)
8303	DO ic = 1, ncomponents_mass
8304	icc = ( ic - 1 ) * nbins_aerosol + ib
8305	aerosol_mass(icc)%conc_p(:,nyn+1,:) = aerosol_mass(icc)%conc_p(:,nyn,:)
8306	ENDDO
8307	ENDDO
8308	IF ( .NOT. salsa_gases_from_chem ) THEN
8309	DO ig = 1, ngases_salsa
8310	salsa_gas(ig)%conc_p(:,nyn+1,:) = salsa_gas(ig)%conc_p(:,nyn,:)
8311	ENDDO
8312	ENDIF
8313
8314	ELSEIF ( bc_radiation_l ) THEN
8315	DO ib = 1, nbins_aerosol
8316	aerosol_number(ib)%conc_p(:,:,nxl-1) = aerosol_number(ib)%conc_p(:,:,nxl)
8317	DO ic = 1, ncomponents_mass
8318	icc = ( ic - 1 ) * nbins_aerosol + ib
8319	aerosol_mass(icc)%conc_p(:,:,nxl-1) = aerosol_mass(icc)%conc_p(:,:,nxl)
8320	ENDDO
8321	ENDDO
8322	IF ( .NOT. salsa_gases_from_chem ) THEN
8323	DO ig = 1, ngases_salsa
8324	salsa_gas(ig)%conc_p(:,:,nxl-1) = salsa_gas(ig)%conc_p(:,:,nxl)
8325	ENDDO
8326	ENDIF
8327
8328	ELSEIF ( bc_radiation_r ) THEN
8329	DO ib = 1, nbins_aerosol
8330	aerosol_number(ib)%conc_p(:,:,nxr+1) = aerosol_number(ib)%conc_p(:,:,nxr)
8331	DO ic = 1, ncomponents_mass
8332	icc = ( ic - 1 ) * nbins_aerosol + ib
8333	aerosol_mass(icc)%conc_p(:,:,nxr+1) = aerosol_mass(icc)%conc_p(:,:,nxr)
8334	ENDDO
8335	ENDDO
8336	IF ( .NOT. salsa_gases_from_chem ) THEN
8337	DO ig = 1, ngases_salsa
8338	salsa_gas(ig)%conc_p(:,:,nxr+1) = salsa_gas(ig)%conc_p(:,:,nxr)
8339	ENDDO
8340	ENDIF
8341
8342	ENDIF
8343
8344	ENDIF
8345
8346	END SUBROUTINE salsa_boundary_conds
8347
8348	!------------------------------------------------------------------------------!
8349	! Description:
8350	! ------------
8351	! Undoing of the previously done cyclic boundary conditions.
8352	!------------------------------------------------------------------------------!
8353	SUBROUTINE salsa_boundary_conds_decycle ( sq, sq_init )
8354
8355	USE control_parameters, &
8356	ONLY: nesting_offline
8357
8358	IMPLICIT NONE
8359
8360	INTEGER(iwp) :: boundary !<
8361	INTEGER(iwp) :: ee !<
8362	INTEGER(iwp) :: copied !<
8363	INTEGER(iwp) :: i !<
8364	INTEGER(iwp) :: j !<
8365	INTEGER(iwp) :: k !<
8366	INTEGER(iwp) :: ss !<
8367
8368	REAL(wp) :: flag !< flag to mask topography grid points
8369
8370	REAL(wp), DIMENSION(nzb:nzt+1) :: sq_init !< initial concentration profile
8371
8372	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: sq !< concentration array
8373
8374	flag = 0.0_wp
8375	!
8376	!-- Skip input if forcing from a larger-scale models is applied.
8377	IF ( nesting_offline .AND. nesting_offline_salsa ) RETURN
8378	!
8379	!-- Left and right boundaries
8380	IF ( decycle_salsa_lr .AND. ( bc_lr_cyc .OR. bc_lr == 'nested' ) ) THEN
8381
8382	DO boundary = 1, 2
8383
8384	IF ( decycle_method_salsa(boundary) == 'dirichlet' ) THEN
8385	!
8386	!-- Initial profile is copied to ghost and first three layers
8387	ss = 1
8388	ee = 0
8389	IF ( boundary == 1 .AND. nxl == 0 ) THEN
8390	ss = nxlg
8391	ee = nxl-1
8392	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
8393	ss = nxr+1
8394	ee = nxrg
8395	ENDIF
8396
8397	DO i = ss, ee
8398	DO j = nysg, nyng
8399	DO k = nzb+1, nzt
8400	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8401	sq(k,j,i) = sq_init(k) * flag
8402	ENDDO
8403	ENDDO
8404	ENDDO
8405
8406	ELSEIF ( decycle_method_salsa(boundary) == 'neumann' ) THEN
8407	!
8408	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
8409	!-- zero gradient
8410	ss = 1
8411	ee = 0
8412	IF ( boundary == 1 .AND. nxl == 0 ) THEN
8413	ss = nxlg
8414	ee = nxl-1
8415	copied = nxl
8416	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
8417	ss = nxr+1
8418	ee = nxrg
8419	copied = nxr
8420	ENDIF
8421
8422	DO i = ss, ee
8423	DO j = nysg, nyng
8424	DO k = nzb+1, nzt
8425	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8426	sq(k,j,i) = sq(k,j,copied) * flag
8427	ENDDO
8428	ENDDO
8429	ENDDO
8430
8431	ELSE
8432	WRITE(message_string,*) 'unknown decycling method: decycle_method_salsa (', boundary, &
8433	') ="' // TRIM( decycle_method_salsa(boundary) ) // '"'
8434	CALL message( 'salsa_boundary_conds_decycle', 'PA0626', 1, 2, 0, 6, 0 )
8435	ENDIF
8436	ENDDO
8437	ENDIF
8438
8439	!
8440	!-- South and north boundaries
8441	IF ( decycle_salsa_ns .AND. ( bc_ns_cyc .OR. bc_ns == 'nested' ) ) THEN
8442
8443	DO boundary = 3, 4
8444
8445	IF ( decycle_method_salsa(boundary) == 'dirichlet' ) THEN
8446	!
8447	!-- Initial profile is copied to ghost and first three layers
8448	ss = 1
8449	ee = 0
8450	IF ( boundary == 3 .AND. nys == 0 ) THEN
8451	ss = nysg
8452	ee = nys-1
8453	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
8454	ss = nyn+1
8455	ee = nyng
8456	ENDIF
8457
8458	DO i = nxlg, nxrg
8459	DO j = ss, ee
8460	DO k = nzb+1, nzt
8461	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8462	sq(k,j,i) = sq_init(k) * flag
8463	ENDDO
8464	ENDDO
8465	ENDDO
8466
8467	ELSEIF ( decycle_method_salsa(boundary) == 'neumann' ) THEN
8468	!
8469	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
8470	!-- zero gradient
8471	ss = 1
8472	ee = 0
8473	IF ( boundary == 3 .AND. nys == 0 ) THEN
8474	ss = nysg
8475	ee = nys-1
8476	copied = nys
8477	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
8478	ss = nyn+1
8479	ee = nyng
8480	copied = nyn
8481	ENDIF
8482
8483	DO i = nxlg, nxrg
8484	DO j = ss, ee
8485	DO k = nzb+1, nzt
8486	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8487	sq(k,j,i) = sq(k,copied,i) * flag
8488	ENDDO
8489	ENDDO
8490	ENDDO
8491
8492	ELSE
8493	WRITE(message_string,*) 'unknown decycling method: decycle_method_salsa (', boundary, &
8494	') ="' // TRIM( decycle_method_salsa(boundary) ) // '"'
8495	CALL message( 'salsa_boundary_conds_decycle', 'PA0627', 1, 2, 0, 6, 0 )
8496	ENDIF
8497	ENDDO
8498	ENDIF
8499
8500	END SUBROUTINE salsa_boundary_conds_decycle
8501
8502	!------------------------------------------------------------------------------!
8503	! Description:
8504	! ------------
8505	!> Calculates the total dry or wet mass concentration for individual bins
8506	!> Juha Tonttila (FMI) 2015
8507	!> Tomi Raatikainen (FMI) 2016
8508	!------------------------------------------------------------------------------!
8509	SUBROUTINE bin_mixrat( itype, ibin, i, j, mconc )
8510
8511	IMPLICIT NONE
8512
8513	CHARACTER(len=*), INTENT(in) :: itype !< 'dry' or 'wet'
8514
8515	INTEGER(iwp) :: ic !< loop index for mass bin number
8516	INTEGER(iwp) :: iend !< end index: include water or not
8517
8518	INTEGER(iwp), INTENT(in) :: ibin !< index of the chemical component
8519	INTEGER(iwp), INTENT(in) :: i !< loop index for x-direction
8520	INTEGER(iwp), INTENT(in) :: j !< loop index for y-direction
8521
8522	REAL(wp), DIMENSION(:), INTENT(out) :: mconc !< total dry or wet mass concentration
8523
8524	!-- Number of components
8525	IF ( itype == 'dry' ) THEN
8526	iend = prtcl%ncomp - 1
8527	ELSE IF ( itype == 'wet' ) THEN
8528	iend = prtcl%ncomp
8529	ELSE
8530	message_string = 'Error in itype!'
8531	CALL message( 'bin_mixrat', 'PA0628', 2, 2, 0, 6, 0 )
8532	ENDIF
8533
8534	mconc = 0.0_wp
8535
8536	DO ic = ibin, iend*nbins_aerosol+ibin, nbins_aerosol !< every nbins'th element
8537	mconc = mconc + aerosol_mass(ic)%conc(:,j,i)
8538	ENDDO
8539
8540	END SUBROUTINE bin_mixrat
8541
8542	!------------------------------------------------------------------------------!
8543	! Description:
8544	! ------------
8545	!> Sets surface fluxes
8546	!------------------------------------------------------------------------------!
8547	SUBROUTINE salsa_emission_update
8548
8549	USE palm_date_time_mod, &
8550	ONLY: get_date_time
8551
8552	IMPLICIT NONE
8553
8554	IF ( include_emission ) THEN
8555
8556	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8557	!
8558	!-- Get time_utc_init from origin_date_time
8559	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
8560
8561	IF ( next_aero_emission_update <= &
8562	MAX( time_since_reference_point, 0.0_wp ) + time_utc_init ) THEN
8563	CALL salsa_emission_setup( .FALSE. )
8564	ENDIF
8565
8566	IF ( next_gas_emission_update <= &
8567	MAX( time_since_reference_point, 0.0_wp ) + time_utc_init ) THEN
8568	IF ( salsa_emission_mode == 'read_from_file' .AND. .NOT. salsa_gases_from_chem ) &
8569	THEN
8570	CALL salsa_gas_emission_setup( .FALSE. )
8571	ENDIF
8572	ENDIF
8573
8574	ENDIF
8575	ENDIF
8576
8577	END SUBROUTINE salsa_emission_update
8578
8579	!------------------------------------------------------------------------------!
8580	!> Description:
8581	!> ------------
8582	!> Define aerosol fluxes: constant or read from a from file
8583	!> @todo - Emission stack height is not used yet. For default mode, emissions
8584	!> are assumed to occur on upward facing horizontal surfaces.
8585	!------------------------------------------------------------------------------!
8586	SUBROUTINE salsa_emission_setup( init )
8587
8588	USE netcdf_data_input_mod, &
8589	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
8590	inquire_num_variables, inquire_variable_names, &
8591	get_dimension_length, open_read_file, street_type_f
8592
8593	USE palm_date_time_mod, &
8594	ONLY: days_per_week, get_date_time, hours_per_day, months_per_year, seconds_per_hour
8595
8596	USE surface_mod, &
8597	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
8598
8599	IMPLICIT NONE
8600
8601	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
8602	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
8603	CHARACTER(LEN=25) :: mod_name !< name in the input file
8604
8605	INTEGER(iwp) :: day_of_month !< day of the month
8606	INTEGER(iwp) :: day_of_week !< day of the week
8607	INTEGER(iwp) :: day_of_year !< day of the year
8608	INTEGER(iwp) :: hour_of_day !< hour of the day
8609	INTEGER(iwp) :: i !< loop index
8610	INTEGER(iwp) :: ib !< loop index: aerosol number bins
8611	INTEGER(iwp) :: ic !< loop index: aerosol chemical components
8612	INTEGER(iwp) :: id_salsa !< NetCDF id of aerosol emission input file
8613	INTEGER(iwp) :: in !< loop index: emission category
8614	INTEGER(iwp) :: index_dd !< index day
8615	INTEGER(iwp) :: index_hh !< index hour
8616	INTEGER(iwp) :: index_mm !< index month
8617	INTEGER(iwp) :: inn !< loop index
8618	INTEGER(iwp) :: j !< loop index
8619	INTEGER(iwp) :: month_of_year !< month of the year
8620	INTEGER(iwp) :: ss !< loop index
8621
8622	INTEGER(iwp), DIMENSION(maxspec) :: cc_i2m !<
8623
8624	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
8625
8626	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
8627
8628	REAL(wp) :: second_of_day !< second of the day
8629
8630	REAL(wp), DIMENSION(24) :: par_emis_time_factor = & !< time factors for the parameterized mode
8631	(/ 0.009, 0.004, 0.004, 0.009, 0.029, 0.039, &
8632	0.056, 0.053, 0.051, 0.051, 0.052, 0.055, &
8633	0.059, 0.061, 0.064, 0.067, 0.069, 0.069, &
8634	0.049, 0.039, 0.039, 0.029, 0.024, 0.019 /)
8635
8636	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect_emission !< sectional number emission
8637
8638	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: source_array !< temporary source array
8639
8640	!
8641	!-- Define emissions:
8642	SELECT CASE ( salsa_emission_mode )
8643
8644	CASE ( 'uniform', 'parameterized' )
8645
8646	IF ( init ) THEN ! Do only once
8647	!
8648	!- Form a sectional size distribution for the emissions
8649	ALLOCATE( nsect_emission(1:nbins_aerosol), &
8650	source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8651	!
8652	!-- Precalculate a size distribution for the emission based on the mean diameter, standard
8653	!-- deviation and number concentration per each log-normal mode
8654	CALL size_distribution( surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
8655	nsect_emission )
8656	IF ( salsa_emission_mode == 'uniform' ) THEN
8657	DO ib = 1, nbins_aerosol
8658	source_array(:,:,ib) = nsect_emission(ib)
8659	ENDDO
8660	ELSE
8661	!
8662	!-- Get a time factor for the specific hour
8663	IF ( .NOT. ALLOCATED( aero_emission_att%time_factor ) ) &
8664	ALLOCATE( aero_emission_att%time_factor(1) )
8665	CALL get_date_time( MAX( time_since_reference_point, 0.0_wp ), hour=hour_of_day )
8666	index_hh = hour_of_day
8667	aero_emission_att%time_factor(1) = par_emis_time_factor(index_hh+1)
8668
8669	IF ( street_type_f%from_file ) THEN
8670	DO i = nxl, nxr
8671	DO j = nys, nyn
8672	IF ( street_type_f%var(j,i) >= main_street_id .AND. &
8673	street_type_f%var(j,i) < max_street_id ) THEN
8674	source_array(j,i,:) = nsect_emission(:) * emiss_factor_main * &
8675	aero_emission_att%time_factor(1)
8676	ELSEIF ( street_type_f%var(j,i) >= side_street_id .AND. &
8677	street_type_f%var(j,i) < main_street_id ) THEN
8678	source_array(j,i,:) = nsect_emission(:) * emiss_factor_side * &
8679	aero_emission_att%time_factor(1)
8680	ENDIF
8681	ENDDO
8682	ENDDO
8683	ELSE
8684	WRITE( message_string, * ) 'salsa_emission_mode = "parameterized" but the '// &
8685	'street_type data is missing.'
8686	CALL message( 'salsa_emission_setup', 'PA0661', 1, 2, 0, 6, 0 )
8687	ENDIF
8688	ENDIF
8689	!
8690	!-- Check which chemical components are used
8691	cc_i2m = 0
8692	IF ( index_so4 > 0 ) cc_i2m(1) = index_so4
8693	IF ( index_oc > 0 ) cc_i2m(2) = index_oc
8694	IF ( index_bc > 0 ) cc_i2m(3) = index_bc
8695	IF ( index_du > 0 ) cc_i2m(4) = index_du
8696	IF ( index_ss > 0 ) cc_i2m(5) = index_ss
8697	IF ( index_no > 0 ) cc_i2m(6) = index_no
8698	IF ( index_nh > 0 ) cc_i2m(7) = index_nh
8699	!
8700	!-- Normalise mass fractions so that their sum is 1
8701	aerosol_flux_mass_fracs_a = aerosol_flux_mass_fracs_a / &
8702	SUM( aerosol_flux_mass_fracs_a(1:ncc ) )
8703	IF ( salsa_emission_mode == 'uniform' ) THEN
8704	!
8705	!-- Set uniform fluxes of default horizontal surfaces
8706	CALL set_flux( surf_def_h(0), cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8707	ELSE
8708	!
8709	!-- Set fluxes normalised based on the street type on land surfaces
8710	CALL set_flux( surf_lsm_h, cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8711	ENDIF
8712
8713	DEALLOCATE( nsect_emission, source_array )
8714	ENDIF
8715
8716	CASE ( 'read_from_file' )
8717	!
8718	!-- Reset surface fluxes
8719	surf_def_h(0)%answs = 0.0_wp
8720	surf_def_h(0)%amsws = 0.0_wp
8721	surf_lsm_h%answs = 0.0_wp
8722	surf_lsm_h%amsws = 0.0_wp
8723	surf_usm_h%answs = 0.0_wp
8724	surf_usm_h%amsws = 0.0_wp
8725
8726	!
8727	!-- Reset source arrays:
8728	DO ib = 1, nbins_aerosol
8729	aerosol_number(ib)%source = 0.0_wp
8730	ENDDO
8731
8732	DO ic = 1, ncomponents_mass * nbins_aerosol
8733	aerosol_mass(ic)%source = 0.0_wp
8734	ENDDO
8735
8736	#if defined( __netcdf )
8737	!
8738	!-- Check existence of PIDS_SALSA file
8739	INQUIRE( FILE = TRIM( input_file_salsa ) // TRIM( coupling_char ), EXIST = netcdf_extend )
8740	IF ( .NOT. netcdf_extend ) THEN
8741	message_string = 'Input file '// TRIM( input_file_salsa ) // TRIM( coupling_char )&
8742	// ' missing!'
8743	CALL message( 'salsa_emission_setup', 'PA0629', 1, 2, 0, 6, 0 )
8744	ENDIF
8745	!
8746	!-- Open file in read-only mode
8747	CALL open_read_file( TRIM( input_file_salsa ) // TRIM( coupling_char ), id_salsa )
8748
8749	IF ( init ) THEN
8750	!
8751	!-- Variable names
8752	CALL inquire_num_variables( id_salsa, aero_emission_att%num_vars )
8753	ALLOCATE( aero_emission_att%var_names(1:aero_emission_att%num_vars) )
8754	CALL inquire_variable_names( id_salsa, aero_emission_att%var_names )
8755	!
8756	!-- Read the index and name of chemical components
8757	CALL get_dimension_length( id_salsa, aero_emission_att%ncc, 'composition_index' )
8758	ALLOCATE( aero_emission_att%cc_index(1:aero_emission_att%ncc) )
8759	CALL get_variable( id_salsa, 'composition_index', aero_emission_att%cc_index )
8760
8761	IF ( check_existence( aero_emission_att%var_names, 'composition_name' ) ) THEN
8762	CALL get_variable( id_salsa, 'composition_name', aero_emission_att%cc_name, &
8763	aero_emission_att%ncc )
8764	ELSE
8765	message_string = 'Missing composition_name in ' // TRIM( input_file_salsa )
8766	CALL message( 'salsa_emission_setup', 'PA0657', 1, 2, 0, 6, 0 )
8767	ENDIF
8768	!
8769	!-- Find the corresponding chemical components in the model
8770	aero_emission_att%cc_in2mod = 0
8771	DO ic = 1, aero_emission_att%ncc
8772	in_name = aero_emission_att%cc_name(ic)
8773	SELECT CASE ( TRIM( in_name ) )
8774	CASE ( 'H2SO4', 'h2so4', 'SO4', 'so4' )
8775	aero_emission_att%cc_in2mod(1) = ic
8776	CASE ( 'OC', 'oc', 'organics' )
8777	aero_emission_att%cc_in2mod(2) = ic
8778	CASE ( 'BC', 'bc' )
8779	aero_emission_att%cc_in2mod(3) = ic
8780	CASE ( 'DU', 'du' )
8781	aero_emission_att%cc_in2mod(4) = ic
8782	CASE ( 'SS', 'ss' )
8783	aero_emission_att%cc_in2mod(5) = ic
8784	CASE ( 'HNO3', 'hno3', 'NO', 'no', 'NO3', 'no3' )
8785	aero_emission_att%cc_in2mod(6) = ic
8786	CASE ( 'NH3', 'nh3', 'NH', 'nh', 'NH4', 'nh4' )
8787	aero_emission_att%cc_in2mod(7) = ic
8788	END SELECT
8789
8790	ENDDO
8791
8792	IF ( SUM( aero_emission_att%cc_in2mod ) == 0 ) THEN
8793	message_string = 'None of the aerosol chemical components in ' // TRIM( &
8794	input_file_salsa ) // ' correspond to the ones applied in SALSA.'
8795	CALL message( 'salsa_emission_setup', 'PA0630', 1, 2, 0, 6, 0 )
8796	ENDIF
8797	!
8798	!-- Get number of emission categories
8799	CALL get_dimension_length( id_salsa, aero_emission_att%ncat, 'ncat' )
8800	!
8801	!-- Get the chemical composition (i.e. mass fraction of different species) in aerosols
8802	IF ( check_existence( aero_emission_att%var_names, 'emission_mass_fracs' ) ) THEN
8803	ALLOCATE( aero_emission%mass_fracs(1:aero_emission_att%ncat, &
8804	1:aero_emission_att%ncc) )
8805	CALL get_variable( id_salsa, 'emission_mass_fracs', aero_emission%mass_fracs, &
8806	0, aero_emission_att%ncc-1, 0, aero_emission_att%ncat-1 )
8807	ELSE
8808	message_string = 'Missing emission_mass_fracs in ' // TRIM( input_file_salsa )
8809	CALL message( 'salsa_emission_setup', 'PA0659', 1, 2, 0, 6, 0 )
8810	ENDIF
8811	!
8812	!-- If the chemical component is not activated, set its mass fraction to 0 to avoid
8813	!-- inbalance between number and mass flux
8814	cc_i2m = aero_emission_att%cc_in2mod
8815	IF ( index_so4 < 0 .AND. cc_i2m(1) > 0 ) &
8816	aero_emission%mass_fracs(:,cc_i2m(1)) = 0.0_wp
8817	IF ( index_oc < 0 .AND. cc_i2m(2) > 0 ) &
8818	aero_emission%mass_fracs(:,cc_i2m(2)) = 0.0_wp
8819	IF ( index_bc < 0 .AND. cc_i2m(3) > 0 ) &
8820	aero_emission%mass_fracs(:,cc_i2m(3)) = 0.0_wp
8821	IF ( index_du < 0 .AND. cc_i2m(4) > 0 ) &
8822	aero_emission%mass_fracs(:,cc_i2m(4)) = 0.0_wp
8823	IF ( index_ss < 0 .AND. cc_i2m(5) > 0 ) &
8824	aero_emission%mass_fracs(:,cc_i2m(5)) = 0.0_wp
8825	IF ( index_no < 0 .AND. cc_i2m(6) > 0 ) &
8826	aero_emission%mass_fracs(:,cc_i2m(6)) = 0.0_wp
8827	IF ( index_nh < 0 .AND. cc_i2m(7) > 0 ) &
8828	aero_emission%mass_fracs(:,cc_i2m(7)) = 0.0_wp
8829	!
8830	!-- Then normalise the mass fraction so that SUM = 1
8831	DO in = 1, aero_emission_att%ncat
8832	aero_emission%mass_fracs(in,:) = aero_emission%mass_fracs(in,:) / &
8833	SUM( aero_emission%mass_fracs(in,:) )
8834	ENDDO
8835	!
8836	!-- Inquire the fill value
8837	CALL get_attribute( id_salsa, '_FillValue', aero_emission%fill, .FALSE., &
8838	'aerosol_emission_values' )
8839	!
8840	!-- Inquire units of emissions
8841	CALL get_attribute( id_salsa, 'units', aero_emission_att%units, .FALSE., &
8842	'aerosol_emission_values' )
8843	!
8844	!-- Inquire the level of detail (lod)
8845	CALL get_attribute( id_salsa, 'lod', aero_emission_att%lod, .FALSE., &
8846	'aerosol_emission_values' )
8847
8848	!
8849	!-- Read different emission information depending on the level of detail of emissions:
8850
8851	!
8852	!-- Default mode:
8853	IF ( aero_emission_att%lod == 1 ) THEN
8854	!
8855	!-- Unit conversion factor: convert to SI units (kg/m2/s)
8856	IF ( aero_emission_att%units == 'kg/m2/yr' ) THEN
8857	aero_emission_att%conversion_factor = 1.0_wp / 3600.0_wp
8858	ELSEIF ( aero_emission_att%units == 'g/m2/yr' ) THEN
8859	aero_emission_att%conversion_factor = 0.001_wp / 3600.0_wp
8860	ELSE
8861	message_string = 'unknown unit for aerosol emissions: ' // &
8862	TRIM( aero_emission_att%units ) // ' (lod1)'
8863	CALL message( 'salsa_emission_setup','PA0631', 1, 2, 0, 6, 0 )
8864	ENDIF
8865	!
8866	!-- Allocate emission arrays
8867	ALLOCATE( aero_emission_att%cat_index(1:aero_emission_att%ncat), &
8868	aero_emission_att%rho(1:aero_emission_att%ncat), &
8869	aero_emission_att%time_factor(1:aero_emission_att%ncat) )
8870	!
8871	!-- Get emission category names and indices
8872	IF ( check_existence( aero_emission_att%var_names, 'emission_category_name' ) ) THEN
8873	CALL get_variable( id_salsa, 'emission_category_name', &
8874	aero_emission_att%cat_name, aero_emission_att%ncat )
8875	ELSE
8876	message_string = 'Missing emission_category_name in ' // TRIM( input_file_salsa )
8877	CALL message( 'salsa_emission_setup', 'PA0658', 1, 2, 0, 6, 0 )
8878	ENDIF
8879	CALL get_variable( id_salsa, 'emission_category_index', aero_emission_att%cat_index )
8880	!
8881	!-- Find corresponding emission categories
8882	DO in = 1, aero_emission_att%ncat
8883	in_name = aero_emission_att%cat_name(in)
8884	DO ss = 1, def_modes%ndc
8885	mod_name = def_modes%cat_name_table(ss)
8886	IF ( TRIM( in_name(1:4) ) == TRIM( mod_name(1:4 ) ) ) THEN
8887	def_modes%cat_input_to_model(ss) = in
8888	ENDIF
8889	ENDDO
8890	ENDDO
8891
8892	IF ( SUM( def_modes%cat_input_to_model ) == 0 ) THEN
8893	message_string = 'None of the emission categories in ' // TRIM( &
8894	input_file_salsa ) // ' match with the ones in the model.'
8895	CALL message( 'salsa_emission_setup', 'PA0632', 1, 2, 0, 6, 0 )
8896	ENDIF
8897	!
8898	!-- Emission time factors: Find check whether emission time factors are given for each
8899	!-- hour of year OR based on month, day and hour
8900	!
8901	!-- For each hour of year:
8902	IF ( check_existence( aero_emission_att%var_names, 'nhoursyear' ) ) THEN
8903	CALL get_dimension_length( id_salsa, aero_emission_att%nhoursyear, 'nhoursyear' )
8904	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8905	1:aero_emission_att%nhoursyear) )
8906	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8907	0, aero_emission_att%nhoursyear-1, 0, aero_emission_att%ncat-1 )
8908	!
8909	!-- Based on the month, day and hour:
8910	ELSEIF ( check_existence( aero_emission_att%var_names, 'nmonthdayhour' ) ) THEN
8911	CALL get_dimension_length( id_salsa, aero_emission_att%nmonthdayhour, &
8912	'nmonthdayhour' )
8913	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8914	1:aero_emission_att%nmonthdayhour) )
8915	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8916	0, aero_emission_att%nmonthdayhour-1, 0, aero_emission_att%ncat-1 )
8917	ELSE
8918	message_string = 'emission_time_factors should be given for each nhoursyear ' //&
8919	'OR nmonthdayhour'
8920	CALL message( 'salsa_emission_setup','PA0633', 1, 2, 0, 6, 0 )
8921	ENDIF
8922	!
8923	!-- Next emission update
8924	CALL get_date_time( time_since_reference_point, second_of_day=second_of_day )
8925	next_aero_emission_update = MOD( second_of_day, seconds_per_hour ) !- seconds_per_hour
8926	!
8927	!-- Calculate average mass density (kg/m3)
8928	aero_emission_att%rho = 0.0_wp
8929
8930	IF ( cc_i2m(1) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoh2so4 *&
8931	aero_emission%mass_fracs(:,cc_i2m(1))
8932	IF ( cc_i2m(2) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhooc * &
8933	aero_emission%mass_fracs(:,cc_i2m(2))
8934	IF ( cc_i2m(3) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhobc * &
8935	aero_emission%mass_fracs(:,cc_i2m(3))
8936	IF ( cc_i2m(4) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhodu * &
8937	aero_emission%mass_fracs(:,cc_i2m(4))
8938	IF ( cc_i2m(5) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoss * &
8939	aero_emission%mass_fracs(:,cc_i2m(5))
8940	IF ( cc_i2m(6) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhohno3 * &
8941	aero_emission%mass_fracs(:,cc_i2m(6))
8942	IF ( cc_i2m(7) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhonh3 * &
8943	aero_emission%mass_fracs(:,cc_i2m(7))
8944	!
8945	!-- Allocate and read surface emission data (in total PM)
8946	ALLOCATE( aero_emission%def_data(nys:nyn,nxl:nxr,1:aero_emission_att%ncat) )
8947	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%def_data, &
8948	0, aero_emission_att%ncat-1, nxl, nxr, nys, nyn )
8949
8950	!
8951	!-- Pre-processed mode
8952	ELSEIF ( aero_emission_att%lod == 2 ) THEN
8953	!
8954	!-- Unit conversion factor: convert to SI units (#/m2/s)
8955	IF ( aero_emission_att%units == '#/m2/s' ) THEN
8956	aero_emission_att%conversion_factor = 1.0_wp
8957	ELSE
8958	message_string = 'unknown unit for aerosol emissions: ' // &
8959	TRIM( aero_emission_att%units )
8960	CALL message( 'salsa_emission_setup','PA0634', 1, 2, 0, 6, 0 )
8961	ENDIF
8962	!
8963	!-- Number of aerosol size bins in the emission data
8964	CALL get_dimension_length( id_salsa, aero_emission_att%nbins, 'Dmid' )
8965	IF ( aero_emission_att%nbins /= nbins_aerosol ) THEN
8966	message_string = 'The number of size bins in aerosol input data does not ' // &
8967	'correspond to the model set-up'
8968	CALL message( 'salsa_emission_setup','PA0635', 1, 2, 0, 6, 0 )
8969	ENDIF
8970	!
8971	!-- Number of time steps in the emission data
8972	CALL get_dimension_length( id_salsa, aero_emission_att%nt, 'time')
8973	!
8974	!-- Allocate bin diameters, time and mass fraction array
8975	ALLOCATE( aero_emission_att%dmid(1:nbins_aerosol), &
8976	aero_emission_att%time(1:aero_emission_att%nt), &
8977	aero_emission%num_fracs(1:aero_emission_att%ncat,1:nbins_aerosol) )
8978	!
8979	!-- Read mean diameters
8980	CALL get_variable( id_salsa, 'Dmid', aero_emission_att%dmid )
8981	!
8982	!-- Check whether the sectional representation of the aerosol size distribution conform
8983	!-- to the one applied in the model
8984	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - aero_emission_att%dmid ) / &
8985	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
8986	message_string = 'Mean diameters of size bins in ' // TRIM( input_file_salsa ) &
8987	// ' do not match with the ones in the model.'
8988	CALL message( 'salsa_emission_setup','PA0636', 1, 2, 0, 6, 0 )
8989	ENDIF
8990	!
8991	!-- Read time stamps:
8992	IF ( check_existence( aero_emission_att%var_names, 'time' ) ) THEN
8993	CALL get_variable( id_salsa, 'time', aero_emission_att%time )
8994	ELSE
8995	message_string = 'Missing time in ' // TRIM( input_file_salsa )
8996	CALL message( 'salsa_emission_setup', 'PA0660', 1, 2, 0, 6, 0 )
8997	ENDIF
8998	!
8999	!-- Read emission number fractions per category
9000	IF ( check_existence( aero_emission_att%var_names, 'emission_number_fracs' ) ) THEN
9001	CALL get_variable( id_salsa, 'emission_number_fracs', aero_emission%num_fracs, &
9002	0, nbins_aerosol-1, 0, aero_emission_att%ncat-1 )
9003	ELSE
9004	message_string = 'Missing emission_number_fracs in ' // TRIM( input_file_salsa )
9005	CALL message( 'salsa_emission_setup', 'PA0659', 1, 2, 0, 6, 0 )
9006	ENDIF
9007
9008	ELSE
9009	message_string = 'Unknown lod for aerosol_emission_values.'
9010	CALL message( 'salsa_emission','PA0637', 1, 2, 0, 6, 0 )
9011
9012	ENDIF ! lod
9013
9014	ENDIF ! init
9015	!
9016	!-- Define and set current emission values:
9017	!
9018	!-- Default type emissions (aerosol emission given as total mass emission per year):
9019	IF ( aero_emission_att%lod == 1 ) THEN
9020	!
9021	!-- Emission time factors for each emission category at current time step
9022	IF ( aero_emission_att%nhoursyear > aero_emission_att%nmonthdayhour ) THEN
9023	!
9024	!-- Get the index of the current hour
9025	CALL get_date_time( MAX( 0.0_wp, time_since_reference_point ), &
9026	day_of_year=day_of_year, hour=hour_of_day )
9027	index_hh = ( day_of_year - 1_iwp ) * hours_per_day + hour_of_day
9028	aero_emission_att%time_factor = aero_emission_att%etf(:,index_hh+1)
9029
9030	ELSEIF ( aero_emission_att%nhoursyear < aero_emission_att%nmonthdayhour ) THEN
9031	!
9032	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
9033	!-- Needs to be calculated.)
9034	CALL get_date_time( MAX( 0.0_wp, time_since_reference_point ), month=month_of_year,&
9035	day=day_of_month, hour=hour_of_day, day_of_week=day_of_week )
9036	index_mm = month_of_year
9037	index_dd = months_per_year + day_of_week
9038	SELECT CASE(TRIM(daytype))
9039
9040	CASE ("workday")
9041	index_hh = months_per_year + days_per_week + hour_of_day
9042
9043	CASE ("weekend")
9044	index_hh = months_per_year + days_per_week + hours_per_day + hour_of_day
9045
9046	CASE ("holiday")
9047	index_hh = months_per_year + days_per_week + 2*hours_per_day + hour_of_day
9048
9049	END SELECT
9050	aero_emission_att%time_factor = aero_emission_att%etf(:,index_mm) * &
9051	aero_emission_att%etf(:,index_dd) * &
9052	aero_emission_att%etf(:,index_hh+1)
9053	ENDIF
9054
9055	!
9056	!-- Create a sectional number size distribution for emissions
9057	ALLOCATE( nsect_emission(1:nbins_aerosol),source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
9058	DO in = 1, aero_emission_att%ncat
9059
9060	inn = def_modes%cat_input_to_model(in)
9061	!
9062	!-- Calculate the number concentration (1/m3) of a log-normal size distribution
9063	!-- following Jacobson (2005): Eq 13.25.
9064	def_modes%ntot_table = 6.0_wp * def_modes%pm_frac_table(:,inn) / ( pi * &
9065	( def_modes%dpg_table )*3 EXP( 4.5_wp * &
9066	LOG( def_modes%sigmag_table )**2 ) )
9067	!
9068	!-- Sectional size distibution (1/m3) from a log-normal one
9069	CALL size_distribution( def_modes%ntot_table, def_modes%dpg_table, &
9070	def_modes%sigmag_table, nsect_emission )
9071
9072	source_array = 0.0_wp
9073	DO ib = 1, nbins_aerosol
9074	source_array(:,:,ib) = aero_emission%def_data(:,:,in) * &
9075	aero_emission_att%conversion_factor / &
9076	aero_emission_att%rho(in) * nsect_emission(ib) * &
9077	aero_emission_att%time_factor(in)
9078	ENDDO
9079	!
9080	!-- Set surface fluxes of aerosol number and mass on horizontal surfaces. Set fluxes
9081	!-- only for either default, land or urban surface.
9082	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9083	CALL set_flux( surf_def_h(0), aero_emission_att%cc_in2mod, &
9084	aero_emission%mass_fracs(in,:), source_array )
9085	ELSE
9086	CALL set_flux( surf_usm_h, aero_emission_att%cc_in2mod, &
9087	aero_emission%mass_fracs(in,:), source_array )
9088	CALL set_flux( surf_lsm_h, aero_emission_att%cc_in2mod, &
9089	aero_emission%mass_fracs(in,:), source_array )
9090	ENDIF
9091	ENDDO
9092	!
9093	!-- The next emission update is again after one hour
9094	next_aero_emission_update = next_aero_emission_update + 3600.0_wp
9095
9096
9097	DEALLOCATE( nsect_emission, source_array )
9098	!
9099	!-- Pre-processed:
9100	ELSEIF ( aero_emission_att%lod == 2 ) THEN
9101	!
9102	!-- Get time_utc_init from origin_date_time
9103	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
9104	!
9105	!-- Obtain time index for current point in time. Note, the time coordinate in the input
9106	!-- file is relative to time_utc_init.
9107	aero_emission_att%tind = MINLOC( ABS( aero_emission_att%time - ( &
9108	time_utc_init + MAX( time_since_reference_point,&
9109	0.0_wp) ) ), DIM = 1 ) - 1
9110	!
9111	!-- Allocate the data input array always before reading in the data and deallocate after
9112	ALLOCATE( aero_emission%preproc_data(nys:nyn,nxl:nxr,1:aero_emission_att%ncat), &
9113	source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
9114	!
9115	!-- Read in the next time step
9116	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%preproc_data, &
9117	aero_emission_att%tind, 0, aero_emission_att%ncat-1, &
9118	nxl, nxr, nys, nyn )
9119	!
9120	!-- Calculate the sources per category and set surface fluxes
9121	source_array = 0.0_wp
9122	DO in = 1, aero_emission_att%ncat
9123	DO ib = 1, nbins_aerosol
9124	source_array(:,:,ib) = aero_emission%preproc_data(:,:,in) * &
9125	aero_emission%num_fracs(in,ib)
9126	ENDDO
9127	!
9128	!-- Set fluxes only for either default, land and urban surface.
9129	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9130	CALL set_flux( surf_def_h(0), aero_emission_att%cc_in2mod, &
9131	aero_emission%mass_fracs(in,:), source_array )
9132	ELSE
9133	CALL set_flux( surf_usm_h, aero_emission_att%cc_in2mod, &
9134	aero_emission%mass_fracs(in,:), source_array )
9135	CALL set_flux( surf_lsm_h, aero_emission_att%cc_in2mod, &
9136	aero_emission%mass_fracs(in,:), source_array )
9137	ENDIF
9138	ENDDO
9139	!
9140	!-- Determine the next emission update
9141	next_aero_emission_update = aero_emission_att%time(aero_emission_att%tind+2)
9142
9143	DEALLOCATE( aero_emission%preproc_data, source_array )
9144
9145	ENDIF
9146	!
9147	!-- Close input file
9148	CALL close_input_file( id_salsa )
9149	#else
9150	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' //&
9151	' __netcdf is not used in compiling!'
9152	CALL message( 'salsa_emission_setup', 'PA0638', 1, 2, 0, 6, 0 )
9153
9154	#endif
9155	CASE DEFAULT
9156	message_string = 'unknown salsa_emission_mode: ' // TRIM( salsa_emission_mode )
9157	CALL message( 'salsa_emission_setup', 'PA0639', 1, 2, 0, 6, 0 )
9158
9159	END SELECT
9160
9161	CONTAINS
9162
9163	!------------------------------------------------------------------------------!
9164	! Description:
9165	! ------------
9166	!> Sets the aerosol flux to aerosol arrays in 2a and 2b.
9167	!------------------------------------------------------------------------------!
9168	SUBROUTINE set_flux( surface, cc_i_mod, mass_fracs, source_array )
9169
9170	USE arrays_3d, &
9171	ONLY: rho_air_zw
9172
9173	USE surface_mod, &
9174	ONLY: surf_type
9175
9176	IMPLICIT NONE
9177
9178	INTEGER(iwp) :: i !< loop index
9179	INTEGER(iwp) :: ib !< loop index
9180	INTEGER(iwp) :: ic !< loop index
9181	INTEGER(iwp) :: j !< loop index
9182	INTEGER(iwp) :: k !< loop index
9183	INTEGER(iwp) :: m !< running index for surface elements
9184
9185	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of chemical component in the input data
9186
9187	REAL(wp) :: so4_oc !< mass fraction between SO4 and OC in 1a
9188
9189	REAL(wp), DIMENSION(:), INTENT(in) :: mass_fracs !< mass fractions of chemical components
9190
9191	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,1:nbins_aerosol), INTENT(inout) :: source_array !<
9192
9193	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9194
9195	so4_oc = 0.0_wp
9196
9197	DO m = 1, surface%ns
9198	!
9199	!-- Get indices of respective grid point
9200	i = surface%i(m)
9201	j = surface%j(m)
9202	k = surface%k(m)
9203
9204	DO ib = 1, nbins_aerosol
9205	IF ( source_array(j,i,ib) < nclim ) THEN
9206	source_array(j,i,ib) = 0.0_wp
9207	ENDIF
9208	!
9209	!-- Set mass fluxes. First bins include only SO4 and/or OC.
9210	IF ( ib <= end_subrange_1a ) THEN
9211	!
9212	!-- Both sulphate and organic carbon
9213	IF ( index_so4 > 0 .AND. index_oc > 0 ) THEN
9214
9215	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
9216	so4_oc = mass_fracs(cc_i_mod(1)) / ( mass_fracs(cc_i_mod(1)) + &
9217	mass_fracs(cc_i_mod(2)) )
9218	surface%amsws(m,ic) = surface%amsws(m,ic) + so4_oc * source_array(j,i,ib) &
9219	* api6 * aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
9220	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9221
9222	ic = ( index_oc - 1 ) * nbins_aerosol + ib
9223	surface%amsws(m,ic) = surface%amsws(m,ic) + ( 1-so4_oc ) * source_array(j,i,ib) &
9224	* api6 * aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
9225	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9226	!
9227	!-- Only sulphates
9228	ELSEIF ( index_so4 > 0 .AND. index_oc < 0 ) THEN
9229	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
9230	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
9231	aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
9232	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9233	!
9234	!-- Only organic carbon
9235	ELSEIF ( index_so4 < 0 .AND. index_oc > 0 ) THEN
9236	ic = ( index_oc - 1 ) * nbins_aerosol + ib
9237	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
9238	aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
9239	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9240	ENDIF
9241
9242	ELSE
9243	!
9244	!-- Sulphate
9245	IF ( index_so4 > 0 ) THEN
9246	ic = cc_i_mod(1)
9247	CALL set_mass_flux( surface, m, ib, index_so4, mass_fracs(ic), arhoh2so4, &
9248	source_array(j,i,ib) )
9249	ENDIF
9250	!
9251	!-- Organic carbon
9252	IF ( index_oc > 0 ) THEN
9253	ic = cc_i_mod(2)
9254	CALL set_mass_flux( surface, m, ib, index_oc, mass_fracs(ic),arhooc, &
9255	source_array(j,i,ib) )
9256	ENDIF
9257	!
9258	!-- Black carbon
9259	IF ( index_bc > 0 ) THEN
9260	ic = cc_i_mod(3)
9261	CALL set_mass_flux( surface, m, ib, index_bc, mass_fracs(ic), arhobc, &
9262	source_array(j,i,ib) )
9263	ENDIF
9264	!
9265	!-- Dust
9266	IF ( index_du > 0 ) THEN
9267	ic = cc_i_mod(4)
9268	CALL set_mass_flux( surface, m, ib, index_du, mass_fracs(ic), arhodu, &
9269	source_array(j,i,ib) )
9270	ENDIF
9271	!
9272	!-- Sea salt
9273	IF ( index_ss > 0 ) THEN
9274	ic = cc_i_mod(5)
9275	CALL set_mass_flux( surface, m, ib, index_ss, mass_fracs(ic), arhoss, &
9276	source_array(j,i,ib) )
9277	ENDIF
9278	!
9279	!-- Nitric acid
9280	IF ( index_no > 0 ) THEN
9281	ic = cc_i_mod(6)
9282	CALL set_mass_flux( surface, m, ib, index_no, mass_fracs(ic), arhohno3, &
9283	source_array(j,i,ib) )
9284	ENDIF
9285	!
9286	!-- Ammonia
9287	IF ( index_nh > 0 ) THEN
9288	ic = cc_i_mod(7)
9289	CALL set_mass_flux( surface, m, ib, index_nh, mass_fracs(ic), arhonh3, &
9290	source_array(j,i,ib) )
9291	ENDIF
9292
9293	ENDIF
9294	!
9295	!-- Save number fluxes in the end
9296	surface%answs(m,ib) = surface%answs(m,ib) + source_array(j,i,ib) * rho_air_zw(k-1)
9297	aerosol_number(ib)%source(j,i) = aerosol_number(ib)%source(j,i) + surface%answs(m,ib)
9298
9299	ENDDO ! ib
9300	ENDDO ! m
9301
9302	END SUBROUTINE set_flux
9303
9304	!------------------------------------------------------------------------------!
9305	! Description:
9306	! ------------
9307	!> Sets the mass emissions to aerosol arrays in 2a and 2b.
9308	!------------------------------------------------------------------------------!
9309	SUBROUTINE set_mass_flux( surface, surf_num, ib, ispec, mass_frac, prho, nsource )
9310
9311	USE arrays_3d, &
9312	ONLY: rho_air_zw
9313
9314	USE surface_mod, &
9315	ONLY: surf_type
9316
9317	IMPLICIT NONE
9318
9319	INTEGER(iwp) :: i !< loop index
9320	INTEGER(iwp) :: j !< loop index
9321	INTEGER(iwp) :: k !< loop index
9322	INTEGER(iwp) :: ic !< loop index
9323
9324	INTEGER(iwp), INTENT(in) :: ib !< Aerosol size bin index
9325	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
9326	INTEGER(iwp), INTENT(in) :: surf_num !< index surface elements
9327
9328	REAL(wp), INTENT(in) :: mass_frac !< mass fraction of a chemical compound in all bins
9329	REAL(wp), INTENT(in) :: nsource !< number source (#/m2/s)
9330	REAL(wp), INTENT(in) :: prho !< Aerosol density
9331
9332	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9333	!
9334	!-- Get indices of respective grid point
9335	i = surface%i(surf_num)
9336	j = surface%j(surf_num)
9337	k = surface%k(surf_num)
9338	!
9339	!-- Subrange 2a:
9340	ic = ( ispec - 1 ) * nbins_aerosol + ib
9341	surface%amsws(surf_num,ic) = surface%amsws(surf_num,ic) + mass_frac * nsource * &
9342	aero(ib)%core * prho * rho_air_zw(k-1)
9343	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(surf_num,ic)
9344
9345	END SUBROUTINE set_mass_flux
9346
9347	END SUBROUTINE salsa_emission_setup
9348
9349	!------------------------------------------------------------------------------!
9350	! Description:
9351	! ------------
9352	!> Sets the gaseous fluxes
9353	!------------------------------------------------------------------------------!
9354	SUBROUTINE salsa_gas_emission_setup( init )
9355
9356	USE netcdf_data_input_mod, &
9357	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
9358	inquire_num_variables, inquire_variable_names, &
9359	get_dimension_length, open_read_file
9360
9361	USE palm_date_time_mod, &
9362	ONLY: days_per_week, get_date_time, hours_per_day, months_per_year, seconds_per_hour
9363
9364	USE surface_mod, &
9365	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
9366
9367	IMPLICIT NONE
9368
9369	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
9370	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
9371
9372	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names in input data
9373
9374
9375	INTEGER(iwp) :: day_of_month !< day of the month
9376	INTEGER(iwp) :: day_of_week !< day of the week
9377	INTEGER(iwp) :: day_of_year !< day of the year
9378	INTEGER(iwp) :: hour_of_day !< hour of the day
9379	INTEGER(iwp) :: id_chem !< NetCDF id of chemistry emission file
9380	INTEGER(iwp) :: i !< loop index
9381	INTEGER(iwp) :: ig !< loop index
9382	INTEGER(iwp) :: in !< running index for emission categories
9383	INTEGER(iwp) :: index_dd !< index day
9384	INTEGER(iwp) :: index_hh !< index hour
9385	INTEGER(iwp) :: index_mm !< index month
9386	INTEGER(iwp) :: j !< loop index
9387	INTEGER(iwp) :: month_of_year !< month of the year
9388	INTEGER(iwp) :: num_vars !< number of variables
9389
9390	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
9391
9392	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
9393
9394	REAL(wp) :: second_of_day !< second of the day
9395
9396	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
9397
9398	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: dum_var_3d !<
9399
9400	REAL(wp), DIMENSION(:,:,:,:,:), ALLOCATABLE :: dum_var_5d !<
9401
9402	!
9403	!-- Reset surface fluxes
9404	surf_def_h(0)%gtsws = 0.0_wp
9405	surf_lsm_h%gtsws = 0.0_wp
9406	surf_usm_h%gtsws = 0.0_wp
9407
9408	#if defined( __netcdf )
9409	!
9410	!-- Check existence of PIDS_CHEM file
9411	INQUIRE( FILE = 'PIDS_CHEM' // TRIM( coupling_char ), EXIST = netcdf_extend )
9412	IF ( .NOT. netcdf_extend ) THEN
9413	message_string = 'Input file PIDS_CHEM' // TRIM( coupling_char ) // ' missing!'
9414	CALL message( 'salsa_gas_emission_setup', 'PA0640', 1, 2, 0, 6, 0 )
9415	ENDIF
9416	!
9417	!-- Open file in read-only mode
9418	CALL open_read_file( 'PIDS_CHEM' // TRIM( coupling_char ), id_chem )
9419
9420	IF ( init ) THEN
9421	!
9422	!-- Read the index and name of chemical components
9423	CALL get_dimension_length( id_chem, chem_emission_att%n_emiss_species, 'nspecies' )
9424	ALLOCATE( chem_emission_att%species_index(1:chem_emission_att%n_emiss_species) )
9425	CALL get_variable( id_chem, 'emission_index', chem_emission_att%species_index )
9426	CALL get_variable( id_chem, 'emission_name', chem_emission_att%species_name, &
9427	chem_emission_att%n_emiss_species )
9428	!
9429	!-- Allocate emission data
9430	ALLOCATE( chem_emission(1:chem_emission_att%n_emiss_species) )
9431	!
9432	!-- Find the corresponding indices in the model
9433	emission_index_chem = 0
9434	DO ig = 1, chem_emission_att%n_emiss_species
9435	in_name = chem_emission_att%species_name(ig)
9436	SELECT CASE ( TRIM( in_name ) )
9437	CASE ( 'H2SO4', 'h2so4' )
9438	emission_index_chem(1) = ig
9439	CASE ( 'HNO3', 'hno3' )
9440	emission_index_chem(2) = ig
9441	CASE ( 'NH3', 'nh3' )
9442	emission_index_chem(3) = ig
9443	CASE ( 'OCNV', 'ocnv' )
9444	emission_index_chem(4) = ig
9445	CASE ( 'OCSV', 'ocsv' )
9446	emission_index_chem(5) = ig
9447	END SELECT
9448	ENDDO
9449	!
9450	!-- Inquire the fill value
9451	CALL get_attribute( id_chem, '_FillValue', aero_emission%fill, .FALSE., 'emission_values' )
9452	!
9453	!-- Inquire units of emissions
9454	CALL get_attribute( id_chem, 'units', chem_emission_att%units, .FALSE., 'emission_values' )
9455	!
9456	!-- Inquire the level of detail (lod)
9457	CALL get_attribute( id_chem, 'lod', lod_gas_emissions, .FALSE., 'emission_values' )
9458	!
9459	!-- Variable names
9460	CALL inquire_num_variables( id_chem, num_vars )
9461	ALLOCATE( var_names(1:num_vars) )
9462	CALL inquire_variable_names( id_chem, var_names )
9463	!
9464	!-- Default mode: as total emissions per year
9465	IF ( lod_gas_emissions == 1 ) THEN
9466
9467	!
9468	!-- Get number of emission categories and allocate emission arrays
9469	CALL get_dimension_length( id_chem, chem_emission_att%ncat, 'ncat' )
9470	ALLOCATE( chem_emission_att%cat_index(1:chem_emission_att%ncat), &
9471	time_factor(1:chem_emission_att%ncat) )
9472	!
9473	!-- Get emission category names and indices
9474	CALL get_variable( id_chem, 'emission_category_name', chem_emission_att%cat_name, &
9475	chem_emission_att%ncat)
9476	CALL get_variable( id_chem, 'emission_category_index', chem_emission_att%cat_index )
9477	!
9478	!-- Emission time factors: Find check whether emission time factors are given for each hour
9479	!-- of year OR based on month, day and hour
9480	!
9481	!-- For each hour of year:
9482	IF ( check_existence( var_names, 'nhoursyear' ) ) THEN
9483	CALL get_dimension_length( id_chem, chem_emission_att%nhoursyear, 'nhoursyear' )
9484	ALLOCATE( chem_emission_att%hourly_emis_time_factor(1:chem_emission_att%ncat, &
9485	1:chem_emission_att%nhoursyear) )
9486	CALL get_variable( id_chem, 'emission_time_factors', &
9487	chem_emission_att%hourly_emis_time_factor, &
9488	0, chem_emission_att%nhoursyear-1, 0, chem_emission_att%ncat-1 )
9489	!
9490	!-- Based on the month, day and hour:
9491	ELSEIF ( check_existence( var_names, 'nmonthdayhour' ) ) THEN
9492	CALL get_dimension_length( id_chem, chem_emission_att%nmonthdayhour, 'nmonthdayhour' )
9493	ALLOCATE( chem_emission_att%mdh_emis_time_factor(1:chem_emission_att%ncat, &
9494	1:chem_emission_att%nmonthdayhour) )
9495	CALL get_variable( id_chem, 'emission_time_factors', &
9496	chem_emission_att%mdh_emis_time_factor, &
9497	0, chem_emission_att%nmonthdayhour-1, 0, chem_emission_att%ncat-1 )
9498	ELSE
9499	message_string = 'emission_time_factors should be given for each nhoursyear OR ' // &
9500	'nmonthdayhour'
9501	CALL message( 'salsa_gas_emission_setup','PA0641', 1, 2, 0, 6, 0 )
9502	ENDIF
9503	!
9504	!-- Next emission update
9505	CALL get_date_time( time_since_reference_point, second_of_day=second_of_day )
9506	next_gas_emission_update = MOD( second_of_day, seconds_per_hour ) !- seconds_per_hour
9507	!
9508	!-- Allocate and read surface emission data (in total PM) (NOTE that "preprocessed" input data
9509	!-- array is applied now here)
9510	ALLOCATE( dum_var_5d(1,nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species, &
9511	1:chem_emission_att%ncat) )
9512	CALL get_variable( id_chem, 'emission_values', dum_var_5d, 0, chem_emission_att%ncat-1, &
9513	0, chem_emission_att%n_emiss_species-1, nxl, nxr, nys, nyn, 0, 0 )
9514	DO ig = 1, chem_emission_att%n_emiss_species
9515	ALLOCATE( chem_emission(ig)%default_emission_data(nys:nyn,nxl:nxr, &
9516	1:chem_emission_att%ncat) )
9517	DO in = 1, chem_emission_att%ncat
9518	DO i = nxl, nxr
9519	DO j = nys, nyn
9520	chem_emission(ig)%default_emission_data(j,i,in) = dum_var_5d(1,j,i,ig,in)
9521	ENDDO
9522	ENDDO
9523	ENDDO
9524	ENDDO
9525	DEALLOCATE( dum_var_5d )
9526	!
9527	!-- Pre-processed mode:
9528	ELSEIF ( lod_gas_emissions == 2 ) THEN
9529	!
9530	!-- Number of time steps in the emission data
9531	CALL get_dimension_length( id_chem, chem_emission_att%dt_emission, 'time' )
9532	!
9533	!-- Allocate and read time
9534	ALLOCATE( gas_emission_time(1:chem_emission_att%dt_emission) )
9535	CALL get_variable( id_chem, 'time', gas_emission_time )
9536	ELSE
9537	message_string = 'Unknown lod for emission_values.'
9538	CALL message( 'salsa_gas_emission_setup','PA0642', 1, 2, 0, 6, 0 )
9539	ENDIF ! lod
9540
9541	ENDIF ! init
9542	!
9543	!-- Define and set current emission values:
9544
9545	IF ( lod_gas_emissions == 1 ) THEN
9546	!
9547	!-- Emission time factors for each emission category at current time step
9548	IF ( chem_emission_att%nhoursyear > chem_emission_att%nmonthdayhour ) THEN
9549	!
9550	!-- Get the index of the current hour
9551	CALL get_date_time( time_since_reference_point, &
9552	day_of_year=day_of_year, hour=hour_of_day )
9553	index_hh = ( day_of_year - 1_iwp ) * hours_per_day + hour_of_day
9554	IF ( .NOT. ALLOCATED( time_factor ) ) ALLOCATE( time_factor(1:chem_emission_att%ncat) )
9555	time_factor = 0.0_wp
9556	time_factor = chem_emission_att%hourly_emis_time_factor(:,index_hh+1)
9557
9558	ELSEIF ( chem_emission_att%nhoursyear < chem_emission_att%nmonthdayhour ) THEN
9559	!
9560	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
9561	!-- Needs to be calculated.)
9562	CALL get_date_time( time_since_reference_point, &
9563	month=month_of_year, &
9564	day=day_of_month, &
9565	hour=hour_of_day, &
9566	day_of_week=day_of_week )
9567	index_mm = month_of_year
9568	index_dd = months_per_year + day_of_week
9569	SELECT CASE( TRIM( daytype ) )
9570
9571	CASE ("workday")
9572	index_hh = months_per_year + days_per_week + hour_of_day
9573
9574	CASE ("weekend")
9575	index_hh = months_per_year + days_per_week + hours_per_day + hour_of_day
9576
9577	CASE ("holiday")
9578	index_hh = months_per_year + days_per_week + 2*hours_per_day + hour_of_day
9579
9580	END SELECT
9581	time_factor = chem_emission_att%mdh_emis_time_factor(:,index_mm) * &
9582	chem_emission_att%mdh_emis_time_factor(:,index_dd) * &
9583	chem_emission_att%mdh_emis_time_factor(:,index_hh+1)
9584	ENDIF
9585	!
9586	!-- Set gas emissions for each emission category
9587	ALLOCATE( dum_var_3d(nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species) )
9588
9589	DO in = 1, chem_emission_att%ncat
9590	DO ig = 1, chem_emission_att%n_emiss_species
9591	dum_var_3d(:,:,ig) = chem_emission(ig)%default_emission_data(:,:,in)
9592	ENDDO
9593	!
9594	!-- Set surface fluxes only for either default, land or urban surface
9595	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9596	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
9597	dum_var_3d, time_factor(in) )
9598	ELSE
9599	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
9600	dum_var_3d, time_factor(in) )
9601	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
9602	dum_var_3d, time_factor(in) )
9603	ENDIF
9604	ENDDO
9605	DEALLOCATE( dum_var_3d )
9606	!
9607	!-- The next emission update is again after one hour
9608	next_gas_emission_update = next_gas_emission_update + 3600.0_wp
9609
9610	ELSEIF ( lod_gas_emissions == 2 ) THEN
9611	!
9612	!-- Get time_utc_init from origin_date_time
9613	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
9614	!
9615	!-- Obtain time index for current point in time. Note, the time coordinate in the input file is
9616	!-- relative to time_utc_init.
9617	chem_emission_att%i_hour = MINLOC( ABS( gas_emission_time - ( time_utc_init + &
9618	MAX( time_since_reference_point, 0.0_wp) ) ), DIM = 1 ) - 1
9619	!
9620	!-- Allocate the data input array always before reading in the data and deallocate after (NOTE
9621	!-- that "preprocessed" input data array is applied now here)
9622	ALLOCATE( dum_var_5d(1,1,nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species) )
9623	!
9624	!-- Read in the next time step
9625	CALL get_variable( id_chem, 'emission_values', dum_var_5d, &
9626	0, chem_emission_att%n_emiss_species-1, nxl, nxr, nys, nyn, 0, 0, &
9627	chem_emission_att%i_hour, chem_emission_att%i_hour )
9628	!
9629	!-- Set surface fluxes only for either default, land or urban surface
9630	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9631	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
9632	dum_var_5d(1,1,:,:,:) )
9633	ELSE
9634	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
9635	dum_var_5d(1,1,:,:,:) )
9636	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
9637	dum_var_5d(1,1,:,:,:) )
9638	ENDIF
9639	DEALLOCATE ( dum_var_5d )
9640	!
9641	!-- Determine the next emission update
9642	next_gas_emission_update = gas_emission_time(chem_emission_att%i_hour+2)
9643
9644	ENDIF
9645	!
9646	!-- Close input file
9647	CALL close_input_file( id_chem )
9648
9649	#else
9650	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' // &
9651	' __netcdf is not used in compiling!'
9652	CALL message( 'salsa_gas_emission_setup', 'PA0643', 1, 2, 0, 6, 0 )
9653
9654	#endif
9655
9656	CONTAINS
9657	!------------------------------------------------------------------------------!
9658	! Description:
9659	! ------------
9660	!> Set gas fluxes for selected type of surfaces
9661	!------------------------------------------------------------------------------!
9662	SUBROUTINE set_gas_flux( surface, cc_i_mod, unit, source_array, time_fac )
9663
9664	USE arrays_3d, &
9665	ONLY: dzw, hyp, pt, rho_air_zw
9666
9667	USE grid_variables, &
9668	ONLY: dx, dy
9669
9670	USE surface_mod, &
9671	ONLY: surf_type
9672
9673	IMPLICIT NONE
9674
9675	CHARACTER(LEN=*), INTENT(in) :: unit !< flux unit in the input file
9676
9677	INTEGER(iwp) :: ig !< running index for gases
9678	INTEGER(iwp) :: i !< loop index
9679	INTEGER(iwp) :: j !< loop index
9680	INTEGER(iwp) :: k !< loop index
9681	INTEGER(iwp) :: m !< running index for surface elements
9682
9683	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of different gases in the input data
9684
9685	LOGICAL :: use_time_fac !< .TRUE. is time_fac present
9686
9687	REAL(wp), OPTIONAL :: time_fac !< emission time factor
9688
9689	REAL(wp), DIMENSION(ngases_salsa) :: conv !< unit conversion factor
9690
9691	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species), INTENT(in) :: source_array !<
9692
9693	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9694
9695	conv = 1.0_wp
9696	use_time_fac = PRESENT( time_fac )
9697
9698	DO m = 1, surface%ns
9699	!
9700	!-- Get indices of respective grid point
9701	i = surface%i(m)
9702	j = surface%j(m)
9703	k = surface%k(m)
9704	!
9705	!-- Unit conversion factor: convert to SI units (#/m2/s)
9706	SELECT CASE ( TRIM( unit ) )
9707	CASE ( 'kg/m2/yr' )
9708	conv(1) = avo / ( amh2so4 * 3600.0_wp )
9709	conv(2) = avo / ( amhno3 * 3600.0_wp )
9710	conv(3) = avo / ( amnh3 * 3600.0_wp )
9711	conv(4) = avo / ( amoc * 3600.0_wp )
9712	conv(5) = avo / ( amoc * 3600.0_wp )
9713	CASE ( 'g/m2/yr' )
9714	conv(1) = avo / ( amh2so4 * 3.6E+6_wp )
9715	conv(2) = avo / ( amhno3 * 3.6E+6_wp )
9716	conv(3) = avo / ( amnh3 * 3.6E+6_wp )
9717	conv(4) = avo / ( amoc * 3.6E+6_wp )
9718	conv(5) = avo / ( amoc * 3.6E+6_wp )
9719	CASE ( 'g/m2/s' )
9720	conv(1) = avo / ( amh2so4 * 1000.0_wp )
9721	conv(2) = avo / ( amhno3 * 1000.0_wp )
9722	conv(3) = avo / ( amnh3 * 1000.0_wp )
9723	conv(4) = avo / ( amoc * 1000.0_wp )
9724	conv(5) = avo / ( amoc * 1000.0_wp )
9725	CASE ( '#/m2/s' )
9726	conv = 1.0_wp
9727	CASE ( 'ppm/m2/s' )
9728	conv = for_ppm_to_nconc * hyp(k) / pt(k,j,i) * ( 1.0E5_wp / hyp(k) )*0.286_wp &
9729	dx * dy * dzw(k)
9730	CASE ( 'mumol/m2/s' )
9731	conv = 1.0E-6_wp * avo
9732	CASE DEFAULT
9733	message_string = 'unknown unit for gas emissions: ' // TRIM( chem_emission_att%units )
9734	CALL message( 'set_gas_flux','PA0644', 1, 2, 0, 6, 0 )
9735
9736	END SELECT
9737
9738	DO ig = 1, ngases_salsa
9739	IF ( use_time_fac ) THEN
9740	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) * time_fac &
9741	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9742	ELSE
9743	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) &
9744	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9745	ENDIF
9746	ENDDO ! ig
9747
9748	ENDDO ! m
9749
9750	END SUBROUTINE set_gas_flux
9751
9752	END SUBROUTINE salsa_gas_emission_setup
9753
9754	!------------------------------------------------------------------------------!
9755	! Description:
9756	! ------------
9757	!> Check data output for salsa.
9758	!------------------------------------------------------------------------------!
9759	SUBROUTINE salsa_check_data_output( var, unit )
9760
9761	IMPLICIT NONE
9762
9763	CHARACTER(LEN=*) :: unit !<
9764	CHARACTER(LEN=*) :: var !<
9765
9766	INTEGER(iwp) :: char_to_int !< for converting character to integer
9767
9768	IF ( var(1:6) /= 'salsa_' ) THEN
9769	unit = 'illegal'
9770	RETURN
9771	ENDIF
9772	!
9773	!-- Treat bin-specific outputs separately
9774	IF ( var(7:11) == 'N_bin' ) THEN
9775	READ( var(12:),* ) char_to_int
9776	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
9777	unit = '#/m3'
9778	ELSE
9779	unit = 'illegal'
9780	RETURN
9781	ENDIF
9782
9783	ELSEIF ( var(7:11) == 'm_bin' ) THEN
9784	READ( var(12:),* ) char_to_int
9785	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
9786	unit = 'kg/m3'
9787	ELSE
9788	unit = 'illegal'
9789	RETURN
9790	ENDIF
9791
9792	ELSE
9793	SELECT CASE ( TRIM( var(7:) ) )
9794
9795	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9796	IF ( air_chemistry ) THEN
9797	message_string = 'gases are imported from the chemistry module and thus output '// &
9798	'of "' // TRIM( var ) // '" is not allowed'
9799	CALL message( 'check_parameters', 'PA0653', 1, 2, 0, 6, 0 )
9800	ENDIF
9801	unit = '#/m3'
9802
9803	CASE ( 'LDSA' )
9804	unit = 'mum2/cm3'
9805
9806	CASE ( 'PM0.1', 'PM2.5', 'PM10', 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', &
9807	's_SO4', 's_SS' )
9808	unit = 'kg/m3'
9809
9810	CASE ( 'N_UFP', 'Ntot' )
9811	unit = '#/m3'
9812
9813	CASE DEFAULT
9814	unit = 'illegal'
9815
9816	END SELECT
9817	ENDIF
9818
9819	END SUBROUTINE salsa_check_data_output
9820
9821	!------------------------------------------------------------------------------!
9822	! Description:
9823	! ------------
9824	!> Check profile data output for salsa. Currently only for diagnostic variables
9825	!> Ntot, N_UFP, PM0.1, PM2.5, PM10 and LDSA
9826	!------------------------------------------------------------------------------!
9827	SUBROUTINE salsa_check_data_output_pr( var, var_count, unit, dopr_unit )
9828
9829	USE arrays_3d, &
9830	ONLY: zu
9831
9832	USE profil_parameter, &
9833	ONLY: dopr_index
9834
9835	USE statistics, &
9836	ONLY: hom, pr_palm, statistic_regions
9837
9838	IMPLICIT NONE
9839
9840	CHARACTER(LEN=*) :: dopr_unit !<
9841	CHARACTER(LEN=*) :: unit !<
9842	CHARACTER(LEN=*) :: var !<
9843
9844	INTEGER(iwp) :: var_count !<
9845
9846	IF ( var(1:6) /= 'salsa_' ) THEN
9847	unit = 'illegal'
9848	RETURN
9849	ENDIF
9850
9851	SELECT CASE ( TRIM( var(7:) ) )
9852
9853	CASE( 'LDSA' )
9854	salsa_pr_count = salsa_pr_count + 1
9855	salsa_pr_index(salsa_pr_count) = 1
9856	dopr_index(var_count) = pr_palm + salsa_pr_count
9857	dopr_unit = 'mum2/cm3'
9858	unit = dopr_unit
9859	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9860
9861	CASE( 'N_UFP' )
9862	salsa_pr_count = salsa_pr_count + 1
9863	salsa_pr_index(salsa_pr_count) = 2
9864	dopr_index(var_count) = pr_palm + salsa_pr_count
9865	dopr_unit = '#/m3'
9866	unit = dopr_unit
9867	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9868
9869	CASE( 'Ntot' )
9870	salsa_pr_count = salsa_pr_count + 1
9871	salsa_pr_index(salsa_pr_count) = 3
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( 'PM0.1' )
9878	salsa_pr_count = salsa_pr_count + 1
9879	salsa_pr_index(salsa_pr_count) = 4
9880	dopr_index(var_count) = pr_palm + salsa_pr_count
9881	dopr_unit = 'kg/m3'
9882	unit = dopr_unit
9883	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9884
9885	CASE( 'PM2.5' )
9886	salsa_pr_count = salsa_pr_count + 1
9887	salsa_pr_index(salsa_pr_count) = 5
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( 'PM10' )
9894	salsa_pr_count = salsa_pr_count + 1
9895	salsa_pr_index(salsa_pr_count) = 6
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 DEFAULT
9902	unit = 'illegal'
9903
9904	END SELECT
9905
9906
9907	END SUBROUTINE salsa_check_data_output_pr
9908
9909	!-------------------------------------------------------------------------------!
9910	!> Description:
9911	!> Calculation of horizontally averaged profiles for salsa.
9912	!-------------------------------------------------------------------------------!
9913	SUBROUTINE salsa_statistics( mode, sr, tn )
9914
9915	USE control_parameters, &
9916	ONLY: max_pr_user
9917
9918	USE chem_modules, &
9919	ONLY: max_pr_cs
9920
9921	USE statistics, &
9922	ONLY: pr_palm, rmask, sums_l
9923
9924	IMPLICIT NONE
9925
9926	CHARACTER(LEN=*) :: mode !<
9927
9928	INTEGER(iwp) :: i !< loop index
9929	INTEGER(iwp) :: ib !< loop index
9930	INTEGER(iwp) :: ic !< loop index
9931	INTEGER(iwp) :: ii !< loop index
9932	INTEGER(iwp) :: ind !< index in the statistical output
9933	INTEGER(iwp) :: j !< loop index
9934	INTEGER(iwp) :: k !< loop index
9935	INTEGER(iwp) :: sr !< statistical region
9936	INTEGER(iwp) :: tn !< thread number
9937
9938	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
9939	!< (or tracheobronchial) region of the lung. Depends on the particle size
9940	REAL(wp) :: mean_d !< Particle diameter in micrometres
9941	REAL(wp) :: temp_bin !< temporary variable
9942
9943	IF ( mode == 'profiles' ) THEN
9944	!$OMP DO
9945	DO ii = 1, salsa_pr_count
9946
9947	ind = pr_palm + max_pr_user + max_pr_cs + ii
9948
9949	SELECT CASE( salsa_pr_index(ii) )
9950
9951	CASE( 1 ) ! LDSA
9952	DO i = nxl, nxr
9953	DO j = nys, nyn
9954	DO k = nzb, nzt+1
9955	temp_bin = 0.0_wp
9956	DO ib = 1, nbins_aerosol
9957	!
9958	!-- Diameter in micrometres
9959	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
9960	!
9961	!-- Deposition factor: alveolar
9962	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
9963	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
9964	1.362_wp )**2 ) )
9965	!
9966	!-- Lung-deposited surface area LDSA (units mum2/cm3)
9967	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
9968	aerosol_number(ib)%conc(k,j,i)
9969	ENDDO
9970	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9971	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9972	ENDDO
9973	ENDDO
9974	ENDDO
9975
9976	CASE( 2 ) ! N_UFP
9977	DO i = nxl, nxr
9978	DO j = nys, nyn
9979	DO k = nzb, nzt+1
9980	temp_bin = 0.0_wp
9981	DO ib = 1, nbins_aerosol
9982	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) &
9983	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
9984	ENDDO
9985	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9986	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9987	ENDDO
9988	ENDDO
9989	ENDDO
9990
9991	CASE( 3 ) ! Ntot
9992	DO i = nxl, nxr
9993	DO j = nys, nyn
9994	DO k = nzb, nzt+1
9995	temp_bin = 0.0_wp
9996	DO ib = 1, nbins_aerosol
9997	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
9998	ENDDO
9999	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10000	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10001	ENDDO
10002	ENDDO
10003	ENDDO
10004
10005	CASE( 4 ) ! PM0.1
10006	DO i = nxl, nxr
10007	DO j = nys, nyn
10008	DO k = nzb, nzt+1
10009	temp_bin = 0.0_wp
10010	DO ib = 1, nbins_aerosol
10011	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10012	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10013	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10014	ENDDO
10015	ENDIF
10016	ENDDO
10017	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10018	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10019	ENDDO
10020	ENDDO
10021	ENDDO
10022
10023	CASE( 5 ) ! PM2.5
10024	DO i = nxl, nxr
10025	DO j = nys, nyn
10026	DO k = nzb, nzt+1
10027	temp_bin = 0.0_wp
10028	DO ib = 1, nbins_aerosol
10029	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10030	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10031	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10032	ENDDO
10033	ENDIF
10034	ENDDO
10035	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10036	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10037	ENDDO
10038	ENDDO
10039	ENDDO
10040
10041	CASE( 6 ) ! PM10
10042	DO i = nxl, nxr
10043	DO j = nys, nyn
10044	DO k = nzb, nzt+1
10045	temp_bin = 0.0_wp
10046	DO ib = 1, nbins_aerosol
10047	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10048	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10049	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10050	ENDDO
10051	ENDIF
10052	ENDDO
10053	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
10054	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
10055	ENDDO
10056	ENDDO
10057	ENDDO
10058
10059	END SELECT
10060	ENDDO
10061
10062	ELSEIF ( mode == 'time_series' ) THEN
10063	!
10064	!-- TODO
10065	ENDIF
10066
10067	END SUBROUTINE salsa_statistics
10068
10069
10070	!------------------------------------------------------------------------------!
10071	!
10072	! Description:
10073	! ------------
10074	!> Subroutine for averaging 3D data
10075	!------------------------------------------------------------------------------!
10076	SUBROUTINE salsa_3d_data_averaging( mode, variable )
10077
10078	USE control_parameters, &
10079	ONLY: average_count_3d
10080
10081	IMPLICIT NONE
10082
10083	CHARACTER(LEN=*) :: mode !<
10084	CHARACTER(LEN=10) :: vari !<
10085	CHARACTER(LEN=*) :: variable !<
10086
10087	INTEGER(iwp) :: char_to_int !< for converting character to integer
10088	INTEGER(iwp) :: found_index !<
10089	INTEGER(iwp) :: i !<
10090	INTEGER(iwp) :: ib !<
10091	INTEGER(iwp) :: ic !<
10092	INTEGER(iwp) :: j !<
10093	INTEGER(iwp) :: k !<
10094
10095	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
10096	!< (or tracheobronchial) region of the lung. Depends on the particle size
10097	REAL(wp) :: mean_d !< Particle diameter in micrometres
10098	REAL(wp) :: temp_bin !< temporary variable
10099
10100	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< points to selected output variable
10101
10102	temp_bin = 0.0_wp
10103
10104	IF ( mode == 'allocate' ) THEN
10105
10106	IF ( variable(7:11) == 'N_bin' ) THEN
10107	IF ( .NOT. ALLOCATED( nbins_av ) ) THEN
10108	ALLOCATE( nbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
10109	ENDIF
10110	nbins_av = 0.0_wp
10111
10112	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10113	IF ( .NOT. ALLOCATED( mbins_av ) ) THEN
10114	ALLOCATE( mbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
10115	ENDIF
10116	mbins_av = 0.0_wp
10117
10118	ELSE
10119
10120	SELECT CASE ( TRIM( variable(7:) ) )
10121
10122	CASE ( 'g_H2SO4' )
10123	IF ( .NOT. ALLOCATED( g_h2so4_av ) ) THEN
10124	ALLOCATE( g_h2so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10125	ENDIF
10126	g_h2so4_av = 0.0_wp
10127
10128	CASE ( 'g_HNO3' )
10129	IF ( .NOT. ALLOCATED( g_hno3_av ) ) THEN
10130	ALLOCATE( g_hno3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10131	ENDIF
10132	g_hno3_av = 0.0_wp
10133
10134	CASE ( 'g_NH3' )
10135	IF ( .NOT. ALLOCATED( g_nh3_av ) ) THEN
10136	ALLOCATE( g_nh3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10137	ENDIF
10138	g_nh3_av = 0.0_wp
10139
10140	CASE ( 'g_OCNV' )
10141	IF ( .NOT. ALLOCATED( g_ocnv_av ) ) THEN
10142	ALLOCATE( g_ocnv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10143	ENDIF
10144	g_ocnv_av = 0.0_wp
10145
10146	CASE ( 'g_OCSV' )
10147	IF ( .NOT. ALLOCATED( g_ocsv_av ) ) THEN
10148	ALLOCATE( g_ocsv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10149	ENDIF
10150	g_ocsv_av = 0.0_wp
10151
10152	CASE ( 'LDSA' )
10153	IF ( .NOT. ALLOCATED( ldsa_av ) ) THEN
10154	ALLOCATE( ldsa_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10155	ENDIF
10156	ldsa_av = 0.0_wp
10157
10158	CASE ( 'N_UFP' )
10159	IF ( .NOT. ALLOCATED( nufp_av ) ) THEN
10160	ALLOCATE( nufp_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10161	ENDIF
10162	nufp_av = 0.0_wp
10163
10164	CASE ( 'Ntot' )
10165	IF ( .NOT. ALLOCATED( ntot_av ) ) THEN
10166	ALLOCATE( ntot_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10167	ENDIF
10168	ntot_av = 0.0_wp
10169
10170	CASE ( 'PM0.1' )
10171	IF ( .NOT. ALLOCATED( pm01_av ) ) THEN
10172	ALLOCATE( pm01_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10173	ENDIF
10174	pm01_av = 0.0_wp
10175
10176	CASE ( 'PM2.5' )
10177	IF ( .NOT. ALLOCATED( pm25_av ) ) THEN
10178	ALLOCATE( pm25_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10179	ENDIF
10180	pm25_av = 0.0_wp
10181
10182	CASE ( 'PM10' )
10183	IF ( .NOT. ALLOCATED( pm10_av ) ) THEN
10184	ALLOCATE( pm10_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10185	ENDIF
10186	pm10_av = 0.0_wp
10187
10188	CASE ( 's_BC' )
10189	IF ( .NOT. ALLOCATED( s_bc_av ) ) THEN
10190	ALLOCATE( s_bc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10191	ENDIF
10192	s_bc_av = 0.0_wp
10193
10194	CASE ( 's_DU' )
10195	IF ( .NOT. ALLOCATED( s_du_av ) ) THEN
10196	ALLOCATE( s_du_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10197	ENDIF
10198	s_du_av = 0.0_wp
10199
10200	CASE ( 's_H2O' )
10201	IF ( .NOT. ALLOCATED( s_h2o_av ) ) THEN
10202	ALLOCATE( s_h2o_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10203	ENDIF
10204	s_h2o_av = 0.0_wp
10205
10206	CASE ( 's_NH' )
10207	IF ( .NOT. ALLOCATED( s_nh_av ) ) THEN
10208	ALLOCATE( s_nh_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10209	ENDIF
10210	s_nh_av = 0.0_wp
10211
10212	CASE ( 's_NO' )
10213	IF ( .NOT. ALLOCATED( s_no_av ) ) THEN
10214	ALLOCATE( s_no_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10215	ENDIF
10216	s_no_av = 0.0_wp
10217
10218	CASE ( 's_OC' )
10219	IF ( .NOT. ALLOCATED( s_oc_av ) ) THEN
10220	ALLOCATE( s_oc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10221	ENDIF
10222	s_oc_av = 0.0_wp
10223
10224	CASE ( 's_SO4' )
10225	IF ( .NOT. ALLOCATED( s_so4_av ) ) THEN
10226	ALLOCATE( s_so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10227	ENDIF
10228	s_so4_av = 0.0_wp
10229
10230	CASE ( 's_SS' )
10231	IF ( .NOT. ALLOCATED( s_ss_av ) ) THEN
10232	ALLOCATE( s_ss_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10233	ENDIF
10234	s_ss_av = 0.0_wp
10235
10236	CASE DEFAULT
10237	CONTINUE
10238
10239	END SELECT
10240
10241	ENDIF
10242
10243	ELSEIF ( mode == 'sum' ) THEN
10244
10245	IF ( variable(7:11) == 'N_bin' ) THEN
10246	READ( variable(12:),* ) char_to_int
10247	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10248	ib = char_to_int
10249	DO i = nxlg, nxrg
10250	DO j = nysg, nyng
10251	DO k = nzb, nzt+1
10252	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) + aerosol_number(ib)%conc(k,j,i)
10253	ENDDO
10254	ENDDO
10255	ENDDO
10256	ENDIF
10257
10258	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10259	READ( variable(12:),* ) char_to_int
10260	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10261	ib = char_to_int
10262	DO i = nxlg, nxrg
10263	DO j = nysg, nyng
10264	DO k = nzb, nzt+1
10265	temp_bin = 0.0_wp
10266	DO ic = ib, nbins_aerosol * ncomponents_mass, nbins_aerosol
10267	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10268	ENDDO
10269	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) + temp_bin
10270	ENDDO
10271	ENDDO
10272	ENDDO
10273	ENDIF
10274	ELSE
10275
10276	SELECT CASE ( TRIM( variable(7:) ) )
10277
10278	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10279
10280	vari = TRIM( variable(9:) ) ! remove salsa_g_ from beginning
10281
10282	SELECT CASE( vari )
10283
10284	CASE( 'H2SO4' )
10285	found_index = 1
10286	to_be_resorted => g_h2so4_av
10287
10288	CASE( 'HNO3' )
10289	found_index = 2
10290	to_be_resorted => g_hno3_av
10291
10292	CASE( 'NH3' )
10293	found_index = 3
10294	to_be_resorted => g_nh3_av
10295
10296	CASE( 'OCNV' )
10297	found_index = 4
10298	to_be_resorted => g_ocnv_av
10299
10300	CASE( 'OCSV' )
10301	found_index = 5
10302	to_be_resorted => g_ocsv_av
10303
10304	END SELECT
10305
10306	DO i = nxlg, nxrg
10307	DO j = nysg, nyng
10308	DO k = nzb, nzt+1
10309	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
10310	salsa_gas(found_index)%conc(k,j,i)
10311	ENDDO
10312	ENDDO
10313	ENDDO
10314
10315	CASE ( 'LDSA' )
10316	DO i = nxlg, nxrg
10317	DO j = nysg, nyng
10318	DO k = nzb, nzt+1
10319	temp_bin = 0.0_wp
10320	DO ib = 1, nbins_aerosol
10321	!
10322	!-- Diameter in micrometres
10323	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10324	!
10325	!-- Deposition factor: alveolar (use ra_dry)
10326	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10327	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10328	1.362_wp )**2 ) )
10329	!
10330	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10331	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10332	aerosol_number(ib)%conc(k,j,i)
10333	ENDDO
10334	ldsa_av(k,j,i) = ldsa_av(k,j,i) + temp_bin
10335	ENDDO
10336	ENDDO
10337	ENDDO
10338
10339	CASE ( 'N_UFP' )
10340	DO i = nxlg, nxrg
10341	DO j = nysg, nyng
10342	DO k = nzb, nzt+1
10343	temp_bin = 0.0_wp
10344	DO ib = 1, nbins_aerosol
10345	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10346	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10347	ENDIF
10348	ENDDO
10349	nufp_av(k,j,i) = nufp_av(k,j,i) + temp_bin
10350	ENDDO
10351	ENDDO
10352	ENDDO
10353
10354	CASE ( 'Ntot' )
10355	DO i = nxlg, nxrg
10356	DO j = nysg, nyng
10357	DO k = nzb, nzt+1
10358	DO ib = 1, nbins_aerosol
10359	ntot_av(k,j,i) = ntot_av(k,j,i) + aerosol_number(ib)%conc(k,j,i)
10360	ENDDO
10361	ENDDO
10362	ENDDO
10363	ENDDO
10364
10365	CASE ( 'PM0.1' )
10366	DO i = nxlg, nxrg
10367	DO j = nysg, nyng
10368	DO k = nzb, nzt+1
10369	temp_bin = 0.0_wp
10370	DO ib = 1, nbins_aerosol
10371	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10372	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10373	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10374	ENDDO
10375	ENDIF
10376	ENDDO
10377	pm01_av(k,j,i) = pm01_av(k,j,i) + temp_bin
10378	ENDDO
10379	ENDDO
10380	ENDDO
10381
10382	CASE ( 'PM2.5' )
10383	DO i = nxlg, nxrg
10384	DO j = nysg, nyng
10385	DO k = nzb, nzt+1
10386	temp_bin = 0.0_wp
10387	DO ib = 1, nbins_aerosol
10388	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10389	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10390	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10391	ENDDO
10392	ENDIF
10393	ENDDO
10394	pm25_av(k,j,i) = pm25_av(k,j,i) + temp_bin
10395	ENDDO
10396	ENDDO
10397	ENDDO
10398
10399	CASE ( 'PM10' )
10400	DO i = nxlg, nxrg
10401	DO j = nysg, nyng
10402	DO k = nzb, nzt+1
10403	temp_bin = 0.0_wp
10404	DO ib = 1, nbins_aerosol
10405	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10406	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10407	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10408	ENDDO
10409	ENDIF
10410	ENDDO
10411	pm10_av(k,j,i) = pm10_av(k,j,i) + temp_bin
10412	ENDDO
10413	ENDDO
10414	ENDDO
10415
10416	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10417	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
10418	found_index = get_index( prtcl, TRIM( variable(9:) ) )
10419	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
10420	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
10421	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
10422	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
10423	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
10424	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
10425	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
10426	DO i = nxlg, nxrg
10427	DO j = nysg, nyng
10428	DO k = nzb, nzt+1
10429	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10430	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
10431	aerosol_mass(ic)%conc(k,j,i)
10432	ENDDO
10433	ENDDO
10434	ENDDO
10435	ENDDO
10436	ENDIF
10437
10438	CASE ( 's_H2O' )
10439	found_index = get_index( prtcl,'H2O' )
10440	to_be_resorted => s_h2o_av
10441	DO i = nxlg, nxrg
10442	DO j = nysg, nyng
10443	DO k = nzb, nzt+1
10444	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10445	s_h2o_av(k,j,i) = s_h2o_av(k,j,i) + aerosol_mass(ic)%conc(k,j,i)
10446	ENDDO
10447	ENDDO
10448	ENDDO
10449	ENDDO
10450
10451	CASE DEFAULT
10452	CONTINUE
10453
10454	END SELECT
10455
10456	ENDIF
10457
10458	ELSEIF ( mode == 'average' ) THEN
10459
10460	IF ( variable(7:11) == 'N_bin' ) THEN
10461	READ( variable(12:),* ) char_to_int
10462	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10463	ib = char_to_int
10464	DO i = nxlg, nxrg
10465	DO j = nysg, nyng
10466	DO k = nzb, nzt+1
10467	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp )
10468	ENDDO
10469	ENDDO
10470	ENDDO
10471	ENDIF
10472
10473	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10474	READ( variable(12:),* ) char_to_int
10475	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10476	ib = char_to_int
10477	DO i = nxlg, nxrg
10478	DO j = nysg, nyng
10479	DO k = nzb, nzt+1
10480	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp)
10481	ENDDO
10482	ENDDO
10483	ENDDO
10484	ENDIF
10485	ELSE
10486
10487	SELECT CASE ( TRIM( variable(7:) ) )
10488
10489	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10490	IF ( TRIM( variable(9:) ) == 'H2SO4' ) THEN ! 9: remove salsa_g_ from beginning
10491	found_index = 1
10492	to_be_resorted => g_h2so4_av
10493	ELSEIF ( TRIM( variable(9:) ) == 'HNO3' ) THEN
10494	found_index = 2
10495	to_be_resorted => g_hno3_av
10496	ELSEIF ( TRIM( variable(9:) ) == 'NH3' ) THEN
10497	found_index = 3
10498	to_be_resorted => g_nh3_av
10499	ELSEIF ( TRIM( variable(9:) ) == 'OCNV' ) THEN
10500	found_index = 4
10501	to_be_resorted => g_ocnv_av
10502	ELSEIF ( TRIM( variable(9:) ) == 'OCSV' ) THEN
10503	found_index = 5
10504	to_be_resorted => g_ocsv_av
10505	ENDIF
10506	DO i = nxlg, nxrg
10507	DO j = nysg, nyng
10508	DO k = nzb, nzt+1
10509	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10510	REAL( average_count_3d, KIND=wp )
10511	ENDDO
10512	ENDDO
10513	ENDDO
10514
10515	CASE ( 'LDSA' )
10516	DO i = nxlg, nxrg
10517	DO j = nysg, nyng
10518	DO k = nzb, nzt+1
10519	ldsa_av(k,j,i) = ldsa_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10520	ENDDO
10521	ENDDO
10522	ENDDO
10523
10524	CASE ( 'N_UFP' )
10525	DO i = nxlg, nxrg
10526	DO j = nysg, nyng
10527	DO k = nzb, nzt+1
10528	nufp_av(k,j,i) = nufp_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10529	ENDDO
10530	ENDDO
10531	ENDDO
10532
10533	CASE ( 'Ntot' )
10534	DO i = nxlg, nxrg
10535	DO j = nysg, nyng
10536	DO k = nzb, nzt+1
10537	ntot_av(k,j,i) = ntot_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10538	ENDDO
10539	ENDDO
10540	ENDDO
10541
10542
10543	CASE ( 'PM0.1' )
10544	DO i = nxlg, nxrg
10545	DO j = nysg, nyng
10546	DO k = nzb, nzt+1
10547	pm01_av(k,j,i) = pm01_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10548	ENDDO
10549	ENDDO
10550	ENDDO
10551
10552	CASE ( 'PM2.5' )
10553	DO i = nxlg, nxrg
10554	DO j = nysg, nyng
10555	DO k = nzb, nzt+1
10556	pm25_av(k,j,i) = pm25_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10557	ENDDO
10558	ENDDO
10559	ENDDO
10560
10561	CASE ( 'PM10' )
10562	DO i = nxlg, nxrg
10563	DO j = nysg, nyng
10564	DO k = nzb, nzt+1
10565	pm10_av(k,j,i) = pm10_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10566	ENDDO
10567	ENDDO
10568	ENDDO
10569
10570	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10571	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
10572	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
10573	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
10574	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
10575	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
10576	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
10577	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
10578	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
10579	DO i = nxlg, nxrg
10580	DO j = nysg, nyng
10581	DO k = nzb, nzt+1
10582	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10583	REAL( average_count_3d, KIND=wp )
10584	ENDDO
10585	ENDDO
10586	ENDDO
10587	ENDIF
10588
10589	CASE ( 's_H2O' )
10590	to_be_resorted => s_h2o_av
10591	DO i = nxlg, nxrg
10592	DO j = nysg, nyng
10593	DO k = nzb, nzt+1
10594	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10595	REAL( average_count_3d, KIND=wp )
10596	ENDDO
10597	ENDDO
10598	ENDDO
10599
10600	END SELECT
10601
10602	ENDIF
10603	ENDIF
10604
10605	END SUBROUTINE salsa_3d_data_averaging
10606
10607
10608	!------------------------------------------------------------------------------!
10609	!
10610	! Description:
10611	! ------------
10612	!> Subroutine defining 2D output variables
10613	!------------------------------------------------------------------------------!
10614	SUBROUTINE salsa_data_output_2d( av, variable, found, grid, mode, local_pf, two_d, nzb_do, nzt_do )
10615
10616	USE indices
10617
10618	USE kinds
10619
10620
10621	IMPLICIT NONE
10622
10623	CHARACTER(LEN=*) :: grid !<
10624	CHARACTER(LEN=*) :: mode !<
10625	CHARACTER(LEN=*) :: variable !<
10626	CHARACTER(LEN=5) :: vari !< trimmed format of variable
10627
10628	INTEGER(iwp) :: av !<
10629	INTEGER(iwp) :: char_to_int !< for converting character to integer
10630	INTEGER(iwp) :: found_index !< index of a chemical compound
10631	INTEGER(iwp) :: i !<
10632	INTEGER(iwp) :: ib !< running index: size bins
10633	INTEGER(iwp) :: ic !< running index: mass bins
10634	INTEGER(iwp) :: j !<
10635	INTEGER(iwp) :: k !<
10636	INTEGER(iwp) :: nzb_do !<
10637	INTEGER(iwp) :: nzt_do !<
10638
10639	LOGICAL :: found !<
10640	LOGICAL :: two_d !< flag parameter to indicate 2D variables (horizontal cross sections)
10641
10642	REAL(wp) :: df !< For calculating LDSA: fraction of particles
10643	!< depositing in the alveolar (or tracheobronchial)
10644	!< region of the lung. Depends on the particle size
10645	REAL(wp) :: mean_d !< Particle diameter in micrometres
10646	REAL(wp) :: temp_bin !< temporary array for calculating output variables
10647
10648	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< output
10649
10650	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
10651	!
10652	!-- Next statement is to avoid compiler warning about unused variable. May be removed in future.
10653	IF ( two_d ) CONTINUE
10654
10655	found = .TRUE.
10656	temp_bin = 0.0_wp
10657
10658	IF ( variable(7:11) == 'N_bin' ) THEN
10659
10660	READ( variable( 12:LEN( TRIM( variable ) ) - 3 ), * ) char_to_int
10661	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10662
10663	ib = char_to_int
10664	IF ( av == 0 ) THEN
10665	DO i = nxl, nxr
10666	DO j = nys, nyn
10667	DO k = nzb_do, nzt_do
10668	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
10669	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10670	ENDDO
10671	ENDDO
10672	ENDDO
10673	ELSE
10674	DO i = nxl, nxr
10675	DO j = nys, nyn
10676	DO k = nzb_do, nzt_do
10677	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10678	BTEST( wall_flags_0(k,j,i), 0 ) )
10679	ENDDO
10680	ENDDO
10681	ENDDO
10682	ENDIF
10683	IF ( mode == 'xy' ) grid = 'zu'
10684	ENDIF
10685
10686	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10687
10688	READ( variable( 12:LEN( TRIM( variable ) ) - 3 ), * ) char_to_int
10689	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10690
10691	ib = char_to_int
10692	IF ( av == 0 ) THEN
10693	DO i = nxl, nxr
10694	DO j = nys, nyn
10695	DO k = nzb_do, nzt_do
10696	temp_bin = 0.0_wp
10697	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
10698	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10699	ENDDO
10700	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10701	BTEST( wall_flags_0(k,j,i), 0 ) )
10702	ENDDO
10703	ENDDO
10704	ENDDO
10705	ELSE
10706	DO i = nxl, nxr
10707	DO j = nys, nyn
10708	DO k = nzb_do, nzt_do
10709	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10710	BTEST( wall_flags_0(k,j,i), 0 ) )
10711	ENDDO
10712	ENDDO
10713	ENDDO
10714	ENDIF
10715	IF ( mode == 'xy' ) grid = 'zu'
10716	ENDIF
10717
10718	ELSE
10719
10720	SELECT CASE ( TRIM( variable( 7:LEN( TRIM( variable ) ) - 3 ) ) ) ! cut out _xy, _xz or _yz
10721
10722	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10723	vari = TRIM( variable( 9:LEN( TRIM( variable ) ) - 3 ) ) ! 9: remove salsa_g_
10724	IF ( av == 0 ) THEN
10725	IF ( vari == 'H2SO4') found_index = 1
10726	IF ( vari == 'HNO3') found_index = 2
10727	IF ( vari == 'NH3') found_index = 3
10728	IF ( vari == 'OCNV') found_index = 4
10729	IF ( vari == 'OCSV') found_index = 5
10730	DO i = nxl, nxr
10731	DO j = nys, nyn
10732	DO k = nzb_do, nzt_do
10733	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
10734	REAL( fill_value, KIND = wp ), &
10735	BTEST( wall_flags_0(k,j,i), 0 ) )
10736	ENDDO
10737	ENDDO
10738	ENDDO
10739	ELSE
10740	IF ( vari == 'H2SO4' ) to_be_resorted => g_h2so4_av
10741	IF ( vari == 'HNO3' ) to_be_resorted => g_hno3_av
10742	IF ( vari == 'NH3' ) to_be_resorted => g_nh3_av
10743	IF ( vari == 'OCNV' ) to_be_resorted => g_ocnv_av
10744	IF ( vari == 'OCSV' ) to_be_resorted => g_ocsv_av
10745	DO i = nxl, nxr
10746	DO j = nys, nyn
10747	DO k = nzb_do, nzt_do
10748	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10749	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10750	ENDDO
10751	ENDDO
10752	ENDDO
10753	ENDIF
10754
10755	IF ( mode == 'xy' ) grid = 'zu'
10756
10757	CASE ( 'LDSA' )
10758	IF ( av == 0 ) THEN
10759	DO i = nxl, nxr
10760	DO j = nys, nyn
10761	DO k = nzb_do, nzt_do
10762	temp_bin = 0.0_wp
10763	DO ib = 1, nbins_aerosol
10764	!
10765	!-- Diameter in micrometres
10766	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10767	!
10768	!-- Deposition factor: alveolar
10769	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10770	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10771	1.362_wp )**2 ) )
10772	!
10773	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10774	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10775	aerosol_number(ib)%conc(k,j,i)
10776	ENDDO
10777
10778	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10779	BTEST( wall_flags_0(k,j,i), 0 ) )
10780	ENDDO
10781	ENDDO
10782	ENDDO
10783	ELSE
10784	DO i = nxl, nxr
10785	DO j = nys, nyn
10786	DO k = nzb_do, nzt_do
10787	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
10788	BTEST( wall_flags_0(k,j,i), 0 ) )
10789	ENDDO
10790	ENDDO
10791	ENDDO
10792	ENDIF
10793
10794	IF ( mode == 'xy' ) grid = 'zu'
10795
10796	CASE ( 'N_UFP' )
10797
10798	IF ( av == 0 ) THEN
10799	DO i = nxl, nxr
10800	DO j = nys, nyn
10801	DO k = nzb_do, nzt_do
10802	temp_bin = 0.0_wp
10803	DO ib = 1, nbins_aerosol
10804	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10805	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10806	ENDIF
10807	ENDDO
10808	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10809	BTEST( wall_flags_0(k,j,i), 0 ) )
10810	ENDDO
10811	ENDDO
10812	ENDDO
10813	ELSE
10814	DO i = nxl, nxr
10815	DO j = nys, nyn
10816	DO k = nzb_do, nzt_do
10817	local_pf(i,j,k) = MERGE( nufp_av(k,j,i), REAL( fill_value, KIND = wp ), &
10818	BTEST( wall_flags_0(k,j,i), 0 ) )
10819	ENDDO
10820	ENDDO
10821	ENDDO
10822	ENDIF
10823
10824	IF ( mode == 'xy' ) grid = 'zu'
10825
10826	CASE ( 'Ntot' )
10827
10828	IF ( av == 0 ) THEN
10829	DO i = nxl, nxr
10830	DO j = nys, nyn
10831	DO k = nzb_do, nzt_do
10832	temp_bin = 0.0_wp
10833	DO ib = 1, nbins_aerosol
10834	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10835	ENDDO
10836	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10837	BTEST( wall_flags_0(k,j,i), 0 ) )
10838	ENDDO
10839	ENDDO
10840	ENDDO
10841	ELSE
10842	DO i = nxl, nxr
10843	DO j = nys, nyn
10844	DO k = nzb_do, nzt_do
10845	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
10846	BTEST( wall_flags_0(k,j,i), 0 ) )
10847	ENDDO
10848	ENDDO
10849	ENDDO
10850	ENDIF
10851
10852	IF ( mode == 'xy' ) grid = 'zu'
10853
10854	CASE ( 'PM0.1' )
10855	IF ( av == 0 ) THEN
10856	DO i = nxl, nxr
10857	DO j = nys, nyn
10858	DO k = nzb_do, nzt_do
10859	temp_bin = 0.0_wp
10860	DO ib = 1, nbins_aerosol
10861	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10862	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10863	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10864	ENDDO
10865	ENDIF
10866	ENDDO
10867	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10868	BTEST( wall_flags_0(k,j,i), 0 ) )
10869	ENDDO
10870	ENDDO
10871	ENDDO
10872	ELSE
10873	DO i = nxl, nxr
10874	DO j = nys, nyn
10875	DO k = nzb_do, nzt_do
10876	local_pf(i,j,k) = MERGE( pm01_av(k,j,i), REAL( fill_value, KIND = wp ), &
10877	BTEST( wall_flags_0(k,j,i), 0 ) )
10878	ENDDO
10879	ENDDO
10880	ENDDO
10881	ENDIF
10882
10883	IF ( mode == 'xy' ) grid = 'zu'
10884
10885	CASE ( 'PM2.5' )
10886	IF ( av == 0 ) THEN
10887	DO i = nxl, nxr
10888	DO j = nys, nyn
10889	DO k = nzb_do, nzt_do
10890	temp_bin = 0.0_wp
10891	DO ib = 1, nbins_aerosol
10892	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10893	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10894	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10895	ENDDO
10896	ENDIF
10897	ENDDO
10898	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10899	BTEST( wall_flags_0(k,j,i), 0 ) )
10900	ENDDO
10901	ENDDO
10902	ENDDO
10903	ELSE
10904	DO i = nxl, nxr
10905	DO j = nys, nyn
10906	DO k = nzb_do, nzt_do
10907	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
10908	BTEST( wall_flags_0(k,j,i), 0 ) )
10909	ENDDO
10910	ENDDO
10911	ENDDO
10912	ENDIF
10913
10914	IF ( mode == 'xy' ) grid = 'zu'
10915
10916	CASE ( 'PM10' )
10917	IF ( av == 0 ) THEN
10918	DO i = nxl, nxr
10919	DO j = nys, nyn
10920	DO k = nzb_do, nzt_do
10921	temp_bin = 0.0_wp
10922	DO ib = 1, nbins_aerosol
10923	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10924	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10925	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10926	ENDDO
10927	ENDIF
10928	ENDDO
10929	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10930	BTEST( wall_flags_0(k,j,i), 0 ) )
10931	ENDDO
10932	ENDDO
10933	ENDDO
10934	ELSE
10935	DO i = nxl, nxr
10936	DO j = nys, nyn
10937	DO k = nzb_do, nzt_do
10938	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
10939	BTEST( wall_flags_0(k,j,i), 0 ) )
10940	ENDDO
10941	ENDDO
10942	ENDDO
10943	ENDIF
10944
10945	IF ( mode == 'xy' ) grid = 'zu'
10946
10947	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10948	vari = TRIM( variable( 9:LEN( TRIM( variable ) ) - 3 ) ) ! 9: remove salsa_s_
10949	IF ( is_used( prtcl, vari ) ) THEN
10950	found_index = get_index( prtcl, vari )
10951	IF ( av == 0 ) THEN
10952	DO i = nxl, nxr
10953	DO j = nys, nyn
10954	DO k = nzb_do, nzt_do
10955	temp_bin = 0.0_wp
10956	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
10957	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10958	ENDDO
10959	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10960	BTEST( wall_flags_0(k,j,i), 0 ) )
10961	ENDDO
10962	ENDDO
10963	ENDDO
10964	ELSE
10965	IF ( vari == 'BC' ) to_be_resorted => s_bc_av
10966	IF ( vari == 'DU' ) to_be_resorted => s_du_av
10967	IF ( vari == 'NH' ) to_be_resorted => s_nh_av
10968	IF ( vari == 'NO' ) to_be_resorted => s_no_av
10969	IF ( vari == 'OC' ) to_be_resorted => s_oc_av
10970	IF ( vari == 'SO4' ) to_be_resorted => s_so4_av
10971	IF ( vari == 'SS' ) to_be_resorted => s_ss_av
10972	DO i = nxl, nxr
10973	DO j = nys, nyn
10974	DO k = nzb_do, nzt_do
10975	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10976	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10977	ENDDO
10978	ENDDO
10979	ENDDO
10980	ENDIF
10981	ELSE
10982	local_pf = fill_value
10983	ENDIF
10984
10985	IF ( mode == 'xy' ) grid = 'zu'
10986
10987	CASE ( 's_H2O' )
10988	found_index = get_index( prtcl, 'H2O' )
10989	IF ( av == 0 ) THEN
10990	DO i = nxl, nxr
10991	DO j = nys, nyn
10992	DO k = nzb_do, nzt_do
10993	temp_bin = 0.0_wp
10994	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
10995	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10996	ENDDO
10997	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10998	BTEST( wall_flags_0(k,j,i), 0 ) )
10999	ENDDO
11000	ENDDO
11001	ENDDO
11002	ELSE
11003	to_be_resorted => s_h2o_av
11004	DO i = nxl, nxr
11005	DO j = nys, nyn
11006	DO k = nzb_do, nzt_do
11007	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11008	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11009	ENDDO
11010	ENDDO
11011	ENDDO
11012	ENDIF
11013
11014	IF ( mode == 'xy' ) grid = 'zu'
11015
11016	CASE DEFAULT
11017	found = .FALSE.
11018	grid = 'none'
11019
11020	END SELECT
11021
11022	ENDIF
11023
11024	END SUBROUTINE salsa_data_output_2d
11025
11026	!------------------------------------------------------------------------------!
11027	!
11028	! Description:
11029	! ------------
11030	!> Subroutine defining 3D output variables
11031	!------------------------------------------------------------------------------!
11032	SUBROUTINE salsa_data_output_3d( av, variable, found, local_pf, nzb_do, nzt_do )
11033
11034	USE indices
11035
11036	USE kinds
11037
11038
11039	IMPLICIT NONE
11040
11041	CHARACTER(LEN=*), INTENT(in) :: variable !<
11042
11043	INTEGER(iwp) :: av !<
11044	INTEGER(iwp) :: char_to_int !< for converting character to integer
11045	INTEGER(iwp) :: found_index !< index of a chemical compound
11046	INTEGER(iwp) :: ib !< running index: size bins
11047	INTEGER(iwp) :: ic !< running index: mass bins
11048	INTEGER(iwp) :: i !<
11049	INTEGER(iwp) :: j !<
11050	INTEGER(iwp) :: k !<
11051	INTEGER(iwp) :: nzb_do !<
11052	INTEGER(iwp) :: nzt_do !<
11053
11054	LOGICAL :: found !<
11055
11056	REAL(wp) :: df !< For calculating LDSA: fraction of particles
11057	!< depositing in the alveolar (or tracheobronchial)
11058	!< region of the lung. Depends on the particle size
11059	REAL(wp) :: mean_d !< Particle diameter in micrometres
11060	REAL(wp) :: temp_bin !< temporary array for calculating output variables
11061
11062	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< local
11063
11064	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
11065
11066	found = .TRUE.
11067	temp_bin = 0.0_wp
11068
11069	IF ( variable(7:11) == 'N_bin' ) THEN
11070	READ( variable(12:),* ) char_to_int
11071	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11072
11073	ib = char_to_int
11074	IF ( av == 0 ) THEN
11075	DO i = nxl, nxr
11076	DO j = nys, nyn
11077	DO k = nzb_do, nzt_do
11078	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
11079	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11080	ENDDO
11081	ENDDO
11082	ENDDO
11083	ELSE
11084	DO i = nxl, nxr
11085	DO j = nys, nyn
11086	DO k = nzb_do, nzt_do
11087	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
11088	BTEST( wall_flags_0(k,j,i), 0 ) )
11089	ENDDO
11090	ENDDO
11091	ENDDO
11092	ENDIF
11093	ENDIF
11094
11095	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
11096	READ( variable(12:),* ) char_to_int
11097	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11098
11099	ib = char_to_int
11100	IF ( av == 0 ) THEN
11101	DO i = nxl, nxr
11102	DO j = nys, nyn
11103	DO k = nzb_do, nzt_do
11104	temp_bin = 0.0_wp
11105	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
11106	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11107	ENDDO
11108	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11109	BTEST( wall_flags_0(k,j,i), 0 ) )
11110	ENDDO
11111	ENDDO
11112	ENDDO
11113	ELSE
11114	DO i = nxl, nxr
11115	DO j = nys, nyn
11116	DO k = nzb_do, nzt_do
11117	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
11118	BTEST( wall_flags_0(k,j,i), 0 ) )
11119	ENDDO
11120	ENDDO
11121	ENDDO
11122	ENDIF
11123	ENDIF
11124
11125	ELSE
11126	SELECT CASE ( TRIM( variable(7:) ) )
11127
11128	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
11129	IF ( av == 0 ) THEN
11130	IF ( TRIM( variable(7:) ) == 'g_H2SO4') found_index = 1
11131	IF ( TRIM( variable(7:) ) == 'g_HNO3') found_index = 2
11132	IF ( TRIM( variable(7:) ) == 'g_NH3') found_index = 3
11133	IF ( TRIM( variable(7:) ) == 'g_OCNV') found_index = 4
11134	IF ( TRIM( variable(7:) ) == 'g_OCSV') found_index = 5
11135
11136	DO i = nxl, nxr
11137	DO j = nys, nyn
11138	DO k = nzb_do, nzt_do
11139	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
11140	REAL( fill_value, KIND = wp ), &
11141	BTEST( wall_flags_0(k,j,i), 0 ) )
11142	ENDDO
11143	ENDDO
11144	ENDDO
11145	ELSE
11146	!
11147	!-- 9: remove salsa_g_ from the beginning
11148	IF ( TRIM( variable(9:) ) == 'H2SO4' ) to_be_resorted => g_h2so4_av
11149	IF ( TRIM( variable(9:) ) == 'HNO3' ) to_be_resorted => g_hno3_av
11150	IF ( TRIM( variable(9:) ) == 'NH3' ) to_be_resorted => g_nh3_av
11151	IF ( TRIM( variable(9:) ) == 'OCNV' ) to_be_resorted => g_ocnv_av
11152	IF ( TRIM( variable(9:) ) == 'OCSV' ) to_be_resorted => g_ocsv_av
11153	DO i = nxl, nxr
11154	DO j = nys, nyn
11155	DO k = nzb_do, nzt_do
11156	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11157	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11158	ENDDO
11159	ENDDO
11160	ENDDO
11161	ENDIF
11162
11163	CASE ( 'LDSA' )
11164	IF ( av == 0 ) THEN
11165	DO i = nxl, nxr
11166	DO j = nys, nyn
11167	DO k = nzb_do, nzt_do
11168	temp_bin = 0.0_wp
11169	DO ib = 1, nbins_aerosol
11170	!
11171	!-- Diameter in micrometres
11172	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
11173	!
11174	!-- Deposition factor: alveolar
11175	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
11176	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
11177	1.362_wp )**2 ) )
11178	!
11179	!-- Lung-deposited surface area LDSA (units mum2/cm3)
11180	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
11181	aerosol_number(ib)%conc(k,j,i)
11182	ENDDO
11183	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11184	BTEST( wall_flags_0(k,j,i), 0 ) )
11185	ENDDO
11186	ENDDO
11187	ENDDO
11188	ELSE
11189	DO i = nxl, nxr
11190	DO j = nys, nyn
11191	DO k = nzb_do, nzt_do
11192	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
11193	BTEST( wall_flags_0(k,j,i), 0 ) )
11194	ENDDO
11195	ENDDO
11196	ENDDO
11197	ENDIF
11198
11199	CASE ( 'N_UFP' )
11200	IF ( av == 0 ) THEN
11201	DO i = nxl, nxr
11202	DO j = nys, nyn
11203	DO k = nzb_do, nzt_do
11204	temp_bin = 0.0_wp
11205	DO ib = 1, nbins_aerosol
11206	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11207	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11208	ENDIF
11209	ENDDO
11210	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11211	BTEST( wall_flags_0(k,j,i), 0 ) )
11212	ENDDO
11213	ENDDO
11214	ENDDO
11215	ELSE
11216	DO i = nxl, nxr
11217	DO j = nys, nyn
11218	DO k = nzb_do, nzt_do
11219	local_pf(i,j,k) = MERGE( nufp_av(k,j,i), REAL( fill_value, KIND = wp ), &
11220	BTEST( wall_flags_0(k,j,i), 0 ) )
11221	ENDDO
11222	ENDDO
11223	ENDDO
11224	ENDIF
11225
11226	CASE ( 'Ntot' )
11227	IF ( av == 0 ) THEN
11228	DO i = nxl, nxr
11229	DO j = nys, nyn
11230	DO k = nzb_do, nzt_do
11231	temp_bin = 0.0_wp
11232	DO ib = 1, nbins_aerosol
11233	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11234	ENDDO
11235	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11236	BTEST( wall_flags_0(k,j,i), 0 ) )
11237	ENDDO
11238	ENDDO
11239	ENDDO
11240	ELSE
11241	DO i = nxl, nxr
11242	DO j = nys, nyn
11243	DO k = nzb_do, nzt_do
11244	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
11245	BTEST( wall_flags_0(k,j,i), 0 ) )
11246	ENDDO
11247	ENDDO
11248	ENDDO
11249	ENDIF
11250
11251	CASE ( 'PM0.1' )
11252	IF ( av == 0 ) THEN
11253	DO i = nxl, nxr
11254	DO j = nys, nyn
11255	DO k = nzb_do, nzt_do
11256	temp_bin = 0.0_wp
11257	DO ib = 1, nbins_aerosol
11258	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11259	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11260	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11261	ENDDO
11262	ENDIF
11263	ENDDO
11264	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11265	BTEST( wall_flags_0(k,j,i), 0 ) )
11266	ENDDO
11267	ENDDO
11268	ENDDO
11269	ELSE
11270	DO i = nxl, nxr
11271	DO j = nys, nyn
11272	DO k = nzb_do, nzt_do
11273	local_pf(i,j,k) = MERGE( pm01_av(k,j,i), REAL( fill_value, KIND = wp ), &
11274	BTEST( wall_flags_0(k,j,i), 0 ) )
11275	ENDDO
11276	ENDDO
11277	ENDDO
11278	ENDIF
11279
11280	CASE ( 'PM2.5' )
11281	IF ( av == 0 ) THEN
11282	DO i = nxl, nxr
11283	DO j = nys, nyn
11284	DO k = nzb_do, nzt_do
11285	temp_bin = 0.0_wp
11286	DO ib = 1, nbins_aerosol
11287	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
11288	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11289	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11290	ENDDO
11291	ENDIF
11292	ENDDO
11293	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11294	BTEST( wall_flags_0(k,j,i), 0 ) )
11295	ENDDO
11296	ENDDO
11297	ENDDO
11298	ELSE
11299	DO i = nxl, nxr
11300	DO j = nys, nyn
11301	DO k = nzb_do, nzt_do
11302	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
11303	BTEST( wall_flags_0(k,j,i), 0 ) )
11304	ENDDO
11305	ENDDO
11306	ENDDO
11307	ENDIF
11308
11309	CASE ( 'PM10' )
11310	IF ( av == 0 ) THEN
11311	DO i = nxl, nxr
11312	DO j = nys, nyn
11313	DO k = nzb_do, nzt_do
11314	temp_bin = 0.0_wp
11315	DO ib = 1, nbins_aerosol
11316	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
11317	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11318	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11319	ENDDO
11320	ENDIF
11321	ENDDO
11322	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11323	BTEST( wall_flags_0(k,j,i), 0 ) )
11324	ENDDO
11325	ENDDO
11326	ENDDO
11327	ELSE
11328	DO i = nxl, nxr
11329	DO j = nys, nyn
11330	DO k = nzb_do, nzt_do
11331	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
11332	BTEST( wall_flags_0(k,j,i), 0 ) )
11333	ENDDO
11334	ENDDO
11335	ENDDO
11336	ENDIF
11337
11338	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
11339	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
11340	found_index = get_index( prtcl, TRIM( variable(9:) ) )
11341	IF ( av == 0 ) THEN
11342	DO i = nxl, nxr
11343	DO j = nys, nyn
11344	DO k = nzb_do, nzt_do
11345	temp_bin = 0.0_wp
11346	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11347	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11348	ENDDO
11349	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11350	BTEST( wall_flags_0(k,j,i), 0 ) )
11351	ENDDO
11352	ENDDO
11353	ENDDO
11354	ELSE
11355	!
11356	!-- 9: remove salsa_s_ from the beginning
11357	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
11358	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
11359	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
11360	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
11361	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
11362	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
11363	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
11364	DO i = nxl, nxr
11365	DO j = nys, nyn
11366	DO k = nzb_do, nzt_do
11367	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11368	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11369	ENDDO
11370	ENDDO
11371	ENDDO
11372	ENDIF
11373	ENDIF
11374
11375	CASE ( 's_H2O' )
11376	found_index = get_index( prtcl, 'H2O' )
11377	IF ( av == 0 ) THEN
11378	DO i = nxl, nxr
11379	DO j = nys, nyn
11380	DO k = nzb_do, nzt_do
11381	temp_bin = 0.0_wp
11382	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11383	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11384	ENDDO
11385	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11386	BTEST( wall_flags_0(k,j,i), 0 ) )
11387	ENDDO
11388	ENDDO
11389	ENDDO
11390	ELSE
11391	to_be_resorted => s_h2o_av
11392	DO i = nxl, nxr
11393	DO j = nys, nyn
11394	DO k = nzb_do, nzt_do
11395	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11396	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11397	ENDDO
11398	ENDDO
11399	ENDDO
11400	ENDIF
11401
11402	CASE DEFAULT
11403	found = .FALSE.
11404
11405	END SELECT
11406	ENDIF
11407
11408	END SUBROUTINE salsa_data_output_3d
11409
11410	!------------------------------------------------------------------------------!
11411	!
11412	! Description:
11413	! ------------
11414	!> Subroutine defining mask output variables
11415	!------------------------------------------------------------------------------!
11416	SUBROUTINE salsa_data_output_mask( av, variable, found, local_pf, mid )
11417
11418	USE arrays_3d, &
11419	ONLY: tend
11420
11421	USE control_parameters, &
11422	ONLY: mask_i, mask_j, mask_k, mask_size_l, mask_surface, nz_do3d
11423
11424	IMPLICIT NONE
11425
11426	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grid
11427	CHARACTER(LEN=*) :: variable !<
11428	CHARACTER(LEN=7) :: vari !< trimmed format of variable
11429
11430	INTEGER(iwp) :: av !<
11431	INTEGER(iwp) :: char_to_int !< for converting character to integer
11432	INTEGER(iwp) :: found_index !< index of a chemical compound
11433	INTEGER(iwp) :: ib !< loop index for aerosol size number bins
11434	INTEGER(iwp) :: ic !< loop index for chemical components
11435	INTEGER(iwp) :: i !< loop index in x-direction
11436	INTEGER(iwp) :: j !< loop index in y-direction
11437	INTEGER(iwp) :: k !< loop index in z-direction
11438	INTEGER(iwp) :: im !< loop index for masked variables
11439	INTEGER(iwp) :: jm !< loop index for masked variables
11440	INTEGER(iwp) :: kk !< loop index for masked output in z-direction
11441	INTEGER(iwp) :: mid !< masked output running index
11442	INTEGER(iwp) :: ktt !< k index of highest terrain surface
11443
11444	LOGICAL :: found !<
11445	LOGICAL :: resorted !<
11446
11447	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
11448	!< (or tracheobronchial) region of the lung. Depends on the particle size
11449	REAL(wp) :: mean_d !< Particle diameter in micrometres
11450	REAL(wp) :: temp_bin !< temporary array for calculating output variables
11451
11452	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: local_pf !<
11453
11454	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg), TARGET :: temp_array !< temporary array
11455
11456	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
11457
11458	found = .TRUE.
11459	resorted = .FALSE.
11460	grid = 's'
11461	temp_array = 0.0_wp
11462	temp_bin = 0.0_wp
11463
11464	IF ( variable(7:11) == 'N_bin' ) THEN
11465	READ( variable(12:),* ) char_to_int
11466	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11467	ib = char_to_int
11468	IF ( av == 0 ) THEN
11469	IF ( .NOT. mask_surface(mid) ) THEN
11470	DO i = 1, mask_size_l(mid,1)
11471	DO j = 1, mask_size_l(mid,2)
11472	DO k = 1, mask_size_l(mid,3)
11473	local_pf(i,j,k) = aerosol_number(ib)%conc( mask_k(mid,k), mask_j(mid,j), &
11474	mask_i(mid,i) )
11475	ENDDO
11476	ENDDO
11477	ENDDO
11478	ELSE
11479	DO i = 1, mask_size_l(mid,1)
11480	DO j = 1, mask_size_l(mid,2)
11481	!
11482	!-- Get k index of the highest terraing surface
11483	im = mask_i(mid,i)
11484	jm = mask_j(mid,j)
11485	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11486	DO k = 1, mask_size_l(mid,3)
11487	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11488	!
11489	!-- Set value if not in building
11490	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11491	local_pf(i,j,k) = fill_value
11492	ELSE
11493	local_pf(i,j,k) = aerosol_number(ib)%conc(kk,jm,im)
11494	ENDIF
11495	ENDDO
11496	ENDDO
11497	ENDDO
11498	ENDIF
11499	resorted = .TRUE.
11500	ELSE
11501	temp_array = nbins_av(:,:,:,ib)
11502	to_be_resorted => temp_array
11503	ENDIF
11504	ENDIF
11505
11506	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
11507
11508	READ( variable(12:),* ) char_to_int
11509	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11510
11511	ib = char_to_int
11512	IF ( av == 0 ) THEN
11513	DO i = nxl, nxr
11514	DO j = nys, nyn
11515	DO k = nzb, nz_do3d
11516	temp_bin = 0.0_wp
11517	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
11518	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11519	ENDDO
11520	tend(k,j,i) = temp_bin
11521	ENDDO
11522	ENDDO
11523	ENDDO
11524	IF ( .NOT. mask_surface(mid) ) THEN
11525	DO i = 1, mask_size_l(mid,1)
11526	DO j = 1, mask_size_l(mid,2)
11527	DO k = 1, mask_size_l(mid,3)
11528	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11529	ENDDO
11530	ENDDO
11531	ENDDO
11532	ELSE
11533	DO i = 1, mask_size_l(mid,1)
11534	DO j = 1, mask_size_l(mid,2)
11535	!
11536	!-- Get k index of the highest terraing surface
11537	im = mask_i(mid,i)
11538	jm = mask_j(mid,j)
11539	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11540	DO k = 1, mask_size_l(mid,3)
11541	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11542	!
11543	!-- Set value if not in building
11544	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11545	local_pf(i,j,k) = fill_value
11546	ELSE
11547	local_pf(i,j,k) = tend(kk,jm,im)
11548	ENDIF
11549	ENDDO
11550	ENDDO
11551	ENDDO
11552	ENDIF
11553	resorted = .TRUE.
11554	ELSE
11555	temp_array = mbins_av(:,:,:,ib)
11556	to_be_resorted => temp_array
11557	ENDIF
11558	ENDIF
11559
11560	ELSE
11561	SELECT CASE ( TRIM( variable(7:) ) )
11562
11563	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
11564	vari = TRIM( variable(7:) )
11565	IF ( av == 0 ) THEN
11566	IF ( vari == 'g_H2SO4') to_be_resorted => salsa_gas(1)%conc
11567	IF ( vari == 'g_HNO3') to_be_resorted => salsa_gas(2)%conc
11568	IF ( vari == 'g_NH3') to_be_resorted => salsa_gas(3)%conc
11569	IF ( vari == 'g_OCNV') to_be_resorted => salsa_gas(4)%conc
11570	IF ( vari == 'g_OCSV') to_be_resorted => salsa_gas(5)%conc
11571	ELSE
11572	IF ( vari == 'g_H2SO4') to_be_resorted => g_h2so4_av
11573	IF ( vari == 'g_HNO3') to_be_resorted => g_hno3_av
11574	IF ( vari == 'g_NH3') to_be_resorted => g_nh3_av
11575	IF ( vari == 'g_OCNV') to_be_resorted => g_ocnv_av
11576	IF ( vari == 'g_OCSV') to_be_resorted => g_ocsv_av
11577	ENDIF
11578
11579	CASE ( 'LDSA' )
11580	IF ( av == 0 ) THEN
11581	DO i = nxl, nxr
11582	DO j = nys, nyn
11583	DO k = nzb, nz_do3d
11584	temp_bin = 0.0_wp
11585	DO ib = 1, nbins_aerosol
11586	!
11587	!-- Diameter in micrometres
11588	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
11589	!
11590	!-- Deposition factor: alveolar
11591	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
11592	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
11593	1.362_wp )**2 ) )
11594	!
11595	!-- Lung-deposited surface area LDSA (units mum2/cm3)
11596	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
11597	aerosol_number(ib)%conc(k,j,i)
11598	ENDDO
11599	tend(k,j,i) = temp_bin
11600	ENDDO
11601	ENDDO
11602	ENDDO
11603	IF ( .NOT. mask_surface(mid) ) THEN
11604	DO i = 1, mask_size_l(mid,1)
11605	DO j = 1, mask_size_l(mid,2)
11606	DO k = 1, mask_size_l(mid,3)
11607	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11608	ENDDO
11609	ENDDO
11610	ENDDO
11611	ELSE
11612	DO i = 1, mask_size_l(mid,1)
11613	DO j = 1, mask_size_l(mid,2)
11614	!
11615	!-- Get k index of the highest terraing surface
11616	im = mask_i(mid,i)
11617	jm = mask_j(mid,j)
11618	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11619	DO k = 1, mask_size_l(mid,3)
11620	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11621	!
11622	!-- Set value if not in building
11623	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11624	local_pf(i,j,k) = fill_value
11625	ELSE
11626	local_pf(i,j,k) = tend(kk,jm,im)
11627	ENDIF
11628	ENDDO
11629	ENDDO
11630	ENDDO
11631	ENDIF
11632	resorted = .TRUE.
11633	ELSE
11634	to_be_resorted => ldsa_av
11635	ENDIF
11636
11637	CASE ( 'N_UFP' )
11638	IF ( av == 0 ) THEN
11639	DO i = nxl, nxr
11640	DO j = nys, nyn
11641	DO k = nzb, nz_do3d
11642	temp_bin = 0.0_wp
11643	DO ib = 1, nbins_aerosol
11644	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11645	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11646	ENDIF
11647	ENDDO
11648	tend(k,j,i) = temp_bin
11649	ENDDO
11650	ENDDO
11651	ENDDO
11652	IF ( .NOT. mask_surface(mid) ) THEN
11653	DO i = 1, mask_size_l(mid,1)
11654	DO j = 1, mask_size_l(mid,2)
11655	DO k = 1, mask_size_l(mid,3)
11656	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11657	ENDDO
11658	ENDDO
11659	ENDDO
11660	ELSE
11661	DO i = 1, mask_size_l(mid,1)
11662	DO j = 1, mask_size_l(mid,2)
11663	!
11664	!-- Get k index of the highest terraing surface
11665	im = mask_i(mid,i)
11666	jm = mask_j(mid,j)
11667	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11668	DO k = 1, mask_size_l(mid,3)
11669	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11670	!
11671	!-- Set value if not in building
11672	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11673	local_pf(i,j,k) = fill_value
11674	ELSE
11675	local_pf(i,j,k) = tend(kk,jm,im)
11676	ENDIF
11677	ENDDO
11678	ENDDO
11679	ENDDO
11680	ENDIF
11681	resorted = .TRUE.
11682	ELSE
11683	to_be_resorted => nufp_av
11684	ENDIF
11685
11686	CASE ( 'Ntot' )
11687	IF ( av == 0 ) THEN
11688	DO i = nxl, nxr
11689	DO j = nys, nyn
11690	DO k = nzb, nz_do3d
11691	temp_bin = 0.0_wp
11692	DO ib = 1, nbins_aerosol
11693	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11694	ENDDO
11695	tend(k,j,i) = temp_bin
11696	ENDDO
11697	ENDDO
11698	ENDDO
11699	IF ( .NOT. mask_surface(mid) ) THEN
11700	DO i = 1, mask_size_l(mid,1)
11701	DO j = 1, mask_size_l(mid,2)
11702	DO k = 1, mask_size_l(mid,3)
11703	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11704	ENDDO
11705	ENDDO
11706	ENDDO
11707	ELSE
11708	DO i = 1, mask_size_l(mid,1)
11709	DO j = 1, mask_size_l(mid,2)
11710	!
11711	!-- Get k index of the highest terraing surface
11712	im = mask_i(mid,i)
11713	jm = mask_j(mid,j)
11714	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11715	DO k = 1, mask_size_l(mid,3)
11716	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11717	!
11718	!-- Set value if not in building
11719	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11720	local_pf(i,j,k) = fill_value
11721	ELSE
11722	local_pf(i,j,k) = tend(kk,jm,im)
11723	ENDIF
11724	ENDDO
11725	ENDDO
11726	ENDDO
11727	ENDIF
11728	resorted = .TRUE.
11729	ELSE
11730	to_be_resorted => ntot_av
11731	ENDIF
11732
11733	CASE ( 'PM0.1' )
11734	IF ( av == 0 ) THEN
11735	DO i = nxl, nxr
11736	DO j = nys, nyn
11737	DO k = nzb, nz_do3d
11738	temp_bin = 0.0_wp
11739	DO ib = 1, nbins_aerosol
11740	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11741	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11742	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11743	ENDDO
11744	ENDIF
11745	ENDDO
11746	tend(k,j,i) = temp_bin
11747	ENDDO
11748	ENDDO
11749	ENDDO
11750	IF ( .NOT. mask_surface(mid) ) THEN
11751	DO i = 1, mask_size_l(mid,1)
11752	DO j = 1, mask_size_l(mid,2)
11753	DO k = 1, mask_size_l(mid,3)
11754	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11755	ENDDO
11756	ENDDO
11757	ENDDO
11758	ELSE
11759	DO i = 1, mask_size_l(mid,1)
11760	DO j = 1, mask_size_l(mid,2)
11761	!
11762	!-- Get k index of the highest terraing surface
11763	im = mask_i(mid,i)
11764	jm = mask_j(mid,j)
11765	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11766	DO k = 1, mask_size_l(mid,3)
11767	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11768	!
11769	!-- Set value if not in building
11770	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11771	local_pf(i,j,k) = fill_value
11772	ELSE
11773	local_pf(i,j,k) = tend(kk,jm,im)
11774	ENDIF
11775	ENDDO
11776	ENDDO
11777	ENDDO
11778	ENDIF
11779	resorted = .TRUE.
11780	ELSE
11781	to_be_resorted => pm01_av
11782	ENDIF
11783
11784	CASE ( 'PM2.5' )
11785	IF ( av == 0 ) THEN
11786	DO i = nxl, nxr
11787	DO j = nys, nyn
11788	DO k = nzb, nz_do3d
11789	temp_bin = 0.0_wp
11790	DO ib = 1, nbins_aerosol
11791	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
11792	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11793	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11794	ENDDO
11795	ENDIF
11796	ENDDO
11797	tend(k,j,i) = temp_bin
11798	ENDDO
11799	ENDDO
11800	ENDDO
11801	IF ( .NOT. mask_surface(mid) ) THEN
11802	DO i = 1, mask_size_l(mid,1)
11803	DO j = 1, mask_size_l(mid,2)
11804	DO k = 1, mask_size_l(mid,3)
11805	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11806	ENDDO
11807	ENDDO
11808	ENDDO
11809	ELSE
11810	DO i = 1, mask_size_l(mid,1)
11811	DO j = 1, mask_size_l(mid,2)
11812	!
11813	!-- Get k index of the highest terraing surface
11814	im = mask_i(mid,i)
11815	jm = mask_j(mid,j)
11816	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11817	DO k = 1, mask_size_l(mid,3)
11818	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11819	!
11820	!-- Set value if not in building
11821	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11822	local_pf(i,j,k) = fill_value
11823	ELSE
11824	local_pf(i,j,k) = tend(kk,jm,im)
11825	ENDIF
11826	ENDDO
11827	ENDDO
11828	ENDDO
11829	ENDIF
11830	resorted = .TRUE.
11831	ELSE
11832	to_be_resorted => pm25_av
11833	ENDIF
11834
11835	CASE ( 'PM10' )
11836	IF ( av == 0 ) THEN
11837	DO i = nxl, nxr
11838	DO j = nys, nyn
11839	DO k = nzb, nz_do3d
11840	temp_bin = 0.0_wp
11841	DO ib = 1, nbins_aerosol
11842	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
11843	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11844	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11845	ENDDO
11846	ENDIF
11847	ENDDO
11848	tend(k,j,i) = temp_bin
11849	ENDDO
11850	ENDDO
11851	ENDDO
11852	IF ( .NOT. mask_surface(mid) ) THEN
11853	DO i = 1, mask_size_l(mid,1)
11854	DO j = 1, mask_size_l(mid,2)
11855	DO k = 1, mask_size_l(mid,3)
11856	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11857	ENDDO
11858	ENDDO
11859	ENDDO
11860	ELSE
11861	DO i = 1, mask_size_l(mid,1)
11862	DO j = 1, mask_size_l(mid,2)
11863	!
11864	!-- Get k index of the highest terraing surface
11865	im = mask_i(mid,i)
11866	jm = mask_j(mid,j)
11867	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11868	DO k = 1, mask_size_l(mid,3)
11869	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11870	!
11871	!-- Set value if not in building
11872	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11873	local_pf(i,j,k) = fill_value
11874	ELSE
11875	local_pf(i,j,k) = tend(kk,jm,im)
11876	ENDIF
11877	ENDDO
11878	ENDDO
11879	ENDDO
11880	ENDIF
11881	resorted = .TRUE.
11882	ELSE
11883	to_be_resorted => pm10_av
11884	ENDIF
11885
11886	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
11887	IF ( av == 0 ) THEN
11888	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
11889	found_index = get_index( prtcl, TRIM( variable(3:) ) )
11890	DO i = nxl, nxr
11891	DO j = nys, nyn
11892	DO k = nzb, nz_do3d
11893	temp_bin = 0.0_wp
11894	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11895	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11896	ENDDO
11897	tend(k,j,i) = temp_bin
11898	ENDDO
11899	ENDDO
11900	ENDDO
11901	ELSE
11902	tend = 0.0_wp
11903	ENDIF
11904	IF ( .NOT. mask_surface(mid) ) THEN
11905	DO i = 1, mask_size_l(mid,1)
11906	DO j = 1, mask_size_l(mid,2)
11907	DO k = 1, mask_size_l(mid,3)
11908	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11909	ENDDO
11910	ENDDO
11911	ENDDO
11912	ELSE
11913	DO i = 1, mask_size_l(mid,1)
11914	DO j = 1, mask_size_l(mid,2)
11915	!
11916	!-- Get k index of the highest terraing surface
11917	im = mask_i(mid,i)
11918	jm = mask_j(mid,j)
11919	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11920	DO k = 1, mask_size_l(mid,3)
11921	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11922	!
11923	!-- Set value if not in building
11924	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11925	local_pf(i,j,k) = fill_value
11926	ELSE
11927	local_pf(i,j,k) = tend(kk,jm,im)
11928	ENDIF
11929	ENDDO
11930	ENDDO
11931	ENDDO
11932	ENDIF
11933	resorted = .TRUE.
11934	ELSE
11935	!
11936	!-- 9: remove salsa_s_ from the beginning
11937	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
11938	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
11939	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
11940	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
11941	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
11942	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
11943	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
11944	ENDIF
11945
11946	CASE ( 's_H2O' )
11947	IF ( av == 0 ) THEN
11948	found_index = get_index( prtcl, 'H2O' )
11949	DO i = nxl, nxr
11950	DO j = nys, nyn
11951	DO k = nzb, nz_do3d
11952	temp_bin = 0.0_wp
11953	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11954	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11955	ENDDO
11956	tend(k,j,i) = temp_bin
11957	ENDDO
11958	ENDDO
11959	ENDDO
11960	IF ( .NOT. mask_surface(mid) ) THEN
11961	DO i = 1, mask_size_l(mid,1)
11962	DO j = 1, mask_size_l(mid,2)
11963	DO k = 1, mask_size_l(mid,3)
11964	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11965	ENDDO
11966	ENDDO
11967	ENDDO
11968	ELSE
11969	DO i = 1, mask_size_l(mid,1)
11970	DO j = 1, mask_size_l(mid,2)
11971	!
11972	!-- Get k index of the highest terraing surface
11973	im = mask_i(mid,i)
11974	jm = mask_j(mid,j)
11975	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11976	DO k = 1, mask_size_l(mid,3)
11977	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11978	!
11979	!-- Set value if not in building
11980	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11981	local_pf(i,j,k) = fill_value
11982	ELSE
11983	local_pf(i,j,k) = tend(kk,jm,im)
11984	ENDIF
11985	ENDDO
11986	ENDDO
11987	ENDDO
11988	ENDIF
11989	resorted = .TRUE.
11990	ELSE
11991	to_be_resorted => s_h2o_av
11992	ENDIF
11993
11994	CASE DEFAULT
11995	found = .FALSE.
11996
11997	END SELECT
11998	ENDIF
11999
12000	IF ( found .AND. .NOT. resorted ) THEN
12001	IF ( .NOT. mask_surface(mid) ) THEN
12002	!
12003	!-- Default masked output
12004	DO i = 1, mask_size_l(mid,1)
12005	DO j = 1, mask_size_l(mid,2)
12006	DO k = 1, mask_size_l(mid,3)
12007	local_pf(i,j,k) = to_be_resorted( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
12008	ENDDO
12009	ENDDO
12010	ENDDO
12011	ELSE
12012	!
12013	!-- Terrain-following masked output
12014	DO i = 1, mask_size_l(mid,1)
12015	DO j = 1, mask_size_l(mid,2)
12016	!-- Get k index of the highest terraing surface
12017	im = mask_i(mid,i)
12018	jm = mask_j(mid,j)
12019	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
12020	DO k = 1, mask_size_l(mid,3)
12021	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
12022	!-- Set value if not in building
12023	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
12024	local_pf(i,j,k) = fill_value
12025	ELSE
12026	local_pf(i,j,k) = to_be_resorted(kk,jm,im)
12027	ENDIF
12028	ENDDO
12029	ENDDO
12030	ENDDO
12031	ENDIF
12032	ENDIF
12033
12034	END SUBROUTINE salsa_data_output_mask
12035
12036	!------------------------------------------------------------------------------!
12037	! Description:
12038	! ------------
12039	!> Creates index tables for different (aerosol) components
12040	!------------------------------------------------------------------------------!
12041	SUBROUTINE component_index_constructor( self, ncomp, nlist, listcomp )
12042
12043	IMPLICIT NONE
12044
12045	INTEGER(iwp) :: ii !<
12046	INTEGER(iwp) :: jj !<
12047
12048	INTEGER(iwp), INTENT(in) :: nlist ! < Maximum number of components
12049
12050	INTEGER(iwp), INTENT(inout) :: ncomp !< Number of components
12051
12052	CHARACTER(LEN=3), INTENT(in) :: listcomp(nlist) !< List cof component names
12053
12054	TYPE(component_index), INTENT(inout) :: self !< Object containing the indices of different
12055	!< aerosol components
12056
12057	ncomp = 0
12058
12059	DO WHILE ( listcomp(ncomp+1) /= ' ' .AND. ncomp < nlist )
12060	ncomp = ncomp + 1
12061	ENDDO
12062
12063	self%ncomp = ncomp
12064	ALLOCATE( self%ind(ncomp), self%comp(ncomp) )
12065
12066	DO ii = 1, ncomp
12067	self%ind(ii) = ii
12068	ENDDO
12069
12070	jj = 1
12071	DO ii = 1, nlist
12072	IF ( listcomp(ii) == '') CYCLE
12073	self%comp(jj) = listcomp(ii)
12074	jj = jj + 1
12075	ENDDO
12076
12077	END SUBROUTINE component_index_constructor
12078
12079	!------------------------------------------------------------------------------!
12080	! Description:
12081	! ------------
12082	!> Gives the index of a component in the component list
12083	!------------------------------------------------------------------------------!
12084	INTEGER FUNCTION get_index( self, incomp )
12085
12086	IMPLICIT NONE
12087
12088	CHARACTER(LEN=*), INTENT(in) :: incomp !< Component name
12089
12090	INTEGER(iwp) :: ii !< index
12091
12092	TYPE(component_index), INTENT(in) :: self !< Object containing the indices of different
12093	!< aerosol components
12094	IF ( ANY( self%comp == incomp ) ) THEN
12095	ii = 1
12096	DO WHILE ( (self%comp(ii) /= incomp) )
12097	ii = ii + 1
12098	ENDDO
12099	get_index = ii
12100	ELSEIF ( incomp == 'H2O' ) THEN
12101	get_index = self%ncomp + 1
12102	ELSE
12103	WRITE( message_string, * ) 'Incorrect component name given!'
12104	CALL message( 'get_index', 'PA0591', 1, 2, 0, 6, 0 )
12105	ENDIF
12106
12107	END FUNCTION get_index
12108
12109	!------------------------------------------------------------------------------!
12110	! Description:
12111	! ------------
12112	!> Tells if the (aerosol) component is being used in the simulation
12113	!------------------------------------------------------------------------------!
12114	LOGICAL FUNCTION is_used( self, icomp )
12115
12116	IMPLICIT NONE
12117
12118	CHARACTER(LEN=*), INTENT(in) :: icomp !< Component name
12119
12120	TYPE(component_index), INTENT(in) :: self !< Object containing the indices of different
12121	!< aerosol components
12122
12123	IF ( ANY(self%comp == icomp) ) THEN
12124	is_used = .TRUE.
12125	ELSE
12126	is_used = .FALSE.
12127	ENDIF
12128
12129	END FUNCTION
12130
12131	!------------------------------------------------------------------------------!
12132	! Description:
12133	! ------------
12134	!> Set the lateral and top boundary conditions in case the PALM domain is
12135	!> nested offline in a mesoscale model. Further, average boundary data and
12136	!> determine mean profiles, further used for correct damping in the sponge
12137	!> layer.
12138	!------------------------------------------------------------------------------!
12139	SUBROUTINE salsa_nesting_offl_bc
12140
12141	USE control_parameters, &
12142	ONLY: bc_dirichlet_l, bc_dirichlet_n, bc_dirichlet_r, bc_dirichlet_s, dt_3d, &
12143	time_since_reference_point
12144
12145	USE indices, &
12146	ONLY: nbgp, nxl, nxr, nyn, nys, nzb, nzt
12147
12148	IMPLICIT NONE
12149
12150	INTEGER(iwp) :: i !< running index x-direction
12151	INTEGER(iwp) :: ib !< running index for aerosol number bins
12152	INTEGER(iwp) :: ic !< running index for aerosol mass bins
12153	INTEGER(iwp) :: icc !< running index for aerosol mass bins
12154	INTEGER(iwp) :: ig !< running index for gaseous species
12155	INTEGER(iwp) :: j !< running index y-direction
12156	INTEGER(iwp) :: k !< running index z-direction
12157
12158	REAL(wp) :: fac_dt !< interpolation factor
12159
12160	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_mconc !< reference profile for aerosol mass
12161	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_mconc_l !< reference profile for aerosol mass: subdomain
12162	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_nconc !< reference profile for aerosol number
12163	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_nconc_l !< reference profile for aerosol_number: subdomain
12164	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_gconc !< reference profile for gases
12165	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: ref_gconc_l !< reference profile for gases: subdomain
12166
12167	!
12168	!-- Skip input if no forcing from larger-scale models is applied.
12169	IF ( .NOT. nesting_offline_salsa ) RETURN
12170	!
12171	!-- Allocate temporary arrays to compute salsa mean profiles
12172	ALLOCATE( ref_gconc(nzb:nzt+1,1:ngases_salsa), ref_gconc_l(nzb:nzt+1,1:ngases_salsa), &
12173	ref_mconc(nzb:nzt+1,1:nbins_aerosol*ncomponents_mass), &
12174	ref_mconc_l(nzb:nzt+1,1:nbins_aerosol*ncomponents_mass), &
12175	ref_nconc(nzb:nzt+1,1:nbins_aerosol), ref_nconc_l(nzb:nzt+1,1:nbins_aerosol) )
12176	ref_gconc = 0.0_wp
12177	ref_gconc_l = 0.0_wp
12178	ref_mconc = 0.0_wp
12179	ref_mconc_l = 0.0_wp
12180	ref_nconc = 0.0_wp
12181	ref_nconc_l = 0.0_wp
12182
12183	!
12184	!-- Determine interpolation factor and limit it to 1. This is because t+dt can slightly exceed
12185	!-- time(tind_p) before boundary data is updated again.
12186	fac_dt = ( time_since_reference_point - salsa_nest_offl%time(salsa_nest_offl%tind) + dt_3d ) &
12187	/ ( salsa_nest_offl%time(salsa_nest_offl%tind_p) - &
12188	salsa_nest_offl%time(salsa_nest_offl%tind) )
12189	fac_dt = MIN( 1.0_wp, fac_dt )
12190
12191	IF ( bc_dirichlet_l ) THEN
12192	DO ib = 1, nbins_aerosol
12193	DO j = nys, nyn
12194	DO k = nzb+1, nzt
12195	aerosol_number(ib)%conc(k,j,-1) = ( 1.0_wp - fac_dt ) * &
12196	salsa_nest_offl%nconc_left(0,k,j,ib) + fac_dt * &
12197	salsa_nest_offl%nconc_left(1,k,j,ib)
12198	ENDDO
12199	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12200	aerosol_number(ib)%conc(nzb+1:nzt,j,-1)
12201	ENDDO
12202	DO ic = 1, ncomponents_mass
12203	icc = ( ic-1 ) * nbins_aerosol + ib
12204	DO j = nys, nyn
12205	DO k = nzb+1, nzt
12206	aerosol_mass(icc)%conc(k,j,-1) = ( 1.0_wp - fac_dt ) * &
12207	salsa_nest_offl%mconc_left(0,k,j,icc) + fac_dt &
12208	* salsa_nest_offl%mconc_left(1,k,j,icc)
12209	ENDDO
12210	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12211	aerosol_mass(icc)%conc(nzb+1:nzt,j,-1)
12212	ENDDO
12213	ENDDO
12214	ENDDO
12215	IF ( .NOT. salsa_gases_from_chem ) THEN
12216	DO ig = 1, ngases_salsa
12217	DO j = nys, nyn
12218	DO k = nzb+1, nzt
12219	salsa_gas(ig)%conc(k,j,-1) = ( 1.0_wp - fac_dt ) * &
12220	salsa_nest_offl%gconc_left(0,k,j,ig) + fac_dt * &
12221	salsa_nest_offl%gconc_left(1,k,j,ig)
12222	ENDDO
12223	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12224	salsa_gas(ig)%conc(nzb+1:nzt,j,-1)
12225	ENDDO
12226	ENDDO
12227	ENDIF
12228	ENDIF
12229
12230	IF ( bc_dirichlet_r ) THEN
12231	DO ib = 1, nbins_aerosol
12232	DO j = nys, nyn
12233	DO k = nzb+1, nzt
12234	aerosol_number(ib)%conc(k,j,nxr+1) = ( 1.0_wp - fac_dt ) * &
12235	salsa_nest_offl%nconc_right(0,k,j,ib) + fac_dt * &
12236	salsa_nest_offl%nconc_right(1,k,j,ib)
12237	ENDDO
12238	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12239	aerosol_number(ib)%conc(nzb+1:nzt,j,nxr+1)
12240	ENDDO
12241	DO ic = 1, ncomponents_mass
12242	icc = ( ic-1 ) * nbins_aerosol + ib
12243	DO j = nys, nyn
12244	DO k = nzb+1, nzt
12245	aerosol_mass(icc)%conc(k,j,nxr+1) = ( 1.0_wp - fac_dt ) * &
12246	salsa_nest_offl%mconc_right(0,k,j,icc) + fac_dt&
12247	* salsa_nest_offl%mconc_right(1,k,j,icc)
12248	ENDDO
12249	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12250	aerosol_mass(icc)%conc(nzb+1:nzt,j,nxr+1)
12251	ENDDO
12252	ENDDO
12253	ENDDO
12254	IF ( .NOT. salsa_gases_from_chem ) THEN
12255	DO ig = 1, ngases_salsa
12256	DO j = nys, nyn
12257	DO k = nzb+1, nzt
12258	salsa_gas(ig)%conc(k,j,nxr+1) = ( 1.0_wp - fac_dt ) * &
12259	salsa_nest_offl%gconc_right(0,k,j,ig) + fac_dt *&
12260	salsa_nest_offl%gconc_right(1,k,j,ig)
12261	ENDDO
12262	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12263	salsa_gas(ig)%conc(nzb+1:nzt,j,nxr+1)
12264	ENDDO
12265	ENDDO
12266	ENDIF
12267	ENDIF
12268
12269	IF ( bc_dirichlet_n ) THEN
12270	DO ib = 1, nbins_aerosol
12271	DO i = nxl, nxr
12272	DO k = nzb+1, nzt
12273	aerosol_number(ib)%conc(k,nyn+1,i) = ( 1.0_wp - fac_dt ) * &
12274	salsa_nest_offl%nconc_north(0,k,i,ib) + fac_dt * &
12275	salsa_nest_offl%nconc_north(1,k,i,ib)
12276	ENDDO
12277	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12278	aerosol_number(ib)%conc(nzb+1:nzt,nyn+1,i)
12279	ENDDO
12280	DO ic = 1, ncomponents_mass
12281	icc = ( ic-1 ) * nbins_aerosol + ib
12282	DO i = nxl, nxr
12283	DO k = nzb+1, nzt
12284	aerosol_mass(icc)%conc(k,nyn+1,i) = ( 1.0_wp - fac_dt ) * &
12285	salsa_nest_offl%mconc_north(0,k,i,icc) + fac_dt&
12286	* salsa_nest_offl%mconc_north(1,k,i,icc)
12287	ENDDO
12288	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12289	aerosol_mass(icc)%conc(nzb+1:nzt,nyn+1,i)
12290	ENDDO
12291	ENDDO
12292	ENDDO
12293	IF ( .NOT. salsa_gases_from_chem ) THEN
12294	DO ig = 1, ngases_salsa
12295	DO i = nxl, nxr
12296	DO k = nzb+1, nzt
12297	salsa_gas(ig)%conc(k,nyn+1,i) = ( 1.0_wp - fac_dt ) * &
12298	salsa_nest_offl%gconc_north(0,k,i,ig) + fac_dt *&
12299	salsa_nest_offl%gconc_north(1,k,i,ig)
12300	ENDDO
12301	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12302	salsa_gas(ig)%conc(nzb+1:nzt,nyn+1,i)
12303	ENDDO
12304	ENDDO
12305	ENDIF
12306	ENDIF
12307
12308	IF ( bc_dirichlet_s ) THEN
12309	DO ib = 1, nbins_aerosol
12310	DO i = nxl, nxr
12311	DO k = nzb+1, nzt
12312	aerosol_number(ib)%conc(k,-1,i) = ( 1.0_wp - fac_dt ) * &
12313	salsa_nest_offl%nconc_south(0,k,i,ib) + fac_dt * &
12314	salsa_nest_offl%nconc_south(1,k,i,ib)
12315	ENDDO
12316	ref_nconc_l(nzb+1:nzt,ib) = ref_nconc_l(nzb+1:nzt,ib) + &
12317	aerosol_number(ib)%conc(nzb+1:nzt,-1,i)
12318	ENDDO
12319	DO ic = 1, ncomponents_mass
12320	icc = ( ic-1 ) * nbins_aerosol + ib
12321	DO i = nxl, nxr
12322	DO k = nzb+1, nzt
12323	aerosol_mass(icc)%conc(k,-1,i) = ( 1.0_wp - fac_dt ) * &
12324	salsa_nest_offl%mconc_south(0,k,i,icc) + fac_dt&
12325	* salsa_nest_offl%mconc_south(1,k,i,icc)
12326	ENDDO
12327	ref_mconc_l(nzb+1:nzt,icc) = ref_mconc_l(nzb+1:nzt,icc) + &
12328	aerosol_mass(icc)%conc(nzb+1:nzt,-1,i)
12329	ENDDO
12330	ENDDO
12331	ENDDO
12332	IF ( .NOT. salsa_gases_from_chem ) THEN
12333	DO ig = 1, ngases_salsa
12334	DO i = nxl, nxr
12335	DO k = nzb+1, nzt
12336	salsa_gas(ig)%conc(k,-1,i) = ( 1.0_wp - fac_dt ) * &
12337	salsa_nest_offl%gconc_south(0,k,i,ig) + fac_dt * &
12338	salsa_nest_offl%gconc_south(1,k,i,ig)
12339	ENDDO
12340	ref_gconc_l(nzb+1:nzt,ig) = ref_gconc_l(nzb+1:nzt,ig) + &
12341	salsa_gas(ig)%conc(nzb+1:nzt,-1,i)
12342	ENDDO
12343	ENDDO
12344	ENDIF
12345	ENDIF
12346	!
12347	!-- Top boundary
12348	DO ib = 1, nbins_aerosol
12349	DO i = nxl, nxr
12350	DO j = nys, nyn
12351	aerosol_number(ib)%conc(nzt+1,j,i) = ( 1.0_wp - fac_dt ) * &
12352	salsa_nest_offl%nconc_top(0,j,i,ib) + fac_dt * &
12353	salsa_nest_offl%nconc_top(1,j,i,ib)
12354	ref_nconc_l(nzt+1,ib) = ref_nconc_l(nzt+1,ib) + aerosol_number(ib)%conc(nzt+1,j,i)
12355	ENDDO
12356	ENDDO
12357	DO ic = 1, ncomponents_mass
12358	icc = ( ic-1 ) * nbins_aerosol + ib
12359	DO i = nxl, nxr
12360	DO j = nys, nyn
12361	aerosol_mass(icc)%conc(nzt+1,j,i) = ( 1.0_wp - fac_dt ) * &
12362	salsa_nest_offl%mconc_top(0,j,i,icc) + fac_dt *&
12363	salsa_nest_offl%mconc_top(1,j,i,icc)
12364	ref_mconc_l(nzt+1,icc) = ref_mconc_l(nzt+1,icc) + aerosol_mass(icc)%conc(nzt+1,j,i)
12365	ENDDO
12366	ENDDO
12367	ENDDO
12368	ENDDO
12369	IF ( .NOT. salsa_gases_from_chem ) THEN
12370	DO ig = 1, ngases_salsa
12371	DO i = nxl, nxr
12372	DO j = nys, nyn
12373	salsa_gas(ig)%conc(nzt+1,j,i) = ( 1.0_wp - fac_dt ) * &
12374	salsa_nest_offl%gconc_top(0,j,i,ig) + fac_dt * &
12375	salsa_nest_offl%gconc_top(1,j,i,ig)
12376	ref_gconc_l(nzt+1,ig) = ref_gconc_l(nzt+1,ig) + salsa_gas(ig)%conc(nzt+1,j,i)
12377	ENDDO
12378	ENDDO
12379	ENDDO
12380	ENDIF
12381	!
12382	!-- Do local exchange
12383	DO ib = 1, nbins_aerosol
12384	CALL exchange_horiz( aerosol_number(ib)%conc, nbgp )
12385	DO ic = 1, ncomponents_mass
12386	icc = ( ic-1 ) * nbins_aerosol + ib
12387	CALL exchange_horiz( aerosol_mass(icc)%conc, nbgp )
12388	ENDDO
12389	ENDDO
12390	IF ( .NOT. salsa_gases_from_chem ) THEN
12391	DO ig = 1, ngases_salsa
12392	CALL exchange_horiz( salsa_gas(ig)%conc, nbgp )
12393	ENDDO
12394	ENDIF
12395	!
12396	!-- In case of Rayleigh damping, where the initial profiles are still used, update these profiles
12397	!-- from the averaged boundary data. But first, average these data.
12398	#if defined( __parallel )
12399	IF ( .NOT. salsa_gases_from_chem ) &
12400	CALL MPI_ALLREDUCE( ref_gconc_l, ref_gconc, ( nzt+1-nzb+1 ) * SIZE( ref_gconc(nzb,:) ), &
12401	MPI_REAL, MPI_SUM, comm2d, ierr )
12402	CALL MPI_ALLREDUCE( ref_mconc_l, ref_mconc, ( nzt+1-nzb+1 ) * SIZE( ref_mconc(nzb,:) ), &
12403	MPI_REAL, MPI_SUM, comm2d, ierr )
12404	CALL MPI_ALLREDUCE( ref_nconc_l, ref_nconc, ( nzt+1-nzb+1 ) * SIZE( ref_nconc(nzb,:) ), &
12405	MPI_REAL, MPI_SUM, comm2d, ierr )
12406	#else
12407	IF ( .NOT. salsa_gases_from_chem ) ref_gconc = ref_gconc_l
12408	ref_mconc = ref_mconc_l
12409	ref_nconc = ref_nconc_l
12410	#endif
12411	!
12412	!-- Average data. Note, reference profiles up to nzt are derived from lateral boundaries, at the
12413	!-- model top it is derived from the top boundary. Thus, number of input data is different from
12414	!-- nzb:nzt compared to nzt+1.
12415	!-- Derived from lateral boundaries.
12416	IF ( .NOT. salsa_gases_from_chem ) &
12417	ref_gconc(nzb:nzt,:) = ref_gconc(nzb:nzt,:) / REAL( 2.0_wp * ( ny + 1 + nx + 1 ), KIND = wp )
12418	ref_mconc(nzb:nzt,:) = ref_mconc(nzb:nzt,:) / REAL( 2.0_wp * ( ny + 1 + nx + 1 ), KIND = wp )
12419	ref_nconc(nzb:nzt,:) = ref_nconc(nzb:nzt,:) / REAL( 2.0_wp * ( ny + 1 + nx + 1 ), KIND = wp )
12420	!
12421	!-- Derived from top boundary
12422	IF ( .NOT. salsa_gases_from_chem ) &
12423	ref_gconc(nzt+1,:) = ref_gconc(nzt+1,:) / REAL( ( ny + 1 ) * ( nx + 1 ), KIND = wp )
12424	ref_mconc(nzt+1,:) = ref_mconc(nzt+1,:) / REAL( ( ny + 1 ) * ( nx + 1 ), KIND = wp )
12425	ref_nconc(nzt+1,:) = ref_nconc(nzt+1,:) / REAL( ( ny + 1 ) * ( nx + 1 ), KIND = wp )
12426	!
12427	!-- Write onto init profiles, which are used for damping. Also set lower boundary condition.
12428	DO ib = 1, nbins_aerosol
12429	aerosol_number(ib)%init(:) = ref_nconc(:,ib)
12430	aerosol_number(ib)%init(nzb) = aerosol_number(ib)%init(nzb+1)
12431	DO ic = 1, ncomponents_mass
12432	icc = ( ic-1 ) * nbins_aerosol + ib
12433	aerosol_mass(icc)%init(:) = ref_mconc(:,icc)
12434	aerosol_mass(icc)%init(nzb) = aerosol_mass(icc)%init(nzb+1)
12435	ENDDO
12436	ENDDO
12437	IF ( .NOT. salsa_gases_from_chem ) THEN
12438	DO ig = 1, ngases_salsa
12439	salsa_gas(ig)%init(:) = ref_gconc(:,ig)
12440	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
12441	ENDDO
12442	ENDIF
12443
12444	DEALLOCATE( ref_gconc, ref_gconc_l, ref_mconc, ref_mconc_l, ref_nconc, ref_nconc_l )
12445
12446	END SUBROUTINE salsa_nesting_offl_bc
12447
12448	!------------------------------------------------------------------------------!
12449	! Description:
12450	! ------------
12451	!> Allocate arrays used to read boundary data from NetCDF file and initialize
12452	!> boundary data.
12453	!------------------------------------------------------------------------------!
12454	SUBROUTINE salsa_nesting_offl_init
12455
12456	USE control_parameters, &
12457	ONLY: end_time, initializing_actions, spinup_time
12458
12459	USE palm_date_time_mod, &
12460	ONLY: get_date_time
12461
12462	IMPLICIT NONE
12463
12464	INTEGER(iwp) :: ib !< running index for aerosol number bins
12465	INTEGER(iwp) :: ic !< running index for aerosol mass bins
12466	INTEGER(iwp) :: icc !< additional running index for aerosol mass bins
12467	INTEGER(iwp) :: ig !< running index for gaseous species
12468	INTEGER(iwp) :: nmass_bins !< number of aerosol mass bins
12469
12470	nmass_bins = nbins_aerosol * ncomponents_mass
12471	!
12472	!-- Get time_utc_init from origin_date_time
12473	CALL get_date_time( 0.0_wp, second_of_day = time_utc_init )
12474	!
12475	!-- Allocate arrays for reading boundary values. Arrays will incorporate 2 time levels in order to
12476	!-- interpolate in between.
12477	IF ( nesting_offline_salsa ) THEN
12478	IF ( bc_dirichlet_l ) THEN
12479	ALLOCATE( salsa_nest_offl%nconc_left(0:1,nzb+1:nzt,nys:nyn,1:nbins_aerosol) )
12480	ALLOCATE( salsa_nest_offl%mconc_left(0:1,nzb+1:nzt,nys:nyn,1:nmass_bins) )
12481	ENDIF
12482	IF ( bc_dirichlet_r ) THEN
12483	ALLOCATE( salsa_nest_offl%nconc_right(0:1,nzb+1:nzt,nys:nyn,1:nbins_aerosol) )
12484	ALLOCATE( salsa_nest_offl%mconc_right(0:1,nzb+1:nzt,nys:nyn,1:nmass_bins) )
12485	ENDIF
12486	IF ( bc_dirichlet_n ) THEN
12487	ALLOCATE( salsa_nest_offl%nconc_north(0:1,nzb+1:nzt,nxl:nxr,1:nbins_aerosol) )
12488	ALLOCATE( salsa_nest_offl%mconc_north(0:1,nzb+1:nzt,nxl:nxr,1:nmass_bins) )
12489	ENDIF
12490	IF ( bc_dirichlet_s ) THEN
12491	ALLOCATE( salsa_nest_offl%nconc_south(0:1,nzb+1:nzt,nxl:nxr,1:nbins_aerosol) )
12492	ALLOCATE( salsa_nest_offl%mconc_south(0:1,nzb+1:nzt,nxl:nxr,1:nmass_bins) )
12493	ENDIF
12494	ALLOCATE( salsa_nest_offl%nconc_top(0:1,nys:nyn,nxl:nxr,1:nbins_aerosol) )
12495	ALLOCATE( salsa_nest_offl%mconc_top(0:1,nys:nyn,nxl:nxr,1:nmass_bins) )
12496
12497	IF ( .NOT. salsa_gases_from_chem ) THEN
12498	IF ( bc_dirichlet_l ) THEN
12499	ALLOCATE( salsa_nest_offl%gconc_left(0:1,nzb+1:nzt,nys:nyn,1:ngases_salsa) )
12500	ENDIF
12501	IF ( bc_dirichlet_r ) THEN
12502	ALLOCATE( salsa_nest_offl%gconc_right(0:1,nzb+1:nzt,nys:nyn,1:ngases_salsa) )
12503	ENDIF
12504	IF ( bc_dirichlet_n ) THEN
12505	ALLOCATE( salsa_nest_offl%gconc_north(0:1,nzb+1:nzt,nxl:nxr,1:ngases_salsa) )
12506	ENDIF
12507	IF ( bc_dirichlet_s ) THEN
12508	ALLOCATE( salsa_nest_offl%gconc_south(0:1,nzb+1:nzt,nxl:nxr,1:ngases_salsa) )
12509	ENDIF
12510	ALLOCATE( salsa_nest_offl%gconc_top(0:1,nys:nyn,nxl:nxr,1:ngases_salsa) )
12511	ENDIF
12512
12513	!
12514	!-- Read data at lateral and top boundaries from a larger-scale model
12515	CALL salsa_nesting_offl_input
12516	!
12517	!-- Check if sufficient time steps are provided to cover the entire simulation. Note, dynamic
12518	!-- input is only required for the 3D simulation, not for the soil/wall spinup. However, as the
12519	!-- spinup time is added to the end_time, this must be considered here.
12520	IF ( end_time - spinup_time > &
12521	salsa_nest_offl%time(salsa_nest_offl%nt-1) - time_utc_init ) THEN
12522	message_string = 'end_time of the simulation exceeds the time dimension in the dynamic'//&
12523	' input file.'
12524	CALL message( 'salsa_nesting_offl_init', 'PA0681', 1, 2, 0, 6, 0 )
12525	ENDIF
12526
12527	IF ( salsa_nest_offl%time(0) /= time_utc_init ) THEN
12528	message_string = 'Offline nesting: time dimension must start at time_utc_init.'
12529	CALL message( 'salsa_nesting_offl_init', 'PA0682', 1, 2, 0, 6, 0 )
12530	ENDIF
12531	!
12532	!-- Initialize boundary data. Please note, do not initialize boundaries in case of restart runs.
12533	IF ( TRIM( initializing_actions ) /= 'read_restart_data' .AND. read_restart_data_salsa ) &
12534	THEN
12535	IF ( bc_dirichlet_l ) THEN
12536	DO ib = 1, nbins_aerosol
12537	aerosol_number(ib)%conc(nzb+1:nzt,nys:nyn,-1) = &
12538	salsa_nest_offl%nconc_left(0,nzb+1:nzt,nys:nyn,ib)
12539	DO ic = 1, ncomponents_mass
12540	icc = ( ic - 1 ) * nbins_aerosol + ib
12541	aerosol_mass(icc)%conc(nzb+1:nzt,nys:nyn,-1) = &
12542	salsa_nest_offl%mconc_left(0,nzb+1:nzt,nys:nyn,icc)
12543	ENDDO
12544	ENDDO
12545	DO ig = 1, ngases_salsa
12546	salsa_gas(ig)%conc(nzb+1:nzt,nys:nyn,-1) = &
12547	salsa_nest_offl%gconc_left(0,nzb+1:nzt,nys:nyn,ig)
12548	ENDDO
12549	ENDIF
12550	IF ( bc_dirichlet_r ) THEN
12551	DO ib = 1, nbins_aerosol
12552	aerosol_number(ib)%conc(nzb+1:nzt,nys:nyn,nxr+1) = &
12553	salsa_nest_offl%nconc_right(0,nzb+1:nzt,nys:nyn,ib)
12554	DO ic = 1, ncomponents_mass
12555	icc = ( ic - 1 ) * nbins_aerosol + ib
12556	aerosol_mass(icc)%conc(nzb+1:nzt,nys:nyn,nxr+1) = &
12557	salsa_nest_offl%mconc_right(0,nzb+1:nzt,nys:nyn,icc)
12558	ENDDO
12559	ENDDO
12560	DO ig = 1, ngases_salsa
12561	salsa_gas(ig)%conc(nzb+1:nzt,nys:nyn,nxr+1) = &
12562	salsa_nest_offl%gconc_right(0,nzb+1:nzt,nys:nyn,ig)
12563	ENDDO
12564	ENDIF
12565	IF ( bc_dirichlet_n ) THEN
12566	DO ib = 1, nbins_aerosol
12567	aerosol_number(ib)%conc(nzb+1:nzt,nyn+1,nxl:nxr) = &
12568	salsa_nest_offl%nconc_north(0,nzb+1:nzt,nxl:nxr,ib)
12569	DO ic = 1, ncomponents_mass
12570	icc = ( ic - 1 ) * nbins_aerosol + ib
12571	aerosol_mass(icc)%conc(nzb+1:nzt,nyn+1,nxl:nxr) = &
12572	salsa_nest_offl%mconc_north(0,nzb+1:nzt,nxl:nxr,icc)
12573	ENDDO
12574	ENDDO
12575	DO ig = 1, ngases_salsa
12576	salsa_gas(ig)%conc(nzb+1:nzt,nyn+1,nxl:nxr) = &
12577	salsa_nest_offl%gconc_north(0,nzb+1:nzt,nxl:nxr,ig)
12578	ENDDO
12579	ENDIF
12580	IF ( bc_dirichlet_s ) THEN
12581	DO ib = 1, nbins_aerosol
12582	aerosol_number(ib)%conc(nzb+1:nzt,-1,nxl:nxr) = &
12583	salsa_nest_offl%nconc_south(0,nzb+1:nzt,nxl:nxr,ib)
12584	DO ic = 1, ncomponents_mass
12585	icc = ( ic - 1 ) * nbins_aerosol + ib
12586	aerosol_mass(icc)%conc(nzb+1:nzt,-1,nxl:nxr) = &
12587	salsa_nest_offl%mconc_south(0,nzb+1:nzt,nxl:nxr,icc)
12588	ENDDO
12589	ENDDO
12590	DO ig = 1, ngases_salsa
12591	salsa_gas(ig)%conc(nzb+1:nzt,-1,nxl:nxr) = &
12592	salsa_nest_offl%gconc_south(0,nzb+1:nzt,nxl:nxr,ig)
12593	ENDDO
12594	ENDIF
12595	ENDIF
12596	ENDIF
12597
12598	END SUBROUTINE salsa_nesting_offl_init
12599
12600	!------------------------------------------------------------------------------!
12601	! Description:
12602	! ------------
12603	!> Set the lateral and top boundary conditions in case the PALM domain is
12604	!> nested offline in a mesoscale model. Further, average boundary data and
12605	!> determine mean profiles, further used for correct damping in the sponge
12606	!> layer.
12607	!------------------------------------------------------------------------------!
12608	SUBROUTINE salsa_nesting_offl_input
12609
12610	USE netcdf_data_input_mod, &
12611	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
12612	inquire_num_variables, inquire_variable_names, &
12613	get_dimension_length, open_read_file
12614
12615	IMPLICIT NONE
12616
12617	CHARACTER(LEN=25) :: vname !< variable name
12618
12619	INTEGER(iwp) :: ic !< running index for aerosol chemical components
12620	INTEGER(iwp) :: ig !< running index for gases
12621	INTEGER(iwp) :: num_vars !< number of variables in netcdf input file
12622
12623	!
12624	!-- Skip input if no forcing from larger-scale models is applied.
12625	IF ( .NOT. nesting_offline_salsa ) RETURN
12626	!
12627	!-- Initialise
12628	IF ( .NOT. salsa_nest_offl%init ) THEN
12629
12630	#if defined ( __netcdf )
12631	!
12632	!-- Open file in read-only mode
12633	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), &
12634	salsa_nest_offl%id_dynamic )
12635	!
12636	!-- At first, inquire all variable names.
12637	CALL inquire_num_variables( salsa_nest_offl%id_dynamic, num_vars )
12638	!
12639	!-- Allocate memory to store variable names.
12640	ALLOCATE( salsa_nest_offl%var_names(1:num_vars) )
12641	CALL inquire_variable_names( salsa_nest_offl%id_dynamic, salsa_nest_offl%var_names )
12642	!
12643	!-- Read time dimension, allocate memory and finally read time array
12644	CALL get_dimension_length( salsa_nest_offl%id_dynamic, salsa_nest_offl%nt,&
12645	'time' )
12646
12647	IF ( check_existence( salsa_nest_offl%var_names, 'time' ) ) THEN
12648	ALLOCATE( salsa_nest_offl%time(0:salsa_nest_offl%nt-1) )
12649	CALL get_variable( salsa_nest_offl%id_dynamic, 'time', salsa_nest_offl%time )
12650	ENDIF
12651	!
12652	!-- Read the vertical dimension
12653	CALL get_dimension_length( salsa_nest_offl%id_dynamic, &
12654	salsa_nest_offl%nzu, 'z' )
12655	ALLOCATE( salsa_nest_offl%zu_atmos(1:salsa_nest_offl%nzu) )
12656	CALL get_variable( salsa_nest_offl%id_dynamic, 'z', salsa_nest_offl%zu_atmos )
12657	!
12658	!-- Read the number of aerosol chemical components
12659	CALL get_dimension_length( salsa_nest_offl%id_dynamic, &
12660	salsa_nest_offl%ncc, 'composition_index' )
12661	!
12662	!-- Read the names of aerosol chemical components
12663	CALL get_variable( salsa_nest_offl%id_dynamic, 'composition_name', salsa_nest_offl%cc_name, &
12664	salsa_nest_offl%ncc )
12665	!
12666	!-- Define the index of each chemical component in the model
12667	DO ic = 1, salsa_nest_offl%ncc
12668	SELECT CASE ( TRIM( salsa_nest_offl%cc_name(ic) ) )
12669	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
12670	salsa_nest_offl%cc_in2mod(1) = ic
12671	CASE ( 'OC', 'oc' )
12672	salsa_nest_offl%cc_in2mod(2) = ic
12673	CASE ( 'BC', 'bc' )
12674	salsa_nest_offl%cc_in2mod(3) = ic
12675	CASE ( 'DU', 'du' )
12676	salsa_nest_offl%cc_in2mod(4) = ic
12677	CASE ( 'SS', 'ss' )
12678	salsa_nest_offl%cc_in2mod(5) = ic
12679	CASE ( 'HNO3', 'hno3', 'NO3', 'no3', 'NO', 'no' )
12680	salsa_nest_offl%cc_in2mod(6) = ic
12681	CASE ( 'NH3', 'nh3', 'NH4', 'nh4', 'NH', 'nh' )
12682	salsa_nest_offl%cc_in2mod(7) = ic
12683	END SELECT
12684	ENDDO
12685	IF ( SUM( salsa_nest_offl%cc_in2mod ) == 0 ) THEN
12686	message_string = 'None of the aerosol chemical components in ' // &
12687	TRIM( input_file_dynamic ) // ' correspond to ones applied in SALSA.'
12688	CALL message( 'salsa_mod: salsa_nesting_offl_input', &
12689	'PA0662', 2, 2, 0, 6, 0 )
12690	ENDIF
12691	#endif
12692	ENDIF
12693	!
12694	!-- Check if dynamic driver data input is required.
12695	IF ( salsa_nest_offl%time(salsa_nest_offl%tind_p) <= MAX( time_since_reference_point, 0.0_wp) &
12696	+ time_utc_init .OR. .NOT. salsa_nest_offl%init ) THEN
12697	CONTINUE
12698	!
12699	!-- Return otherwise
12700	ELSE
12701	RETURN
12702	ENDIF
12703	!
12704	!-- Obtain time index for current point in time.
12705	salsa_nest_offl%tind = MINLOC( ABS( salsa_nest_offl%time - ( time_utc_init + &
12706	MAX( time_since_reference_point, 0.0_wp) ) ), DIM = 1 ) - 1
12707	salsa_nest_offl%tind_p = salsa_nest_offl%tind + 1
12708	!
12709	!-- Open file in read-only mode
12710	#if defined ( __netcdf )
12711
12712	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), &
12713	salsa_nest_offl%id_dynamic )
12714	!
12715	!-- Read data at the western boundary
12716	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_left_aerosol', &
12717	salsa_nest_offl%nconc_left, &
12718	MERGE( 0, 1, bc_dirichlet_l ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_l ), &
12719	MERGE( nys, 1, bc_dirichlet_l ), MERGE( nyn, 0, bc_dirichlet_l ), &
12720	MERGE( nzb, 1, bc_dirichlet_l ), MERGE( nzt-1, 0, bc_dirichlet_l ), &
12721	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_l ), &
12722	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_l ) )
12723	IF ( bc_dirichlet_l ) THEN
12724	salsa_nest_offl%nconc_left = MAX( nclim, salsa_nest_offl%nconc_left )
12725	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nys, &
12726	nyn, 'ls_forcing_left_mass_fracs_a', 1 )
12727	ENDIF
12728	IF ( .NOT. salsa_gases_from_chem ) THEN
12729	DO ig = 1, ngases_salsa
12730	vname = salsa_nest_offl%char_l // salsa_nest_offl%gas_name(ig)
12731	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12732	salsa_nest_offl%gconc_left(:,:,:,ig), &
12733	MERGE( nys, 1, bc_dirichlet_l ), MERGE( nyn, 0, bc_dirichlet_l ), &
12734	MERGE( nzb, 1, bc_dirichlet_l ), MERGE( nzt-1, 0, bc_dirichlet_l ), &
12735	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_l ), &
12736	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_l ) )
12737	IF ( bc_dirichlet_l ) salsa_nest_offl%gconc_left(:,:,:,ig) = &
12738	MAX( nclim, salsa_nest_offl%gconc_left(:,:,:,ig) )
12739	ENDDO
12740	ENDIF
12741	!
12742	!-- Read data at the eastern boundary
12743	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_right_aerosol', &
12744	salsa_nest_offl%nconc_right, &
12745	MERGE( 0, 1, bc_dirichlet_r ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_r ), &
12746	MERGE( nys, 1, bc_dirichlet_r ), MERGE( nyn, 0, bc_dirichlet_r ), &
12747	MERGE( nzb, 1, bc_dirichlet_r ), MERGE( nzt-1, 0, bc_dirichlet_r ), &
12748	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_r ), &
12749	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_r ) )
12750	IF ( bc_dirichlet_r ) THEN
12751	salsa_nest_offl%nconc_right = MAX( nclim, salsa_nest_offl%nconc_right )
12752	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nys, &
12753	nyn, 'ls_forcing_right_mass_fracs_a', 2 )
12754	ENDIF
12755	IF ( .NOT. salsa_gases_from_chem ) THEN
12756	DO ig = 1, ngases_salsa
12757	vname = salsa_nest_offl%char_r // salsa_nest_offl%gas_name(ig)
12758	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12759	salsa_nest_offl%gconc_right(:,:,:,ig), &
12760	MERGE( nys, 1, bc_dirichlet_r ), MERGE( nyn, 0, bc_dirichlet_r ), &
12761	MERGE( nzb, 1, bc_dirichlet_r ), MERGE( nzt-1, 0, bc_dirichlet_r ), &
12762	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_r ), &
12763	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_r ) )
12764	IF ( bc_dirichlet_r ) salsa_nest_offl%gconc_right(:,:,:,ig) = &
12765	MAX( nclim, salsa_nest_offl%gconc_right(:,:,:,ig) )
12766	ENDDO
12767	ENDIF
12768	!
12769	!-- Read data at the northern boundary
12770	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_north_aerosol', &
12771	salsa_nest_offl%nconc_north, &
12772	MERGE( 0, 1, bc_dirichlet_n ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_n ), &
12773	MERGE( nxl, 1, bc_dirichlet_n ), MERGE( nxr, 0, bc_dirichlet_n ), &
12774	MERGE( nzb, 1, bc_dirichlet_n ), MERGE( nzt-1, 0, bc_dirichlet_n ), &
12775	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_n ), &
12776	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_n ) )
12777	IF ( bc_dirichlet_n ) THEN
12778	salsa_nest_offl%nconc_north = MAX( nclim, salsa_nest_offl%nconc_north )
12779	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nxl, &
12780	nxr, 'ls_forcing_north_mass_fracs_a', 3 )
12781	ENDIF
12782	IF ( .NOT. salsa_gases_from_chem ) THEN
12783	DO ig = 1, ngases_salsa
12784	vname = salsa_nest_offl%char_n // salsa_nest_offl%gas_name(ig)
12785	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12786	salsa_nest_offl%gconc_north(:,:,:,ig), &
12787	MERGE( nxl, 1, bc_dirichlet_n ), MERGE( nxr, 0, bc_dirichlet_n ), &
12788	MERGE( nzb, 1, bc_dirichlet_n ), MERGE( nzt-1, 0, bc_dirichlet_n ), &
12789	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_n ), &
12790	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_n ) )
12791	IF ( bc_dirichlet_n ) salsa_nest_offl%gconc_north(:,:,:,ig) = &
12792	MAX( nclim, salsa_nest_offl%gconc_north(:,:,:,ig) )
12793	ENDDO
12794	ENDIF
12795	!
12796	!-- Read data at the southern boundary
12797	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_south_aerosol', &
12798	salsa_nest_offl%nconc_south, &
12799	MERGE( 0, 1, bc_dirichlet_s ), MERGE( nbins_aerosol-1, 0, bc_dirichlet_s ), &
12800	MERGE( nxl, 1, bc_dirichlet_s ), MERGE( nxr, 0, bc_dirichlet_s ), &
12801	MERGE( nzb, 1, bc_dirichlet_s ), MERGE( nzt-1, 0, bc_dirichlet_s ), &
12802	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_s ), &
12803	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_s ) )
12804	IF ( bc_dirichlet_s ) THEN
12805	salsa_nest_offl%nconc_south = MAX( nclim, salsa_nest_offl%nconc_south )
12806	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nzb+1, nzt, nxl, &
12807	nxr, 'ls_forcing_south_mass_fracs_a', 4 )
12808	ENDIF
12809	IF ( .NOT. salsa_gases_from_chem ) THEN
12810	DO ig = 1, ngases_salsa
12811	vname = salsa_nest_offl%char_s // salsa_nest_offl%gas_name(ig)
12812	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12813	salsa_nest_offl%gconc_south(:,:,:,ig), &
12814	MERGE( nxl, 1, bc_dirichlet_s ), MERGE( nxr, 0, bc_dirichlet_s ), &
12815	MERGE( nzb, 1, bc_dirichlet_s ), MERGE( nzt-1, 0, bc_dirichlet_s ), &
12816	MERGE( salsa_nest_offl%tind, 1, bc_dirichlet_s ), &
12817	MERGE( salsa_nest_offl%tind_p, 0, bc_dirichlet_s ) )
12818	IF ( bc_dirichlet_s ) salsa_nest_offl%gconc_south(:,:,:,ig) = &
12819	MAX( nclim, salsa_nest_offl%gconc_south(:,:,:,ig) )
12820	ENDDO
12821	ENDIF
12822	!
12823	!-- Read data at the top boundary
12824	CALL get_variable( salsa_nest_offl%id_dynamic, 'ls_forcing_top_aerosol', &
12825	salsa_nest_offl%nconc_top(0:1,nys:nyn,nxl:nxr,1:nbins_aerosol), &
12826	0, nbins_aerosol-1, nxl, nxr, nys, nyn, salsa_nest_offl%tind, &
12827	salsa_nest_offl%tind_p )
12828	salsa_nest_offl%nconc_top = MAX( nclim, salsa_nest_offl%nconc_top )
12829	CALL nesting_offl_aero_mass( salsa_nest_offl%tind, salsa_nest_offl%tind_p, nys, nyn, nxl, nxr, &
12830	'ls_forcing_top_mass_fracs_a', 5 )
12831	IF ( .NOT. salsa_gases_from_chem ) THEN
12832	DO ig = 1, ngases_salsa
12833	vname = salsa_nest_offl%char_t // salsa_nest_offl%gas_name(ig)
12834	CALL get_variable( salsa_nest_offl%id_dynamic, TRIM( vname ), &
12835	salsa_nest_offl%gconc_top(:,:,:,ig), nxl, nxr, nys, nyn, &
12836	salsa_nest_offl%tind, salsa_nest_offl%tind_p )
12837	salsa_nest_offl%gconc_top(:,:,:,ig) = MAX( nclim, salsa_nest_offl%gconc_top(:,:,:,ig) )
12838	ENDDO
12839	ENDIF
12840	!
12841	!-- Close input file
12842	CALL close_input_file( salsa_nest_offl%id_dynamic )
12843
12844	#endif
12845	!
12846	!-- Set control flag to indicate that initialization is already done
12847	salsa_nest_offl%init = .TRUE.
12848
12849	END SUBROUTINE salsa_nesting_offl_input
12850
12851	!------------------------------------------------------------------------------!
12852	! Description:
12853	! ------------
12854	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
12855	!------------------------------------------------------------------------------!
12856	SUBROUTINE nesting_offl_aero_mass( ts, te, ks, ke, is, ie, varname_a, ibound )
12857
12858	USE netcdf_data_input_mod, &
12859	ONLY: get_variable
12860
12861	IMPLICIT NONE
12862
12863	CHARACTER(LEN=25) :: varname_b !< name for bins b
12864
12865	CHARACTER(LEN=*), INTENT(in) :: varname_a !< name for bins a
12866
12867	INTEGER(iwp) :: ee !< loop index: end
12868	INTEGER(iwp) :: i !< loop index
12869	INTEGER(iwp) :: ib !< loop index
12870	INTEGER(iwp) :: ic !< loop index
12871	INTEGER(iwp) :: k !< loop index
12872	INTEGER(iwp) :: ss !< loop index: start
12873	INTEGER(iwp) :: t !< loop index
12874	INTEGER(iwp) :: type_so4_oc = -1 !<
12875
12876	INTEGER(iwp), INTENT(in) :: ibound !< index: 1=left, 2=right, 3=north, 4=south, 5=top
12877	INTEGER(iwp), INTENT(in) :: ie !< loop index
12878	INTEGER(iwp), INTENT(in) :: is !< loop index
12879	INTEGER(iwp), INTENT(in) :: ks !< loop index
12880	INTEGER(iwp), INTENT(in) :: ke !< loop index
12881	INTEGER(iwp), INTENT(in) :: ts !< loop index
12882	INTEGER(iwp), INTENT(in) :: te !< loop index
12883
12884	INTEGER(iwp), DIMENSION(maxspec) :: cc_i2m !<
12885
12886	REAL(wp) :: pmf1a !< mass fraction in 1a
12887
12888	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
12889
12890	REAL(wp), DIMENSION(0:1,ks:ke,is:ie,1:nbins_aerosol) :: to_nconc !<
12891	REAL(wp), DIMENSION(0:1,ks:ke,is:ie,1:nbins_aerosol*ncomponents_mass) :: to_mconc !<
12892
12893	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mf2a !< Mass distributions for a
12894	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: mf2b !< and b bins
12895
12896	!
12897	!-- Variable name for insoluble mass fraction
12898	varname_b = varname_a(1:LEN( TRIM( varname_a ) ) - 1 ) // 'b'
12899	!
12900	!-- Bin mean aerosol particle volume (m3)
12901	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
12902	!
12903	!-- Allocate and read mass fraction arrays
12904	ALLOCATE( mf2a(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc), &
12905	mf2b(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc) )
12906	IF ( ibound == 5 ) THEN
12907	CALL get_variable( salsa_nest_offl%id_dynamic, varname_a, &
12908	mf2a(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc), 0, salsa_nest_offl%ncc-1, &
12909	is, ie, ks, ke, ts, te )
12910	ELSE
12911	CALL get_variable( salsa_nest_offl%id_dynamic, varname_a, &
12912	mf2a(0:1,ks:ke,is:ie,1:salsa_nest_offl%ncc), 0, salsa_nest_offl%ncc-1, &
12913	is, ie, ks-1, ke-1, ts, te )
12914	ENDIF
12915	!
12916	!-- If the chemical component is not activated, set its mass fraction to 0 to avoid mass inbalance
12917	cc_i2m = salsa_nest_offl%cc_in2mod
12918	IF ( index_so4 < 0 .AND. cc_i2m(1) > 0 ) mf2a(:,:,:,cc_i2m(1)) = 0.0_wp
12919	IF ( index_oc < 0 .AND. cc_i2m(2) > 0 ) mf2a(:,:,:,cc_i2m(2)) = 0.0_wp
12920	IF ( index_bc < 0 .AND. cc_i2m(3) > 0 ) mf2a(:,:,:,cc_i2m(3)) = 0.0_wp
12921	IF ( index_du < 0 .AND. cc_i2m(4) > 0 ) mf2a(:,:,:,cc_i2m(4)) = 0.0_wp
12922	IF ( index_ss < 0 .AND. cc_i2m(5) > 0 ) mf2a(:,:,:,cc_i2m(5)) = 0.0_wp
12923	IF ( index_no < 0 .AND. cc_i2m(6) > 0 ) mf2a(:,:,:,cc_i2m(6)) = 0.0_wp
12924	IF ( index_nh < 0 .AND. cc_i2m(7) > 0 ) mf2a(:,:,:,cc_i2m(7)) = 0.0_wp
12925	mf2b = 0.0_wp
12926	!
12927	!-- Initialise variable type_so4_oc to indicate whether SO4 and/OC is included in mass fraction data
12928	IF ( ( cc_i2m(1) > 0 .AND. index_so4 > 0 ) .AND. ( cc_i2m(2) > 0 .AND. index_oc > 0 ) ) &
12929	THEN
12930	type_so4_oc = 1
12931	ELSEIF ( cc_i2m(1) > 0 .AND. index_so4 > 0 ) THEN
12932	type_so4_oc = 2
12933	ELSEIF ( cc_i2m(2) > 0 .AND. index_oc > 0 ) THEN
12934	type_so4_oc = 3
12935	ENDIF
12936
12937	SELECT CASE ( ibound )
12938	CASE( 1 )
12939	to_nconc = salsa_nest_offl%nconc_left
12940	to_mconc = salsa_nest_offl%mconc_left
12941	CASE( 2 )
12942	to_nconc = salsa_nest_offl%nconc_right
12943	to_mconc = salsa_nest_offl%mconc_right
12944	CASE( 3 )
12945	to_nconc = salsa_nest_offl%nconc_north
12946	to_mconc = salsa_nest_offl%mconc_north
12947	CASE( 4 )
12948	to_nconc = salsa_nest_offl%nconc_south
12949	to_mconc = salsa_nest_offl%mconc_south
12950	CASE( 5 )
12951	to_nconc = salsa_nest_offl%nconc_top
12952	to_mconc = salsa_nest_offl%mconc_top
12953	END SELECT
12954	!
12955	!-- Set mass concentrations:
12956	!
12957	!-- Regime 1:
12958	SELECT CASE ( type_so4_oc )
12959	CASE ( 1 ) ! Both SO4 and OC given
12960
12961	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a ! start
12962	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a ! end
12963	ib = start_subrange_1a
12964	DO ic = ss, ee
12965	DO i = is, ie
12966	DO k = ks, ke
12967	DO t = 0, 1
12968	pmf1a = mf2a(t,k,i,cc_i2m(1)) / ( mf2a(t,k,i,cc_i2m(1)) + mf2a(t,k,i,cc_i2m(2)) )
12969	to_mconc(t,k,i,ic) = pmf1a * to_nconc(t,k,i,ib) * core(ib) * arhoh2so4
12970	ENDDO
12971	ENDDO
12972	ENDDO
12973	ib = ib + 1
12974	ENDDO
12975	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a ! start
12976	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a ! end
12977	ib = start_subrange_1a
12978	DO ic = ss, ee
12979	DO i = is, ie
12980	DO k = ks, ke
12981	DO t = 0, 1
12982	pmf1a = mf2a(t,k,i,cc_i2m(2)) / ( mf2a(t,k,i,cc_i2m(1)) + mf2a(t,k,i,cc_i2m(2)) )
12983	to_mconc(t,k,i,ic) = pmf1a * to_nconc(t,k,i,ib) * core(ib) * arhooc
12984	ENDDO
12985	ENDDO
12986	ENDDO
12987	ib = ib + 1
12988	ENDDO
12989	CASE ( 2 ) ! Only SO4
12990	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a ! start
12991	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a ! end
12992	ib = start_subrange_1a
12993	DO ic = ss, ee
12994	DO i = is, ie
12995	DO k = ks, ke
12996	DO t = 0, 1
12997	to_mconc(t,k,i,ic) = to_nconc(t,k,i,ib) * core(ib) * arhoh2so4
12998	ENDDO
12999	ENDDO
13000	ENDDO
13001	ib = ib + 1
13002	ENDDO
13003	CASE ( 3 ) ! Only OC
13004	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a ! start
13005	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a ! end
13006	ib = start_subrange_1a
13007	DO ic = ss, ee
13008	DO i = is, ie
13009	DO k = ks, ke
13010	DO t = 0, 1
13011	to_mconc(t,k,i,ic) = to_nconc(t,k,i,ib) * core(ib) * arhooc
13012	ENDDO
13013	ENDDO
13014	ENDDO
13015	ib = ib + 1
13016	ENDDO
13017	END SELECT
13018	!
13019	!-- Regimes 2a and 2b:
13020	IF ( index_so4 > 0 ) THEN
13021	CALL set_nest_mass( index_so4, 1, arhoh2so4 )
13022	ENDIF
13023	IF ( index_oc > 0 ) THEN
13024	CALL set_nest_mass( index_oc, 2, arhooc )
13025	ENDIF
13026	IF ( index_bc > 0 ) THEN
13027	CALL set_nest_mass( index_bc, 3, arhobc )
13028	ENDIF
13029	IF ( index_du > 0 ) THEN
13030	CALL set_nest_mass( index_du, 4, arhodu )
13031	ENDIF
13032	IF ( index_ss > 0 ) THEN
13033	CALL set_nest_mass( index_ss, 5, arhoss )
13034	ENDIF
13035	IF ( index_no > 0 ) THEN
13036	CALL set_nest_mass( index_no, 6, arhohno3 )
13037	ENDIF
13038	IF ( index_nh > 0 ) THEN
13039	CALL set_nest_mass( index_nh, 7, arhonh3 )
13040	ENDIF
13041
13042	DEALLOCATE( mf2a, mf2b )
13043
13044	SELECT CASE ( ibound )
13045	CASE( 1 )
13046	salsa_nest_offl%mconc_left = to_mconc
13047	CASE( 2 )
13048	salsa_nest_offl%mconc_right = to_mconc
13049	CASE( 3 )
13050	salsa_nest_offl%mconc_north = to_mconc
13051	CASE( 4 )
13052	salsa_nest_offl%mconc_south = to_mconc
13053	CASE( 5 )
13054	salsa_nest_offl%mconc_top = to_mconc
13055	END SELECT
13056
13057	CONTAINS
13058
13059	!------------------------------------------------------------------------------!
13060	! Description:
13061	! ------------
13062	!> Set nesting boundaries for aerosol mass.
13063	!------------------------------------------------------------------------------!
13064	SUBROUTINE set_nest_mass( ispec, ispec_def, prho )
13065
13066	IMPLICIT NONE
13067
13068	INTEGER(iwp) :: ic !< chemical component index: default
13069	INTEGER(iwp) :: icc !< loop index: mass bin
13070
13071	INTEGER(iwp), INTENT(in) :: ispec !< aerosol species index
13072	INTEGER(iwp), INTENT(in) :: ispec_def !< default aerosol species index
13073
13074	REAL(wp), INTENT(in) :: prho !< aerosol density
13075	!
13076	!-- Define the index of the chemical component in the input data
13077	ic = salsa_nest_offl%cc_in2mod(ispec_def)
13078
13079	DO i = is, ie
13080	DO k = ks, ke
13081	DO t = 0, 1
13082	!
13083	!-- Regime 2a:
13084	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
13085	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
13086	ib = start_subrange_2a
13087	DO icc = ss, ee
13088	to_mconc(t,k,i,icc) = MAX( 0.0_wp, mf2a(t,k,i,ic) / SUM( mf2a(t,k,i,:) ) ) * &
13089	to_nconc(t,k,i,ib) * core(ib) * prho
13090	ib = ib + 1
13091	ENDDO
13092	!
13093	!-- Regime 2b:
13094	IF ( .NOT. no_insoluble ) THEN
13095	!
13096	!-- TODO!
13097	mf2b(t,k,i,ic) = mf2b(t,k,i,ic)
13098	ENDIF
13099	ENDDO ! k
13100
13101	ENDDO ! j
13102	ENDDO ! i
13103
13104	END SUBROUTINE set_nest_mass
13105
13106	END SUBROUTINE nesting_offl_aero_mass
13107
13108
13109	END MODULE salsa_mod

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