Home

Context Navigation

source: palm/trunk/SOURCE/salsa_mod.f90 @ 4256

Last change on this file since 4256 was 4256, checked in by monakurppa, 6 years ago
update test case urban_environment_salsa
Property svn:keywords set to `Id`
File size: 546.5 KB

Line
1	!> @file salsa_mod.f90
2	!--------------------------------------------------------------------------------!
3	! This file is part of PALM-4U.
4	!
5	! PALM-4U is free software: you can redistribute it and/or modify it under the
6	! terms of the GNU General Public License as published by the Free Software
7	! Foundation, either version 3 of the License, or (at your option) any later
8	! version.
9	!
10	! PALM-4U is distributed in the hope that it will be useful, but WITHOUT ANY
11	! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
12	! A PARTICULAR PURPOSE. See the GNU General Public License for more details.
13	!
14	! You should have received a copy of the GNU General Public License along with
15	! PALM. If not, see <http://www.gnu.org/licenses/>.
16	!
17	! Copyright 2018-2019 University of Helsinki
18	! Copyright 1997-2019 Leibniz Universitaet Hannover
19	!--------------------------------------------------------------------------------!
20	!
21	! Current revisions:
22	! -----------------
23	!
24	!
25	! Former revisions:
26	! -----------------
27	! $Id: salsa_mod.f90 4256 2019-10-07 10:08:52Z monakurppa $
28	! Document previous changes: use global variables nx, ny and nz in salsa_header
29	!
30	! 4255 2019-10-04 11:50:55Z monakurppa
31	! implement new palm_date_time_mod
32	!
33	! 4226 2019-09-10 17:03:24Z suehring
34	! Netcdf input routine for dimension length renamed
35	!
36	! 4182 2019-08-22 15:20:23Z scharf
37	! Corrected "Former revisions" section
38	!
39	! 4167 2019-08-16 11:01:48Z suehring
40	! Changed behaviour of masked output over surface to follow terrain and ignore
41	! buildings (J.Resler, T.Gronemeier)
42	!
43	! 4131 2019-08-02 11:06:18Z monakurppa
44	! - Add "salsa_" before each salsa output variable
45	! - Add a possibility to output the number (salsa_N_UFP) and mass concentration
46	! (salsa_PM0.1) of ultrafine particles, i.e. particles with a diameter smaller
47	! than 100 nm
48	! - Implement aerosol emission mode "parameterized" which is based on the street
49	! type (similar to the chemistry module).
50	! - Remove unnecessary nucleation subroutines.
51	! - Add the z-dimension for gaseous emissions to correspond the implementation
52	! in the chemistry module
53	!
54	! 4118 2019-07-25 16:11:45Z suehring
55	! - When Dirichlet condition is applied in decycling, the boundary conditions are
56	! only set at the ghost points and not at the prognostic grid points as done
57	! before
58	! - Rename decycle_ns/lr to decycle_salsa_ns/lr and decycle_method to
59	! decycle_method_salsa
60	! - Allocation and initialization of special advection flags salsa_advc_flags_s
61	! used for salsa. These are exclusively used for salsa variables to
62	! distinguish from the usually-used flags which might be different when
63	! decycling is applied in combination with cyclic boundary conditions.
64	! Moreover, salsa_advc_flags_s considers extended zones around buildings where
65	! the first-order upwind scheme is applied for the horizontal advection terms.
66	! This is done to overcome high concentration peaks due to stationary numerical
67	! oscillations caused by horizontal advection discretization.
68	!
69	! 4117 2019-07-25 08:54:02Z monakurppa
70	! Pass integer flag array as well as boundary flags to WS scalar advection
71	! routine
72	!
73	! 4109 2019-07-22 17:00:34Z suehring
74	! Slightly revise setting of boundary conditions at horizontal walls, use
75	! data-structure offset index instead of pre-calculate it for each facing
76	!
77	! 4079 2019-07-09 18:04:41Z suehring
78	! Application of monotonic flux limiter for the vertical scalar advection
79	! up to the topography top (only for the cache-optimized version at the
80	! moment).
81	!
82	! 4069 2019-07-01 14:05:51Z Giersch
83	! Masked output running index mid has been introduced as a local variable to
84	! avoid runtime error (Loop variable has been modified) in time_integration
85	!
86	! 4058 2019-06-27 15:25:42Z knoop
87	! Bugfix: to_be_resorted was uninitialized in case of s_H2O in 3d_data_averaging
88	!
89	! 4012 2019-05-31 15:19:05Z monakurppa
90	! Merge salsa branch to trunk. List of changes:
91	! - Error corrected in distr_update that resulted in the aerosol number size
92	! distribution not converging if the concentration was nclim.
93	! - Added a separate output for aerosol liquid water (s_H2O)
94	! - aerosol processes for a size bin are now calculated only if the aerosol
95	! number of concentration of that bin is > 2*nclim
96	! - An initialisation error in the subroutine "deposition" corrected and the
97	! subroutine reformatted.
98	! - stuff from salsa_util_mod.f90 moved into salsa_mod.f90
99	! - calls for closing the netcdf input files added
100	!
101	! 3956 2019-05-07 12:32:52Z monakurppa
102	! - Conceptual bug in depo_surf correct for urban and land surface model
103	! - Subroutine salsa_tendency_ij optimized.
104	! - Interfaces salsa_non_advective_processes and salsa_exchange_horiz_bounds
105	! created. These are now called in module_interface.
106	! salsa_exchange_horiz_bounds after calling salsa_driver only when needed
107	! (i.e. every dt_salsa).
108	!
109	! 3924 2019-04-23 09:33:06Z monakurppa
110	! Correct a bug introduced by the previous update.
111	!
112	! 3899 2019-04-16 14:05:27Z monakurppa
113	! - remove unnecessary error / location messages
114	! - corrected some error message numbers
115	! - allocate source arrays only if emissions or dry deposition is applied.
116	!
117	! 3885 2019-04-11 11:29:34Z kanani
118	! Changes related to global restructuring of location messages and introduction
119	! of additional debug messages
120	!
121	! 3876 2019-04-08 18:41:49Z knoop
122	! Introduced salsa_actions module interface
123	!
124	! 3871 2019-04-08 14:38:39Z knoop
125	! Major changes in formatting, performance and data input structure (see branch
126	! the history for details)
127	! - Time-dependent emissions enabled: lod=1 for yearly PM emissions that are
128	! normalised depending on the time, and lod=2 for preprocessed emissions
129	! (similar to the chemistry module).
130	! - Additionally, 'uniform' emissions allowed. This emission is set constant on
131	! all horisontal upward facing surfaces and it is created based on parameters
132	! surface_aerosol_flux, aerosol_flux_dpg/sigmag/mass_fracs_a/mass_fracs_b.
133	! - All emissions are now implemented as surface fluxes! No 3D sources anymore.
134	! - Update the emission information by calling salsa_emission_update if
135	! skip_time_do_salsa >= time_since_reference_point and
136	! next_aero_emission_update <= time_since_reference_point
137	! - Aerosol background concentrations read from PIDS_DYNAMIC. The vertical grid
138	! must match the one applied in the model.
139	! - Gas emissions and background concentrations can be also read in in salsa_mod
140	! if the chemistry module is not applied.
141	! - In deposition, information on the land use type can be now imported from
142	! the land use model
143	! - Use SI units in PARIN, i.e. n_lognorm given in #/m3 and dpg in metres.
144	! - Apply 100 character line limit
145	! - Change all variable names from capital to lowercase letter
146	! - Change real exponents to integer if possible. If not, precalculate the value
147	! value of exponent
148	! - Rename in1a to start_subrange_1a, fn2a to end_subrange_1a etc.
149	! - Rename nbins --> nbins_aerosol, ncc_tot --> ncomponents_mass and ngast -->
150	! ngases_salsa
151	! - Rename ibc to index_bc, idu to index_du etc.
152	! - Renamed loop indices b, c and sg to ib, ic and ig
153	! - run_salsa subroutine removed
154	! - Corrected a bud in salsa_driver: falsely applied ino instead of inh
155	! - Call salsa_tendency within salsa_prognostic_equations which is called in
156	! module_interface_mod instead of prognostic_equations_mod
157	! - Removed tailing white spaces and unused variables
158	! - Change error message to start by PA instead of SA
159	!
160	! 3833 2019-03-28 15:04:04Z forkel
161	! added USE chem_gasphase_mod for nvar, nspec and spc_names
162	!
163	! 3787 2019-03-07 08:43:54Z raasch
164	! unused variables removed
165	!
166	! 3780 2019-03-05 11:19:45Z forkel
167	! unused variable for file index removed from rrd-subroutines parameter list
168	!
169	! 3685 2019-01-21 01:02:11Z knoop
170	! Some interface calls moved to module_interface + cleanup
171	!
172	! 3655 2019-01-07 16:51:22Z knoop
173	! Implementation of the PALM module interface
174	! 3412 2018-10-24 07:25:57Z monakurppa
175	!
176	! Authors:
177	! --------
178	! @author Mona Kurppa (University of Helsinki)
179	!
180	!
181	! Description:
182	! ------------
183	!> Sectional aerosol module for large scale applications SALSA
184	!> (Kokkola et al., 2008, ACP 8, 2469-2483). Solves the aerosol number and mass
185	!> concentration as well as chemical composition. Includes aerosol dynamic
186	!> processes: nucleation, condensation/evaporation of vapours, coagulation and
187	!> deposition on tree leaves, ground and roofs.
188	!> Implementation is based on formulations implemented in UCLALES-SALSA except
189	!> for deposition which is based on parametrisations by Zhang et al. (2001,
190	!> Atmos. Environ. 35, 549-560) or Petroff&Zhang (2010, Geosci. Model Dev. 3,
191	!> 753-769)
192	!>
193	!> @todo Apply information from emission_stack_height to lift emission sources
194	!> @todo emission mode "parameterized", i.e. based on street type
195	!> @todo Allow insoluble emissions
196	!> @todo Apply flux limiter in prognostic equations
197	!------------------------------------------------------------------------------!
198	MODULE salsa_mod
199
200	USE basic_constants_and_equations_mod, &
201	ONLY: c_p, g, p_0, pi, r_d
202
203	USE chem_gasphase_mod, &
204	ONLY: nspec, nvar, spc_names
205
206	USE chem_modules, &
207	ONLY: call_chem_at_all_substeps, chem_gasphase_on, chem_species
208
209	USE control_parameters, &
210	ONLY: air_chemistry, bc_dirichlet_l, bc_dirichlet_n, bc_dirichlet_r, bc_dirichlet_s, &
211	bc_lr, bc_lr_cyc, bc_ns, bc_ns_cyc, bc_radiation_l, bc_radiation_n, bc_radiation_r, &
212	bc_radiation_s, coupling_char, debug_output, dt_3d, intermediate_timestep_count, &
213	intermediate_timestep_count_max, land_surface, max_pr_salsa, message_string, &
214	monotonic_limiter_z, plant_canopy, pt_surface, salsa, scalar_advec, &
215	surface_pressure, time_since_reference_point, timestep_scheme, tsc, urban_surface, &
216	ws_scheme_sca
217
218	USE indices, &
219	ONLY: nbgp, nx, nxl, nxlg, nxr, nxrg, ny, nyn, nyng, nys, nysg, nzb, nz, nzt, wall_flags_0
220
221	USE kinds
222
223	USE netcdf_data_input_mod, &
224	ONLY: chem_emis_att_type, chem_emis_val_type
225
226	USE pegrid
227
228	USE statistics, &
229	ONLY: sums_salsa_ws_l
230
231	IMPLICIT NONE
232	!
233	!-- SALSA constants:
234	!
235	!-- Local constants:
236	INTEGER(iwp), PARAMETER :: luc_urban = 15 !< default landuse type for urban
237	INTEGER(iwp), PARAMETER :: ngases_salsa = 5 !< total number of gaseous tracers:
238	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV
239	!< (non-volatile OC), 5 = OCSV (semi-volatile)
240	INTEGER(iwp), PARAMETER :: nmod = 7 !< number of modes for initialising the aerosol size
241	!< distribution
242	INTEGER(iwp), PARAMETER :: nreg = 2 !< Number of main size subranges
243	INTEGER(iwp), PARAMETER :: maxspec = 7 !< Max. number of aerosol species
244	INTEGER(iwp), PARAMETER :: season = 1 !< For dry depostion by Zhang et al.: 1 = summer,
245	!< 2 = autumn (no harvest yet), 3 = late autumn
246	!< (already frost), 4 = winter, 5 = transitional spring
247
248	REAL(wp), PARAMETER :: fill_value = -9999.0_wp !< value for the _FillValue attribute
249	!
250	!-- Universal constants
251	REAL(wp), PARAMETER :: abo = 1.380662E-23_wp !< Boltzmann constant (J/K)
252	REAL(wp), PARAMETER :: alv = 2.260E+6_wp !< latent heat for H2O
253	!< vaporisation (J/kg)
254	REAL(wp), PARAMETER :: alv_d_rv = 4896.96865_wp !< alv / rv
255	REAL(wp), PARAMETER :: am_airmol = 4.8096E-26_wp !< Average mass of one air
256	!< molecule (Jacobson,
257	!< 2005, Eq. 2.3)
258	REAL(wp), PARAMETER :: api6 = 0.5235988_wp !< pi / 6
259	REAL(wp), PARAMETER :: argas = 8.314409_wp !< Gas constant (J/(mol K))
260	REAL(wp), PARAMETER :: argas_d_cpd = 8.281283865E-3_wp !< argas per cpd
261	REAL(wp), PARAMETER :: avo = 6.02214E+23_wp !< Avogadro constant (1/mol)
262	REAL(wp), PARAMETER :: d_sa = 5.539376964394570E-10_wp !< diameter of condensing sulphuric
263	!< acid molecule (m)
264	REAL(wp), PARAMETER :: for_ppm_to_nconc = 7.243016311E+16_wp !< ppm * avo / R (K/(Pa*m3))
265	REAL(wp), PARAMETER :: epsoc = 0.15_wp !< water uptake of organic
266	!< material
267	REAL(wp), PARAMETER :: mclim = 1.0E-23_wp !< mass concentration min limit (kg/m3)
268	REAL(wp), PARAMETER :: n3 = 158.79_wp !< Number of H2SO4 molecules in 3 nm cluster
269	!< if d_sa=5.54e-10m
270	REAL(wp), PARAMETER :: nclim = 1.0_wp !< number concentration min limit (#/m3)
271	REAL(wp), PARAMETER :: surfw0 = 0.073_wp !< surface tension of water at 293 K (J/m2)
272	!
273	!-- Molar masses in kg/mol
274	REAL(wp), PARAMETER :: ambc = 12.0E-3_wp !< black carbon (BC)
275	REAL(wp), PARAMETER :: amdair = 28.970E-3_wp !< dry air
276	REAL(wp), PARAMETER :: amdu = 100.E-3_wp !< mineral dust
277	REAL(wp), PARAMETER :: amh2o = 18.0154E-3_wp !< H2O
278	REAL(wp), PARAMETER :: amh2so4 = 98.06E-3_wp !< H2SO4
279	REAL(wp), PARAMETER :: amhno3 = 63.01E-3_wp !< HNO3
280	REAL(wp), PARAMETER :: amn2o = 44.013E-3_wp !< N2O
281	REAL(wp), PARAMETER :: amnh3 = 17.031E-3_wp !< NH3
282	REAL(wp), PARAMETER :: amo2 = 31.9988E-3_wp !< O2
283	REAL(wp), PARAMETER :: amo3 = 47.998E-3_wp !< O3
284	REAL(wp), PARAMETER :: amoc = 150.E-3_wp !< organic carbon (OC)
285	REAL(wp), PARAMETER :: amss = 58.44E-3_wp !< sea salt (NaCl)
286	!
287	!-- Densities in kg/m3
288	REAL(wp), PARAMETER :: arhobc = 2000.0_wp !< black carbon
289	REAL(wp), PARAMETER :: arhodu = 2650.0_wp !< mineral dust
290	REAL(wp), PARAMETER :: arhoh2o = 1000.0_wp !< H2O
291	REAL(wp), PARAMETER :: arhoh2so4 = 1830.0_wp !< SO4
292	REAL(wp), PARAMETER :: arhohno3 = 1479.0_wp !< HNO3
293	REAL(wp), PARAMETER :: arhonh3 = 1530.0_wp !< NH3
294	REAL(wp), PARAMETER :: arhooc = 2000.0_wp !< organic carbon
295	REAL(wp), PARAMETER :: arhoss = 2165.0_wp !< sea salt (NaCl)
296	!
297	!-- Volume of molecule in m3/#
298	REAL(wp), PARAMETER :: amvh2o = amh2o /avo / arhoh2o !< H2O
299	REAL(wp), PARAMETER :: amvh2so4 = amh2so4 / avo / arhoh2so4 !< SO4
300	REAL(wp), PARAMETER :: amvhno3 = amhno3 / avo / arhohno3 !< HNO3
301	REAL(wp), PARAMETER :: amvnh3 = amnh3 / avo / arhonh3 !< NH3
302	REAL(wp), PARAMETER :: amvoc = amoc / avo / arhooc !< OC
303	REAL(wp), PARAMETER :: amvss = amss / avo / arhoss !< sea salt
304	!
305	!-- Constants for the dry deposition model by Petroff and Zhang (2010):
306	!-- obstacle characteristic dimension "L" (cm) (plane obstacle by default) and empirical constants
307	!-- C_B, C_IN, C_IM, beta_IM and C_IT for each land use category (15, as in Zhang et al. (2001))
308	REAL(wp), DIMENSION(1:15), PARAMETER :: l_p10 = &
309	(/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/)
310	REAL(wp), DIMENSION(1:15), PARAMETER :: c_b_p10 = &
311	(/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/)
312	REAL(wp), DIMENSION(1:15), PARAMETER :: c_in_p10 = &
313	(/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/)
314	REAL(wp), DIMENSION(1:15), PARAMETER :: c_im_p10 = &
315	(/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/)
316	REAL(wp), DIMENSION(1:15), PARAMETER :: beta_im_p10 = &
317	(/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/)
318	REAL(wp), DIMENSION(1:15), PARAMETER :: c_it_p10 = &
319	(/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/)
320	!
321	!-- Constants for the dry deposition model by Zhang et al. (2001):
322	!-- empirical constants "alpha" and "gamma" and characteristic radius "A" for
323	!-- each land use category (15) and season (5)
324	REAL(wp), DIMENSION(1:15), PARAMETER :: alpha_z01 = &
325	(/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/)
326	REAL(wp), DIMENSION(1:15), PARAMETER :: gamma_z01 = &
327	(/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/)
328	REAL(wp), DIMENSION(1:15,1:5), PARAMETER :: A_z01 = RESHAPE( (/&
329	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
330	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
331	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
332	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
333	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
334	/), (/ 15, 5 /) )
335	!-- Land use categories (based on Z01 but the same applies here also for P10):
336	!-- 1 = evergreen needleleaf trees,
337	!-- 2 = evergreen broadleaf trees,
338	!-- 3 = deciduous needleleaf trees,
339	!-- 4 = deciduous broadleaf trees,
340	!-- 5 = mixed broadleaf and needleleaf trees (deciduous broadleaf trees for P10),
341	!-- 6 = grass (short grass for P10),
342	!-- 7 = crops, mixed farming,
343	!-- 8 = desert,
344	!-- 9 = tundra,
345	!-- 10 = shrubs and interrupted woodlands (thorn shrubs for P10),
346	!-- 11 = wetland with plants (long grass for P10)
347	!-- 12 = ice cap and glacier,
348	!-- 13 = inland water (inland lake for P10)
349	!-- 14 = ocean (water for P10),
350	!-- 15 = urban
351	!
352	!-- SALSA variables:
353	CHARACTER(LEN=20) :: bc_salsa_b = 'neumann' !< bottom boundary condition
354	CHARACTER(LEN=20) :: bc_salsa_t = 'neumann' !< top boundary condition
355	CHARACTER(LEN=20) :: depo_pcm_par = 'zhang2001' !< or 'petroff2010'
356	CHARACTER(LEN=20) :: depo_pcm_type = 'deciduous_broadleaf' !< leaf type
357	CHARACTER(LEN=20) :: depo_surf_par = 'zhang2001' !< or 'petroff2010'
358	CHARACTER(LEN=100) :: input_file_dynamic = 'PIDS_DYNAMIC' !< file name for dynamic input
359	CHARACTER(LEN=100) :: input_file_salsa = 'PIDS_SALSA' !< file name for emission data
360	CHARACTER(LEN=20) :: salsa_emission_mode = 'no_emission' !< 'no_emission', 'uniform',
361	!< 'parameterized', 'read_from_file'
362
363	CHARACTER(LEN=20), DIMENSION(4) :: decycle_method_salsa = &
364	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
365	!< Decycling method at horizontal boundaries
366	!< 1=left, 2=right, 3=south, 4=north
367	!< dirichlet = initial profiles for the ghost and first 3 layers
368	!< neumann = zero gradient
369
370	CHARACTER(LEN=3), DIMENSION(maxspec) :: listspec = & !< Active aerosols
371	(/'SO4',' ',' ',' ',' ',' ',' '/)
372
373	INTEGER(iwp) :: depo_pcm_par_num = 1 !< parametrisation type: 1=zhang2001, 2=petroff2010
374	INTEGER(iwp) :: depo_pcm_type_num = 0 !< index for the dry deposition type on the plant canopy
375	INTEGER(iwp) :: depo_surf_par_num = 1 !< parametrisation type: 1=zhang2001, 2=petroff2010
376	INTEGER(iwp) :: dots_salsa = 0 !< starting index for salsa-timeseries
377	INTEGER(iwp) :: end_subrange_1a = 1 !< last index for bin subrange 1a
378	INTEGER(iwp) :: end_subrange_2a = 1 !< last index for bin subrange 2a
379	INTEGER(iwp) :: end_subrange_2b = 1 !< last index for bin subrange 2b
380	INTEGER(iwp) :: ibc_salsa_b !< index for the bottom boundary condition
381	INTEGER(iwp) :: ibc_salsa_t !< index for the top boundary condition
382	INTEGER(iwp) :: index_bc = -1 !< index for black carbon (BC)
383	INTEGER(iwp) :: index_du = -1 !< index for dust
384	INTEGER(iwp) :: index_nh = -1 !< index for NH3
385	INTEGER(iwp) :: index_no = -1 !< index for HNO3
386	INTEGER(iwp) :: index_oc = -1 !< index for organic carbon (OC)
387	INTEGER(iwp) :: index_so4 = -1 !< index for SO4 or H2SO4
388	INTEGER(iwp) :: index_ss = -1 !< index for sea salt
389	INTEGER(iwp) :: init_aerosol_type = 0 !< Initial size distribution type
390	!< 0 = uniform (read from PARIN)
391	!< 1 = read vertical profile of the mode number
392	!< concentration from an input file
393	INTEGER(iwp) :: init_gases_type = 0 !< Initial gas concentration type
394	!< 0 = uniform (read from PARIN)
395	!< 1 = read vertical profile from an input file
396	INTEGER(iwp) :: lod_gas_emissions = 0 !< level of detail of the gaseous emission data
397	INTEGER(iwp) :: main_street_id = 0 !< lower bound of main street IDs (OpenStreetMaps) for parameterized mode
398	INTEGER(iwp) :: max_street_id = 0 !< upper bound of main street IDs (OpenStreetMaps) for parameterized mode
399	INTEGER(iwp) :: nbins_aerosol = 1 !< total number of size bins
400	INTEGER(iwp) :: ncc = 1 !< number of chemical components used
401	INTEGER(iwp) :: ncomponents_mass = 1 !< total number of chemical compounds (ncc+1)
402	!< if particle water is advected)
403	INTEGER(iwp) :: nj3 = 1 !< J3 parametrization (nucleation)
404	!< 1 = condensational sink (Kerminen&Kulmala, 2002)
405	!< 2 = coagulational sink (Lehtinen et al. 2007)
406	!< 3 = coagS+self-coagulation (Anttila et al. 2010)
407	INTEGER(iwp) :: nsnucl = 0 !< Choice of the nucleation scheme:
408	!< 0 = off
409	!< 1 = binary nucleation
410	!< 2 = activation type nucleation
411	!< 3 = kinetic nucleation
412	!< 4 = ternary nucleation
413	!< 5 = nucleation with ORGANICs
414	!< 6 = activation type of nucleation with H2SO4+ORG
415	!< 7 = heteromolecular nucleation with H2SO4*ORG
416	!< 8 = homomolecular nucleation of H2SO4
417	!< + heteromolecular nucleation with H2SO4*ORG
418	!< 9 = homomolecular nucleation of H2SO4 and ORG
419	!< + heteromolecular nucleation with H2SO4*ORG
420	INTEGER(iwp) :: salsa_pr_count = 0 !< counter for salsa variable profiles
421	INTEGER(iwp) :: side_street_id = 0 !< lower bound of side street IDs (OpenStreetMaps) for parameterized mode
422	INTEGER(iwp) :: start_subrange_1a = 1 !< start index for bin subranges: subrange 1a
423	INTEGER(iwp) :: start_subrange_2a = 1 !< subrange 2a
424	INTEGER(iwp) :: start_subrange_2b = 1 !< subrange 2b
425
426	INTEGER(iwp), DIMENSION(nreg) :: nbin = (/ 3, 7/) !< Number of size bins per subrange: 1 & 2
427
428	INTEGER(iwp), DIMENSION(ngases_salsa) :: gas_index_chem = (/ 1, 1, 1, 1, 1/) !< gas indices in chemistry_model_mod
429	!< 1 = H2SO4, 2 = HNO3,
430	!< 3 = NH3, 4 = OCNV, 5 = OCSV
431	INTEGER(iwp), DIMENSION(ngases_salsa) :: emission_index_chem !< gas indices in the gas emission file
432	INTEGER(iwp), DIMENSION(99) :: salsa_pr_index = 0 !< index for salsa profiles
433
434	INTEGER(iwp), DIMENSION(:,:), ALLOCATABLE :: k_topo_top !< vertical index of the topography top
435
436	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: salsa_advc_flags_s !< flags used to degrade order of advection
437	!< scheme for salsa variables near walls and
438	!< lateral boundaries
439	!
440	!-- SALSA switches:
441	LOGICAL :: advect_particle_water = .TRUE. !< Advect water concentration of particles
442	LOGICAL :: decycle_salsa_lr = .FALSE. !< Undo cyclic boundaries: left and right
443	LOGICAL :: decycle_salsa_ns = .FALSE. !< Undo cyclic boundaries: north and south
444	LOGICAL :: include_emission = .FALSE. !< Include or not emissions
445	LOGICAL :: feedback_to_palm = .FALSE. !< Allow feedback due to condensation of H2O
446	LOGICAL :: nest_salsa = .FALSE. !< Apply nesting for salsa
447	LOGICAL :: no_insoluble = .FALSE. !< Exclude insoluble chemical components
448	LOGICAL :: read_restart_data_salsa = .FALSE. !< Read restart data for salsa
449	LOGICAL :: salsa_gases_from_chem = .FALSE. !< Transfer the gaseous components to SALSA from
450	!< the chemistry model
451	LOGICAL :: van_der_waals_coagc = .FALSE. !< Enhancement of coagulation kernel by van der
452	!< Waals and viscous forces
453	LOGICAL :: write_binary_salsa = .FALSE. !< read binary for salsa
454	!
455	!-- Process switches: nl* is read from the NAMELIST and is NOT changed.
456	!-- ls* is the switch used and will get the value of nl*
457	!-- except for special circumstances (spinup period etc.)
458	LOGICAL :: nlcoag = .FALSE. !< Coagulation master switch
459	LOGICAL :: lscoag = .FALSE. !<
460	LOGICAL :: nlcnd = .FALSE. !< Condensation master switch
461	LOGICAL :: lscnd = .FALSE. !<
462	LOGICAL :: nlcndgas = .FALSE. !< Condensation of precursor gases
463	LOGICAL :: lscndgas = .FALSE. !<
464	LOGICAL :: nlcndh2oae = .FALSE. !< Condensation of H2O on aerosol
465	LOGICAL :: lscndh2oae = .FALSE. !< particles (FALSE -> equilibrium calc.)
466	LOGICAL :: nldepo = .FALSE. !< Deposition master switch
467	LOGICAL :: lsdepo = .FALSE. !<
468	LOGICAL :: nldepo_surf = .FALSE. !< Deposition on vegetation master switch
469	LOGICAL :: lsdepo_surf = .FALSE. !<
470	LOGICAL :: nldepo_pcm = .FALSE. !< Deposition on walls master switch
471	LOGICAL :: lsdepo_pcm = .FALSE. !<
472	LOGICAL :: nldistupdate = .TRUE. !< Size distribution update master switch
473	LOGICAL :: lsdistupdate = .FALSE. !<
474	LOGICAL :: lspartition = .FALSE. !< Partition of HNO3 and NH3
475
476	REAL(wp) :: act_coeff = 1.0E-7_wp !< Activation coefficient (1/s)
477	REAL(wp) :: dt_salsa = 0.00001_wp !< Time step of SALSA
478	REAL(wp) :: emiss_factor_main = 0.0_wp !< relative emission factor for main streets
479	REAL(wp) :: emiss_factor_side = 0.0_wp !< relative emission factor for side streets
480	REAL(wp) :: h2so4_init = nclim !< Init value for sulphuric acid gas
481	REAL(wp) :: hno3_init = nclim !< Init value for nitric acid gas
482	REAL(wp) :: last_salsa_time = 0.0_wp !< previous salsa call
483	REAL(wp) :: next_aero_emission_update = 0.0_wp !< previous emission update
484	REAL(wp) :: next_gas_emission_update = 0.0_wp !< previous emission update
485	REAL(wp) :: nf2a = 1.0_wp !< Number fraction allocated to 2a-bins
486	REAL(wp) :: nh3_init = nclim !< Init value for ammonia gas
487	REAL(wp) :: ocnv_init = nclim !< Init value for non-volatile organic gases
488	REAL(wp) :: ocsv_init = nclim !< Init value for semi-volatile organic gases
489	REAL(wp) :: rhlim = 1.20_wp !< RH limit in %/100. Prevents unrealistical RH
490	REAL(wp) :: skip_time_do_salsa = 0.0_wp !< Starting time of SALSA (s)
491	!
492	!-- Initial log-normal size distribution: mode diameter (dpg, metres),
493	!-- standard deviation (sigmag) and concentration (n_lognorm, #/m3)
494	REAL(wp), DIMENSION(nmod) :: dpg = &
495	(/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/)
496	REAL(wp), DIMENSION(nmod) :: sigmag = &
497	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
498	REAL(wp), DIMENSION(nmod) :: n_lognorm = &
499	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
500	!
501	!-- Initial mass fractions / chemical composition of the size distribution
502	REAL(wp), DIMENSION(maxspec) :: mass_fracs_a = & !< mass fractions between
503	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for A bins
504	REAL(wp), DIMENSION(maxspec) :: mass_fracs_b = & !< mass fractions between
505	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for B bins
506	REAL(wp), DIMENSION(nreg+1) :: reglim = & !< Min&max diameters of size subranges
507	(/ 3.0E-9_wp, 5.0E-8_wp, 1.0E-5_wp/)
508	!
509	!-- Initial log-normal size distribution: mode diameter (dpg, metres), standard deviation (sigmag)
510	!-- concentration (n_lognorm, #/m3) and mass fractions of all chemical components (listed in
511	!-- listspec) for both a (soluble) and b (insoluble) bins.
512	REAL(wp), DIMENSION(nmod) :: aerosol_flux_dpg = &
513	(/1.3E-8_wp, 5.4E-8_wp, 8.6E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp/)
514	REAL(wp), DIMENSION(nmod) :: aerosol_flux_sigmag = &
515	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
516	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_a = &
517	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
518	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_b = &
519	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
520	REAL(wp), DIMENSION(nmod) :: surface_aerosol_flux = &
521	(/1.0E+8_wp, 1.0E+9_wp, 1.0E+5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
522
523	REAL(wp), DIMENSION(:), ALLOCATABLE :: bin_low_limits !< to deliver information about
524	!< the lower diameters per bin
525	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_am_t_val !< vertical gradient of: aerosol mass
526	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_an_t_val !< of: aerosol number
527	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_gt_t_val !< salsa gases near domain top
528	REAL(wp), DIMENSION(:), ALLOCATABLE :: gas_emission_time !< Time array in gas emission data (s)
529	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect !< Background number concentrations
530	REAL(wp), DIMENSION(:), ALLOCATABLE :: massacc !< Mass accomodation coefficients
531	!
532	!-- SALSA derived datatypes:
533	!
534	!-- Component index
535	TYPE component_index
536	CHARACTER(len=3), ALLOCATABLE :: comp(:) !< Component name
537	INTEGER(iwp) :: ncomp !< Number of components
538	INTEGER(iwp), ALLOCATABLE :: ind(:) !< Component index
539	END TYPE component_index
540	!
541	!-- For matching LSM and USM surface types and the deposition module surface types
542	TYPE match_surface
543	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_lupg !< index for pavement / green roofs
544	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_luvw !< index for vegetation / walls
545	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_luww !< index for water / windows
546	END TYPE match_surface
547	!
548	!-- Aerosol emission data attributes
549	TYPE salsa_emission_attribute_type
550
551	CHARACTER(LEN=25) :: units
552
553	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cat_name !<
554	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !<
555	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: unit_time !<
556	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !<
557
558	INTEGER(iwp) :: lod = 0 !< level of detail
559	INTEGER(iwp) :: nbins = 10 !< number of aerosol size bins
560	INTEGER(iwp) :: ncat = 0 !< number of emission categories
561	INTEGER(iwp) :: ncc = 7 !< number of aerosol chemical components
562	INTEGER(iwp) :: nhoursyear = 0 !< number of hours: HOURLY mode
563	INTEGER(iwp) :: nmonthdayhour = 0 !< number of month days and hours: MDH mode
564	INTEGER(iwp) :: num_vars !< number of variables
565	INTEGER(iwp) :: nt = 0 !< number of time steps
566	INTEGER(iwp) :: nz = 0 !< number of vertical levels
567	INTEGER(iwp) :: tind !< time index for reference time in salsa emission data
568
569	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod = 0 !<
570
571	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cat_index !< Index of emission categories
572	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cc_index !< Index of chemical components
573
574	REAL(wp) :: conversion_factor !< unit conversion factor for aerosol emissions
575
576	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< mean diameters of size bins (m)
577	REAL(wp), DIMENSION(:), ALLOCATABLE :: rho !< average density (kg/m3)
578	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time (s)
579	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
580	REAL(wp), DIMENSION(:), ALLOCATABLE :: z !< height (m)
581
582	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: etf !< emission time factor
583	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: stack_height
584
585	END TYPE salsa_emission_attribute_type
586	!
587	!-- The default size distribution and mass composition per emission category:
588	!-- 1 = traffic, 2 = road dust, 3 = wood combustion, 4 = other
589	!-- Mass fractions: H2SO4, OC, BC, DU, SS, HNO3, NH3
590	TYPE salsa_emission_mode_type
591
592	INTEGER(iwp) :: ndm = 3 !< number of default modes
593	INTEGER(iwp) :: ndc = 4 !< number of default categories
594
595	CHARACTER(LEN=25), DIMENSION(1:4) :: cat_name_table = (/'traffic exhaust', &
596	'road dust ', &
597	'wood combustion', &
598	'other '/)
599
600	INTEGER(iwp), DIMENSION(1:4) :: cat_input_to_model !<
601
602	REAL(wp), DIMENSION(1:3) :: dpg_table = (/ 13.5E-9_wp, 1.4E-6_wp, 5.4E-8_wp/) !<
603	REAL(wp), DIMENSION(1:3) :: ntot_table !<
604	REAL(wp), DIMENSION(1:3) :: sigmag_table = (/ 1.6_wp, 1.4_wp, 1.7_wp /) !<
605
606	REAL(wp), DIMENSION(1:maxspec,1:4) :: mass_frac_table = & !<
607	RESHAPE( (/ 0.04_wp, 0.48_wp, 0.48_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
608	0.0_wp, 0.05_wp, 0.0_wp, 0.95_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
609	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
610	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp &
611	/), (/maxspec,4/) )
612
613	REAL(wp), DIMENSION(1:3,1:4) :: pm_frac_table = & !< rel. mass
614	RESHAPE( (/ 0.016_wp, 0.000_wp, 0.984_wp, &
615	0.000_wp, 1.000_wp, 0.000_wp, &
616	0.000_wp, 0.000_wp, 1.000_wp, &
617	1.000_wp, 0.000_wp, 1.000_wp &
618	/), (/3,4/) )
619
620	END TYPE salsa_emission_mode_type
621	!
622	!-- Aerosol emission data values
623	TYPE salsa_emission_value_type
624
625	REAL(wp) :: fill !< fill value
626
627	REAL(wp), DIMENSION(:), ALLOCATABLE :: preproc_mass_fracs !< mass fractions
628
629	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: def_mass_fracs !< mass fractions per emis. category
630
631	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: def_data !< surface emission values in PM
632	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: preproc_data !< surface emission values per bin
633
634	END TYPE salsa_emission_value_type
635	!
636	!-- Prognostic variable: Aerosol size bin information (number (#/m3) and mass (kg/m3) concentration)
637	!-- and the concentration of gaseous tracers (#/m3). Gas tracers are contained sequentially in
638	!-- dimension 4 as:
639	!-- 1. H2SO4, 2. HNO3, 3. NH3, 4. OCNV (non-volatile organics), 5. OCSV (semi-volatile)
640	TYPE salsa_variable
641
642	REAL(wp), DIMENSION(:), ALLOCATABLE :: init !<
643
644	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: diss_s !<
645	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: flux_s !<
646	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: source !<
647	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: sums_ws_l !<
648
649	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: diss_l !<
650	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: flux_l !<
651
652	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: conc !<
653	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: conc_p !<
654	REAL(wp), DIMENSION(:,:,:), POINTER, CONTIGUOUS :: tconc_m !<
655
656	END TYPE salsa_variable
657	!
658	!-- Datatype used to store information about the binned size distributions of aerosols
659	TYPE t_section
660
661	REAL(wp) :: dmid !< bin middle diameter (m)
662	REAL(wp) :: vhilim !< bin volume at the high limit
663	REAL(wp) :: vlolim !< bin volume at the low limit
664	REAL(wp) :: vratiohi !< volume ratio between the center and high limit
665	REAL(wp) :: vratiolo !< volume ratio between the center and low limit
666	!******************************************************
667	! ^ Do NOT change the stuff above after initialization !
668	!******************************************************
669	REAL(wp) :: core !< Volume of dry particle
670	REAL(wp) :: dwet !< Wet diameter or mean droplet diameter (m)
671	REAL(wp) :: numc !< Number concentration of particles/droplets (#/m3)
672	REAL(wp) :: veqh2o !< Equilibrium H2O concentration for each particle
673
674	REAL(wp), DIMENSION(maxspec+1) :: volc !< Volume concentrations (m^3/m^3) of aerosols +
675	!< water. Since most of the stuff in SALSA is hard
676	!< coded, these have to be in the order
677	!< 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
678	END TYPE t_section
679
680	TYPE(salsa_emission_attribute_type) :: aero_emission_att !< emission attributes
681	TYPE(salsa_emission_value_type) :: aero_emission !< emission values
682	TYPE(salsa_emission_mode_type) :: def_modes !< default emission modes
683
684	TYPE(chem_emis_att_type) :: chem_emission_att !< chemistry emission attributes
685
686	TYPE(chem_emis_val_type), DIMENSION(:), ALLOCATABLE :: chem_emission !< chemistry emissions
687
688	TYPE(t_section), DIMENSION(:), ALLOCATABLE :: aero !< local aerosol properties
689
690	TYPE(match_surface) :: lsm_to_depo_h !< to match the deposition module and horizontal LSM surfaces
691	TYPE(match_surface) :: usm_to_depo_h !< to match the deposition module and horizontal USM surfaces
692
693	TYPE(match_surface), DIMENSION(0:3) :: lsm_to_depo_v !< to match the deposition mod. and vertical LSM surfaces
694	TYPE(match_surface), DIMENSION(0:3) :: usm_to_depo_v !< to match the deposition mod. and vertical USM surfaces
695	!
696	!-- SALSA variables: as x = x(k,j,i,bin).
697	!-- The 4th dimension contains all the size bins sequentially for each aerosol species + water.
698	!
699	!-- Prognostic variables:
700	!
701	!-- Number concentration (#/m3)
702	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: aerosol_number !<
703	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_1 !<
704	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_2 !<
705	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nconc_3 !<
706	!
707	!-- Mass concentration (kg/m3)
708	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: aerosol_mass !<
709	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_1 !<
710	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_2 !<
711	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mconc_3 !<
712	!
713	!-- Gaseous concentrations (#/m3)
714	TYPE(salsa_variable), DIMENSION(:), ALLOCATABLE, TARGET :: salsa_gas !<
715	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_1 !<
716	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_2 !<
717	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: gconc_3 !<
718	!
719	!-- Diagnostic tracers
720	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: sedim_vd !< sedimentation velocity per bin (m/s)
721	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: ra_dry !< aerosol dry radius (m)
722
723	!-- Particle component index tables
724	TYPE(component_index) :: prtcl !< Contains "getIndex" which gives the index for a given aerosol
725	!< component name: 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
726	!
727	!-- Data output arrays:
728	!
729	!-- Gases:
730	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_h2so4_av !< H2SO4
731	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_hno3_av !< HNO3
732	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_nh3_av !< NH3
733	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_ocnv_av !< non-volatile OC
734	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: g_ocsv_av !< semi-volatile OC
735	!
736	!-- Integrated:
737	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: ldsa_av !< lung-deposited surface area
738	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: ntot_av !< total number concentration
739	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: nufp_av !< ultrafine particles (UFP)
740	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm01_av !< PM0.1
741	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm25_av !< PM2.5
742	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: pm10_av !< PM10
743	!
744	!-- In the particle phase:
745	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_bc_av !< black carbon
746	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_du_av !< dust
747	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_h2o_av !< liquid water
748	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_nh_av !< ammonia
749	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_no_av !< nitrates
750	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_oc_av !< org. carbon
751	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_so4_av !< sulphates
752	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: s_ss_av !< sea salt
753	!
754	!-- Bin specific mass and number concentrations:
755	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: mbins_av !< bin mas
756	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: nbins_av !< bin number
757
758	!
759	!-- PALM interfaces:
760
761	INTERFACE salsa_actions
762	MODULE PROCEDURE salsa_actions
763	MODULE PROCEDURE salsa_actions_ij
764	END INTERFACE salsa_actions
765
766	INTERFACE salsa_3d_data_averaging
767	MODULE PROCEDURE salsa_3d_data_averaging
768	END INTERFACE salsa_3d_data_averaging
769
770	INTERFACE salsa_boundary_conds
771	MODULE PROCEDURE salsa_boundary_conds
772	MODULE PROCEDURE salsa_boundary_conds_decycle
773	END INTERFACE salsa_boundary_conds
774
775	INTERFACE salsa_check_data_output
776	MODULE PROCEDURE salsa_check_data_output
777	END INTERFACE salsa_check_data_output
778
779	INTERFACE salsa_check_data_output_pr
780	MODULE PROCEDURE salsa_check_data_output_pr
781	END INTERFACE salsa_check_data_output_pr
782
783	INTERFACE salsa_check_parameters
784	MODULE PROCEDURE salsa_check_parameters
785	END INTERFACE salsa_check_parameters
786
787	INTERFACE salsa_data_output_2d
788	MODULE PROCEDURE salsa_data_output_2d
789	END INTERFACE salsa_data_output_2d
790
791	INTERFACE salsa_data_output_3d
792	MODULE PROCEDURE salsa_data_output_3d
793	END INTERFACE salsa_data_output_3d
794
795	INTERFACE salsa_data_output_mask
796	MODULE PROCEDURE salsa_data_output_mask
797	END INTERFACE salsa_data_output_mask
798
799	INTERFACE salsa_define_netcdf_grid
800	MODULE PROCEDURE salsa_define_netcdf_grid
801	END INTERFACE salsa_define_netcdf_grid
802
803	INTERFACE salsa_driver
804	MODULE PROCEDURE salsa_driver
805	END INTERFACE salsa_driver
806
807	INTERFACE salsa_emission_update
808	MODULE PROCEDURE salsa_emission_update
809	END INTERFACE salsa_emission_update
810
811	INTERFACE salsa_exchange_horiz_bounds
812	MODULE PROCEDURE salsa_exchange_horiz_bounds
813	END INTERFACE salsa_exchange_horiz_bounds
814
815	INTERFACE salsa_header
816	MODULE PROCEDURE salsa_header
817	END INTERFACE salsa_header
818
819	INTERFACE salsa_init
820	MODULE PROCEDURE salsa_init
821	END INTERFACE salsa_init
822
823	INTERFACE salsa_init_arrays
824	MODULE PROCEDURE salsa_init_arrays
825	END INTERFACE salsa_init_arrays
826
827	INTERFACE salsa_non_advective_processes
828	MODULE PROCEDURE salsa_non_advective_processes
829	MODULE PROCEDURE salsa_non_advective_processes_ij
830	END INTERFACE salsa_non_advective_processes
831
832	INTERFACE salsa_parin
833	MODULE PROCEDURE salsa_parin
834	END INTERFACE salsa_parin
835
836	INTERFACE salsa_prognostic_equations
837	MODULE PROCEDURE salsa_prognostic_equations
838	MODULE PROCEDURE salsa_prognostic_equations_ij
839	END INTERFACE salsa_prognostic_equations
840
841	INTERFACE salsa_rrd_local
842	MODULE PROCEDURE salsa_rrd_local
843	END INTERFACE salsa_rrd_local
844
845	INTERFACE salsa_statistics
846	MODULE PROCEDURE salsa_statistics
847	END INTERFACE salsa_statistics
848
849	INTERFACE salsa_swap_timelevel
850	MODULE PROCEDURE salsa_swap_timelevel
851	END INTERFACE salsa_swap_timelevel
852
853	INTERFACE salsa_tendency
854	MODULE PROCEDURE salsa_tendency
855	MODULE PROCEDURE salsa_tendency_ij
856	END INTERFACE salsa_tendency
857
858	INTERFACE salsa_wrd_local
859	MODULE PROCEDURE salsa_wrd_local
860	END INTERFACE salsa_wrd_local
861
862
863	SAVE
864
865	PRIVATE
866	!
867	!-- Public functions:
868	PUBLIC salsa_boundary_conds, salsa_check_data_output, salsa_check_parameters, &
869	salsa_3d_data_averaging, salsa_data_output_2d, salsa_data_output_3d, &
870	salsa_data_output_mask, salsa_define_netcdf_grid, salsa_diagnostics, salsa_driver, &
871	salsa_emission_update, salsa_header, salsa_init, salsa_init_arrays, salsa_parin, &
872	salsa_rrd_local, salsa_swap_timelevel, salsa_prognostic_equations, salsa_wrd_local, &
873	salsa_actions, salsa_non_advective_processes, salsa_exchange_horiz_bounds, &
874	salsa_check_data_output_pr, salsa_statistics
875	!
876	!-- Public parameters, constants and initial values
877	PUBLIC bc_am_t_val, bc_an_t_val, bc_gt_t_val, dots_salsa, dt_salsa, &
878	ibc_salsa_b, last_salsa_time, lsdepo, nest_salsa, salsa, salsa_gases_from_chem, &
879	skip_time_do_salsa
880	!
881	!-- Public prognostic variables
882	PUBLIC aerosol_mass, aerosol_number, gconc_2, mconc_2, nbins_aerosol, ncc, ncomponents_mass, &
883	nclim, nconc_2, ngases_salsa, prtcl, ra_dry, salsa_gas, sedim_vd
884
885
886	CONTAINS
887
888	!------------------------------------------------------------------------------!
889	! Description:
890	! ------------
891	!> Parin for &salsa_par for new modules
892	!------------------------------------------------------------------------------!
893	SUBROUTINE salsa_parin
894
895	USE control_parameters, &
896	ONLY: data_output_pr
897
898	IMPLICIT NONE
899
900	CHARACTER(LEN=80) :: line !< dummy string that contains the current line of parameter file
901
902	INTEGER(iwp) :: i !< loop index
903	INTEGER(iwp) :: max_pr_salsa_tmp !< dummy variable
904
905	NAMELIST /salsa_parameters/ aerosol_flux_dpg, &
906	aerosol_flux_mass_fracs_a, &
907	aerosol_flux_mass_fracs_b, &
908	aerosol_flux_sigmag, &
909	advect_particle_water, &
910	bc_salsa_b, &
911	bc_salsa_t, &
912	decycle_salsa_lr, &
913	decycle_method_salsa, &
914	decycle_salsa_ns, &
915	depo_pcm_par, &
916	depo_pcm_type, &
917	depo_surf_par, &
918	dpg, &
919	dt_salsa, &
920	emiss_factor_main, &
921	emiss_factor_side, &
922	feedback_to_palm, &
923	h2so4_init, &
924	hno3_init, &
925	init_gases_type, &
926	init_aerosol_type, &
927	listspec, &
928	main_street_id, &
929	mass_fracs_a, &
930	mass_fracs_b, &
931	max_street_id, &
932	n_lognorm, &
933	nbin, &
934	nest_salsa, &
935	nf2a, &
936	nh3_init, &
937	nj3, &
938	nlcnd, &
939	nlcndgas, &
940	nlcndh2oae, &
941	nlcoag, &
942	nldepo, &
943	nldepo_pcm, &
944	nldepo_surf, &
945	nldistupdate, &
946	nsnucl, &
947	ocnv_init, &
948	ocsv_init, &
949	read_restart_data_salsa, &
950	reglim, &
951	salsa, &
952	salsa_emission_mode, &
953	sigmag, &
954	side_street_id, &
955	skip_time_do_salsa, &
956	surface_aerosol_flux, &
957	van_der_waals_coagc, &
958	write_binary_salsa
959
960	line = ' '
961	!
962	!-- Try to find salsa package
963	REWIND ( 11 )
964	line = ' '
965	DO WHILE ( INDEX( line, '&salsa_parameters' ) == 0 )
966	READ ( 11, '(A)', END=10 ) line
967	ENDDO
968	BACKSPACE ( 11 )
969	!
970	!-- Read user-defined namelist
971	READ ( 11, salsa_parameters )
972	!
973	!-- Enable salsa (salsa switch in modules.f90)
974	salsa = .TRUE.
975
976	10 CONTINUE
977	!
978	!-- Update the number of output profiles
979	max_pr_salsa_tmp = 0
980	i = 1
981	DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 )
982	IF ( TRIM( data_output_pr(i)(1:6) ) == 'salsa_' ) max_pr_salsa_tmp = max_pr_salsa_tmp + 1
983	i = i + 1
984	ENDDO
985	IF ( max_pr_salsa_tmp > 0 ) max_pr_salsa = max_pr_salsa_tmp
986
987	END SUBROUTINE salsa_parin
988
989	!------------------------------------------------------------------------------!
990	! Description:
991	! ------------
992	!> Check parameters routine for salsa.
993	!------------------------------------------------------------------------------!
994	SUBROUTINE salsa_check_parameters
995
996	USE control_parameters, &
997	ONLY: humidity
998
999	IMPLICIT NONE
1000
1001	!
1002	!-- Checks go here (cf. check_parameters.f90).
1003	IF ( salsa .AND. .NOT. humidity ) THEN
1004	WRITE( message_string, * ) 'salsa = ', salsa, ' is not allowed with humidity = ', humidity
1005	CALL message( 'salsa_check_parameters', 'PA0594', 1, 2, 0, 6, 0 )
1006	ENDIF
1007
1008	IF ( bc_salsa_b == 'dirichlet' ) THEN
1009	ibc_salsa_b = 0
1010	ELSEIF ( bc_salsa_b == 'neumann' ) THEN
1011	ibc_salsa_b = 1
1012	ELSE
1013	message_string = 'unknown boundary condition: bc_salsa_b = "' // TRIM( bc_salsa_t ) // '"'
1014	CALL message( 'salsa_check_parameters', 'PA0595', 1, 2, 0, 6, 0 )
1015	ENDIF
1016
1017	IF ( bc_salsa_t == 'dirichlet' ) THEN
1018	ibc_salsa_t = 0
1019	ELSEIF ( bc_salsa_t == 'neumann' ) THEN
1020	ibc_salsa_t = 1
1021	ELSEIF ( bc_salsa_t == 'nested' ) THEN
1022	ibc_salsa_t = 2
1023	ELSE
1024	message_string = 'unknown boundary condition: bc_salsa_t = "' // TRIM( bc_salsa_t ) // '"'
1025	CALL message( 'salsa_check_parameters', 'PA0596', 1, 2, 0, 6, 0 )
1026	ENDIF
1027
1028	IF ( nj3 < 1 .OR. nj3 > 3 ) THEN
1029	message_string = 'unknown nj3 (must be 1-3)'
1030	CALL message( 'salsa_check_parameters', 'PA0597', 1, 2, 0, 6, 0 )
1031	ENDIF
1032
1033	IF ( salsa_emission_mode /= 'no_emission' .AND. ibc_salsa_b == 0 ) THEN
1034	message_string = 'salsa_emission_mode /= "no_emission" requires bc_salsa_b = "Neumann"'
1035	CALL message( 'salsa_check_parameters','PA0598', 1, 2, 0, 6, 0 )
1036	ENDIF
1037
1038	IF ( salsa_emission_mode /= 'no_emission' ) include_emission = .TRUE.
1039
1040	END SUBROUTINE salsa_check_parameters
1041
1042	!------------------------------------------------------------------------------!
1043	!
1044	! Description:
1045	! ------------
1046	!> Subroutine defining appropriate grid for netcdf variables.
1047	!> It is called out from subroutine netcdf.
1048	!> Same grid as for other scalars (see netcdf_interface_mod.f90)
1049	!------------------------------------------------------------------------------!
1050	SUBROUTINE salsa_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
1051
1052	IMPLICIT NONE
1053
1054	CHARACTER(LEN=*), INTENT(OUT) :: grid_x !<
1055	CHARACTER(LEN=*), INTENT(OUT) :: grid_y !<
1056	CHARACTER(LEN=*), INTENT(OUT) :: grid_z !<
1057	CHARACTER(LEN=*), INTENT(IN) :: var !<
1058
1059	LOGICAL, INTENT(OUT) :: found !<
1060
1061	found = .TRUE.
1062	!
1063	!-- Check for the grid
1064
1065	IF ( var(1:6) == 'salsa_' ) THEN ! same grid for all salsa output variables
1066	grid_x = 'x'
1067	grid_y = 'y'
1068	grid_z = 'zu'
1069	ELSE
1070	found = .FALSE.
1071	grid_x = 'none'
1072	grid_y = 'none'
1073	grid_z = 'none'
1074	ENDIF
1075
1076	END SUBROUTINE salsa_define_netcdf_grid
1077
1078	!------------------------------------------------------------------------------!
1079	! Description:
1080	! ------------
1081	!> Header output for new module
1082	!------------------------------------------------------------------------------!
1083	SUBROUTINE salsa_header( io )
1084
1085	USE indices, &
1086	ONLY: nx, ny, nz
1087
1088	IMPLICIT NONE
1089
1090	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
1091	!
1092	!-- Write SALSA header
1093	WRITE( io, 1 )
1094	WRITE( io, 2 ) skip_time_do_salsa
1095	WRITE( io, 3 ) dt_salsa
1096	WRITE( io, 4 ) nz, ny, nx, nbins_aerosol
1097	IF ( advect_particle_water ) THEN
1098	WRITE( io, 5 ) nz, ny, nx, ncomponents_mass*nbins_aerosol, advect_particle_water
1099	ELSE
1100	WRITE( io, 5 ) nz, ny, nx, ncc*nbins_aerosol, advect_particle_water
1101	ENDIF
1102	IF ( .NOT. salsa_gases_from_chem ) THEN
1103	WRITE( io, 6 ) nz, ny, nx, ngases_salsa, salsa_gases_from_chem
1104	ENDIF
1105	WRITE( io, 7 )
1106	IF ( nsnucl > 0 ) WRITE( io, 8 ) nsnucl, nj3
1107	IF ( nlcoag ) WRITE( io, 9 )
1108	IF ( nlcnd ) WRITE( io, 10 ) nlcndgas, nlcndh2oae
1109	IF ( lspartition ) WRITE( io, 11 )
1110	IF ( nldepo ) WRITE( io, 12 ) nldepo_pcm, nldepo_surf
1111	WRITE( io, 13 ) reglim, nbin, bin_low_limits
1112	IF ( init_aerosol_type == 0 ) WRITE( io, 14 ) nsect
1113	WRITE( io, 15 ) ncc, listspec, mass_fracs_a, mass_fracs_b
1114	IF ( .NOT. salsa_gases_from_chem ) THEN
1115	WRITE( io, 16 ) ngases_salsa, h2so4_init, hno3_init, nh3_init, ocnv_init, ocsv_init
1116	ENDIF
1117	WRITE( io, 17 ) init_aerosol_type, init_gases_type
1118	IF ( init_aerosol_type == 0 ) THEN
1119	WRITE( io, 18 ) dpg, sigmag, n_lognorm
1120	ELSE
1121	WRITE( io, 19 )
1122	ENDIF
1123	IF ( nest_salsa ) WRITE( io, 20 ) nest_salsa
1124	WRITE( io, 21 ) salsa_emission_mode
1125	IF ( salsa_emission_mode == 'uniform' ) THEN
1126	WRITE( io, 22 ) surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
1127	aerosol_flux_mass_fracs_a
1128	ENDIF
1129	IF ( SUM( aerosol_flux_mass_fracs_b ) > 0.0_wp .OR. salsa_emission_mode == 'read_from_file' ) &
1130	THEN
1131	WRITE( io, 23 )
1132	ENDIF
1133
1134	1 FORMAT (//' SALSA information:'/ &
1135	' ------------------------------'/)
1136	2 FORMAT (' Starts at: skip_time_do_salsa = ', F10.2, ' s')
1137	3 FORMAT (/' Timestep: dt_salsa = ', F6.2, ' s')
1138	4 FORMAT (/' Array shape (z,y,x,bins):'/ &
1139	' aerosol_number: ', 4(I3))
1140	5 FORMAT (/' aerosol_mass: ', 4(I3),/ &
1141	' (advect_particle_water = ', L1, ')')
1142	6 FORMAT (' salsa_gas: ', 4(I3),/ &
1143	' (salsa_gases_from_chem = ', L1, ')')
1144	7 FORMAT (/' Aerosol dynamic processes included: ')
1145	8 FORMAT (/' nucleation (scheme = ', I1, ' and J3 parametrization = ', I1, ')')
1146	9 FORMAT (/' coagulation')
1147	10 FORMAT (/' condensation (of precursor gases = ', L1, ' and water vapour = ', L1, ')' )
1148	11 FORMAT (/' dissolutional growth by HNO3 and NH3')
1149	12 FORMAT (/' dry deposition (on vegetation = ', L1, ' and on topography = ', L1, ')')
1150	13 FORMAT (/' Aerosol bin subrange limits (in metres): ', 3(ES10.2E3), / &
1151	' Number of size bins for each aerosol subrange: ', 2I3,/ &
1152	' Aerosol bin limits (in metres): ', 9(ES10.2E3))
1153	14 FORMAT (' Initial number concentration in bins at the lowest level (#/m**3):', 9(ES10.2E3))
1154	15 FORMAT (/' Number of chemical components used: ', I1,/ &
1155	' Species: ',7(A6),/ &
1156	' Initial relative contribution of each species to particle volume in:',/ &
1157	' a-bins: ', 7(F6.3),/ &
1158	' b-bins: ', 7(F6.3))
1159	16 FORMAT (/' Number of gaseous tracers used: ', I1,/ &
1160	' Initial gas concentrations:',/ &
1161	' H2SO4: ',ES12.4E3, ' #/m**3',/ &
1162	' HNO3: ',ES12.4E3, ' #/m**3',/ &
1163	' NH3: ',ES12.4E3, ' #/m**3',/ &
1164	' OCNV: ',ES12.4E3, ' #/m**3',/ &
1165	' OCSV: ',ES12.4E3, ' #/m**3')
1166	17 FORMAT (/' Initialising concentrations: ', / &
1167	' Aerosol size distribution: init_aerosol_type = ', I1,/ &
1168	' Gas concentrations: init_gases_type = ', I1 )
1169	18 FORMAT ( ' Mode diametres: dpg(nmod) = ', 7(F7.3), ' (m)', / &
1170	' Standard deviation: sigmag(nmod) = ', 7(F7.2),/ &
1171	' Number concentration: n_lognorm(nmod) = ', 7(ES12.4E3), ' (#/m3)' )
1172	19 FORMAT (/' Size distribution read from a file.')
1173	20 FORMAT (/' Nesting for salsa variables: ', L1 )
1174	21 FORMAT (/' Emissions: salsa_emission_mode = ', A )
1175	22 FORMAT (/' surface_aerosol_flux = ', ES12.4E3, ' #/m**2/s', / &
1176	' aerosol_flux_dpg = ', 7(F7.3), ' (m)', / &
1177	' aerosol_flux_sigmag = ', 7(F7.2), / &
1178	' aerosol_mass_fracs_a = ', 7(ES12.4E3) )
1179	23 FORMAT (/' (currently all emissions are soluble!)')
1180
1181	END SUBROUTINE salsa_header
1182
1183	!------------------------------------------------------------------------------!
1184	! Description:
1185	! ------------
1186	!> Allocate SALSA arrays and define pointers if required
1187	!------------------------------------------------------------------------------!
1188	SUBROUTINE salsa_init_arrays
1189
1190	USE advec_ws, &
1191	ONLY: ws_init_flags_scalar
1192
1193	USE surface_mod, &
1194	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
1195
1196	IMPLICIT NONE
1197
1198	INTEGER(iwp) :: gases_available !< Number of available gas components in the chemistry model
1199	INTEGER(iwp) :: i !< loop index for allocating
1200	INTEGER(iwp) :: ii !< index for indexing chemical components
1201	INTEGER(iwp) :: l !< loop index for allocating: surfaces
1202	INTEGER(iwp) :: lsp !< loop index for chem species in the chemistry model
1203
1204	gases_available = 0
1205	!
1206	!-- Allocate prognostic variables (see salsa_swap_timelevel)
1207	!
1208	!-- Set derived indices:
1209	!-- (This does the same as the subroutine salsa_initialize in SALSA/UCLALES-SALSA)
1210	start_subrange_1a = 1 ! 1st index of subrange 1a
1211	start_subrange_2a = start_subrange_1a + nbin(1) ! 1st index of subrange 2a
1212	end_subrange_1a = start_subrange_2a - 1 ! last index of subrange 1a
1213	end_subrange_2a = end_subrange_1a + nbin(2) ! last index of subrange 2a
1214
1215	!
1216	!-- If the fraction of insoluble aerosols in subrange 2 is zero: do not allocate arrays for them
1217	IF ( nf2a > 0.999999_wp .AND. SUM( mass_fracs_b ) < 0.00001_wp ) THEN
1218	no_insoluble = .TRUE.
1219	start_subrange_2b = end_subrange_2a+1 ! 1st index of subrange 2b
1220	end_subrange_2b = end_subrange_2a ! last index of subrange 2b
1221	ELSE
1222	start_subrange_2b = start_subrange_2a + nbin(2) ! 1st index of subrange 2b
1223	end_subrange_2b = end_subrange_2a + nbin(2) ! last index of subrange 2b
1224	ENDIF
1225
1226	nbins_aerosol = end_subrange_2b ! total number of aerosol size bins
1227	!
1228	!-- Create index tables for different aerosol components
1229	CALL component_index_constructor( prtcl, ncc, maxspec, listspec )
1230
1231	ncomponents_mass = ncc
1232	IF ( advect_particle_water ) ncomponents_mass = ncc + 1 ! Add water
1233	!
1234	!-- Indices for chemical components used (-1 = not used)
1235	ii = 0
1236	IF ( is_used( prtcl, 'SO4' ) ) THEN
1237	index_so4 = get_index( prtcl,'SO4' )
1238	ii = ii + 1
1239	ENDIF
1240	IF ( is_used( prtcl,'OC' ) ) THEN
1241	index_oc = get_index(prtcl, 'OC')
1242	ii = ii + 1
1243	ENDIF
1244	IF ( is_used( prtcl, 'BC' ) ) THEN
1245	index_bc = get_index( prtcl, 'BC' )
1246	ii = ii + 1
1247	ENDIF
1248	IF ( is_used( prtcl, 'DU' ) ) THEN
1249	index_du = get_index( prtcl, 'DU' )
1250	ii = ii + 1
1251	ENDIF
1252	IF ( is_used( prtcl, 'SS' ) ) THEN
1253	index_ss = get_index( prtcl, 'SS' )
1254	ii = ii + 1
1255	ENDIF
1256	IF ( is_used( prtcl, 'NO' ) ) THEN
1257	index_no = get_index( prtcl, 'NO' )
1258	ii = ii + 1
1259	ENDIF
1260	IF ( is_used( prtcl, 'NH' ) ) THEN
1261	index_nh = get_index( prtcl, 'NH' )
1262	ii = ii + 1
1263	ENDIF
1264	!
1265	!-- All species must be known
1266	IF ( ii /= ncc ) THEN
1267	message_string = 'Unknown aerosol species/component(s) given in the initialization'
1268	CALL message( 'salsa_mod: salsa_init', 'PA0600', 1, 2, 0, 6, 0 )
1269	ENDIF
1270	!
1271	!-- Allocate:
1272	ALLOCATE( aero(nbins_aerosol), bc_am_t_val(nbins_aerosol*ncomponents_mass), &
1273	bc_an_t_val(nbins_aerosol), bc_gt_t_val(ngases_salsa), bin_low_limits(nbins_aerosol),&
1274	nsect(nbins_aerosol), massacc(nbins_aerosol) )
1275	ALLOCATE( k_topo_top(nysg:nyng,nxlg:nxrg) )
1276	IF ( nldepo ) ALLOCATE( sedim_vd(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1277	ALLOCATE( ra_dry(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1278	!
1279	!-- Initialise the sectional particle size distribution
1280	CALL set_sizebins
1281	!
1282	!-- Aerosol number concentration
1283	ALLOCATE( aerosol_number(nbins_aerosol) )
1284	ALLOCATE( nconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1285	nconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1286	nconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1287	nconc_1 = 0.0_wp
1288	nconc_2 = 0.0_wp
1289	nconc_3 = 0.0_wp
1290
1291	DO i = 1, nbins_aerosol
1292	aerosol_number(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,i)
1293	aerosol_number(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,i)
1294	aerosol_number(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_3(:,:,:,i)
1295	ALLOCATE( aerosol_number(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1296	aerosol_number(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1297	aerosol_number(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1298	aerosol_number(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1299	aerosol_number(i)%init(nzb:nzt+1), &
1300	aerosol_number(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1301	aerosol_number(i)%init = nclim
1302	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1303	ALLOCATE( aerosol_number(i)%source(nys:nyn,nxl:nxr) )
1304	aerosol_number(i)%source = 0.0_wp
1305	ENDIF
1306	ENDDO
1307
1308	!
1309	!-- Aerosol mass concentration
1310	ALLOCATE( aerosol_mass(ncomponents_mass*nbins_aerosol) )
1311	ALLOCATE( mconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1312	mconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1313	mconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol) )
1314	mconc_1 = 0.0_wp
1315	mconc_2 = 0.0_wp
1316	mconc_3 = 0.0_wp
1317
1318	DO i = 1, ncomponents_mass*nbins_aerosol
1319	aerosol_mass(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,i)
1320	aerosol_mass(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,i)
1321	aerosol_mass(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_3(:,:,:,i)
1322	ALLOCATE( aerosol_mass(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1323	aerosol_mass(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1324	aerosol_mass(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1325	aerosol_mass(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1326	aerosol_mass(i)%init(nzb:nzt+1), &
1327	aerosol_mass(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1328	aerosol_mass(i)%init = mclim
1329	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1330	ALLOCATE( aerosol_mass(i)%source(nys:nyn,nxl:nxr) )
1331	aerosol_mass(i)%source = 0.0_wp
1332	ENDIF
1333	ENDDO
1334
1335	!
1336	!-- Surface fluxes: answs = aerosol number, amsws = aerosol mass
1337	!
1338	!-- Horizontal surfaces: default type
1339	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1340	ALLOCATE( surf_def_h(l)%answs( 1:surf_def_h(l)%ns, nbins_aerosol ) )
1341	ALLOCATE( surf_def_h(l)%amsws( 1:surf_def_h(l)%ns, nbins_aerosol*ncomponents_mass ) )
1342	surf_def_h(l)%answs = 0.0_wp
1343	surf_def_h(l)%amsws = 0.0_wp
1344	ENDDO
1345	!
1346	!-- Horizontal surfaces: natural type
1347	ALLOCATE( surf_lsm_h%answs( 1:surf_lsm_h%ns, nbins_aerosol ) )
1348	ALLOCATE( surf_lsm_h%amsws( 1:surf_lsm_h%ns, nbins_aerosol*ncomponents_mass ) )
1349	surf_lsm_h%answs = 0.0_wp
1350	surf_lsm_h%amsws = 0.0_wp
1351	!
1352	!-- Horizontal surfaces: urban type
1353	ALLOCATE( surf_usm_h%answs( 1:surf_usm_h%ns, nbins_aerosol ) )
1354	ALLOCATE( surf_usm_h%amsws( 1:surf_usm_h%ns, nbins_aerosol*ncomponents_mass ) )
1355	surf_usm_h%answs = 0.0_wp
1356	surf_usm_h%amsws = 0.0_wp
1357
1358	!
1359	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and westward (l=3) facing
1360	DO l = 0, 3
1361	ALLOCATE( surf_def_v(l)%answs( 1:surf_def_v(l)%ns, nbins_aerosol ) )
1362	surf_def_v(l)%answs = 0.0_wp
1363	ALLOCATE( surf_def_v(l)%amsws( 1:surf_def_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1364	surf_def_v(l)%amsws = 0.0_wp
1365
1366	ALLOCATE( surf_lsm_v(l)%answs( 1:surf_lsm_v(l)%ns, nbins_aerosol ) )
1367	surf_lsm_v(l)%answs = 0.0_wp
1368	ALLOCATE( surf_lsm_v(l)%amsws( 1:surf_lsm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1369	surf_lsm_v(l)%amsws = 0.0_wp
1370
1371	ALLOCATE( surf_usm_v(l)%answs( 1:surf_usm_v(l)%ns, nbins_aerosol ) )
1372	surf_usm_v(l)%answs = 0.0_wp
1373	ALLOCATE( surf_usm_v(l)%amsws( 1:surf_usm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1374	surf_usm_v(l)%amsws = 0.0_wp
1375
1376	ENDDO
1377
1378	!
1379	!-- Concentration of gaseous tracers (1. SO4, 2. HNO3, 3. NH3, 4. OCNV, 5. OCSV)
1380	!-- (number concentration (#/m3) )
1381	!
1382	!-- If chemistry is on, read gas phase concentrations from there. Otherwise,
1383	!-- allocate salsa_gas array.
1384
1385	IF ( air_chemistry ) THEN
1386	DO lsp = 1, nvar
1387	SELECT CASE ( TRIM( chem_species(lsp)%name ) )
1388	CASE ( 'H2SO4', 'h2so4' )
1389	gases_available = gases_available + 1
1390	gas_index_chem(1) = lsp
1391	CASE ( 'HNO3', 'hno3' )
1392	gases_available = gases_available + 1
1393	gas_index_chem(2) = lsp
1394	CASE ( 'NH3', 'nh3' )
1395	gases_available = gases_available + 1
1396	gas_index_chem(3) = lsp
1397	CASE ( 'OCNV', 'ocnv' )
1398	gases_available = gases_available + 1
1399	gas_index_chem(4) = lsp
1400	CASE ( 'OCSV', 'ocsv' )
1401	gases_available = gases_available + 1
1402	gas_index_chem(5) = lsp
1403	END SELECT
1404	ENDDO
1405
1406	IF ( gases_available == ngases_salsa ) THEN
1407	salsa_gases_from_chem = .TRUE.
1408	ELSE
1409	WRITE( message_string, * ) 'SALSA is run together with chemistry but not all gaseous '// &
1410	'components are provided by kpp (H2SO4, HNO3, NH3, OCNV, OCSV)'
1411	CALL message( 'check_parameters', 'PA0599', 1, 2, 0, 6, 0 )
1412	ENDIF
1413
1414	ELSE
1415
1416	ALLOCATE( salsa_gas(ngases_salsa) )
1417	ALLOCATE( gconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1418	gconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1419	gconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa) )
1420	gconc_1 = 0.0_wp
1421	gconc_2 = 0.0_wp
1422	gconc_3 = 0.0_wp
1423
1424	DO i = 1, ngases_salsa
1425	salsa_gas(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,i)
1426	salsa_gas(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,i)
1427	salsa_gas(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_3(:,:,:,i)
1428	ALLOCATE( salsa_gas(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1429	salsa_gas(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1430	salsa_gas(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1431	salsa_gas(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1432	salsa_gas(i)%init(nzb:nzt+1), &
1433	salsa_gas(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1434	salsa_gas(i)%init = nclim
1435	IF ( include_emission ) THEN
1436	ALLOCATE( salsa_gas(i)%source(nys:nys,nxl:nxr) )
1437	salsa_gas(i)%source = 0.0_wp
1438	ENDIF
1439	ENDDO
1440	!
1441	!-- Surface fluxes: gtsws = gaseous tracer flux
1442	!
1443	!-- Horizontal surfaces: default type
1444	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1445	ALLOCATE( surf_def_h(l)%gtsws( 1:surf_def_h(l)%ns, ngases_salsa ) )
1446	surf_def_h(l)%gtsws = 0.0_wp
1447	ENDDO
1448	!-- Horizontal surfaces: natural type
1449	ALLOCATE( surf_lsm_h%gtsws( 1:surf_lsm_h%ns, ngases_salsa ) )
1450	surf_lsm_h%gtsws = 0.0_wp
1451	!-- Horizontal surfaces: urban type
1452	ALLOCATE( surf_usm_h%gtsws( 1:surf_usm_h%ns, ngases_salsa ) )
1453	surf_usm_h%gtsws = 0.0_wp
1454	!
1455	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and
1456	!-- westward (l=3) facing
1457	DO l = 0, 3
1458	ALLOCATE( surf_def_v(l)%gtsws( 1:surf_def_v(l)%ns, ngases_salsa ) )
1459	surf_def_v(l)%gtsws = 0.0_wp
1460	ALLOCATE( surf_lsm_v(l)%gtsws( 1:surf_lsm_v(l)%ns, ngases_salsa ) )
1461	surf_lsm_v(l)%gtsws = 0.0_wp
1462	ALLOCATE( surf_usm_v(l)%gtsws( 1:surf_usm_v(l)%ns, ngases_salsa ) )
1463	surf_usm_v(l)%gtsws = 0.0_wp
1464	ENDDO
1465	ENDIF
1466
1467	IF ( ws_scheme_sca ) THEN
1468
1469	IF ( salsa ) THEN
1470	ALLOCATE( sums_salsa_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1471	sums_salsa_ws_l = 0.0_wp
1472	ENDIF
1473
1474	ENDIF
1475	!
1476	!-- Set control flags for decycling only at lateral boundary cores. Within the inner cores the
1477	!-- decycle flag is set to .FALSE.. Even though it does not affect the setting of chemistry boundary
1478	!-- conditions, this flag is used to set advection control flags appropriately.
1479	decycle_salsa_lr = MERGE( decycle_salsa_lr, .FALSE., nxl == 0 .OR. nxr == nx )
1480	decycle_salsa_ns = MERGE( decycle_salsa_ns, .FALSE., nys == 0 .OR. nyn == ny )
1481	!
1482	!-- Decycling can be applied separately for aerosol variables, while wind and other scalars may have
1483	!-- cyclic or nested boundary conditions. However, large gradients near the boundaries may produce
1484	!-- stationary numerical oscillations near the lateral boundaries when a higher-order scheme is
1485	!-- applied near these boundaries. To get rid-off this, set-up additional flags that control the
1486	!-- order of the scalar advection scheme near the lateral boundaries for passive scalars with
1487	!-- decycling.
1488	IF ( scalar_advec == 'ws-scheme' ) THEN
1489	ALLOCATE( salsa_advc_flags_s(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
1490	!
1491	!-- In case of decycling, set Neuman boundary conditions for wall_flags_0 bit 31 instead of
1492	!-- cyclic boundary conditions. Bit 31 is used to identify extended degradation zones (please see
1493	!-- the following comment). Note, since several also other modules may access this bit but may
1494	!-- have other boundary conditions, the original value of wall_flags_0 bit 31 must not be
1495	!-- modified. Hence, store the boundary conditions directly on salsa_advc_flags_s.
1496	!-- salsa_advc_flags_s will be later overwritten in ws_init_flags_scalar and bit 31 won't be used
1497	!-- to control the numerical order.
1498	!-- Initialize with flag 31 only.
1499	salsa_advc_flags_s = 0
1500	salsa_advc_flags_s = MERGE( IBSET( salsa_advc_flags_s, 31 ), 0, BTEST( wall_flags_0, 31 ) )
1501
1502	IF ( decycle_salsa_ns ) THEN
1503	IF ( nys == 0 ) THEN
1504	DO i = 1, nbgp
1505	salsa_advc_flags_s(:,nys-i,:) = MERGE( IBSET( salsa_advc_flags_s(:,nys,:), 31 ), &
1506	IBCLR( salsa_advc_flags_s(:,nys,:), 31 ), &
1507	BTEST( salsa_advc_flags_s(:,nys,:), 31 ) )
1508	ENDDO
1509	ENDIF
1510	IF ( nyn == ny ) THEN
1511	DO i = 1, nbgp
1512	salsa_advc_flags_s(:,nyn+i,:) = MERGE( IBSET( salsa_advc_flags_s(:,nyn,:), 31 ), &
1513	IBCLR( salsa_advc_flags_s(:,nyn,:), 31 ), &
1514	BTEST( salsa_advc_flags_s(:,nyn,:), 31 ) )
1515	ENDDO
1516	ENDIF
1517	ENDIF
1518	IF ( decycle_salsa_lr ) THEN
1519	IF ( nxl == 0 ) THEN
1520	DO i = 1, nbgp
1521	salsa_advc_flags_s(:,:,nxl-i) = MERGE( IBSET( salsa_advc_flags_s(:,:,nxl), 31 ), &
1522	IBCLR( salsa_advc_flags_s(:,:,nxl), 31 ), &
1523	BTEST( salsa_advc_flags_s(:,:,nxl), 31 ) )
1524	ENDDO
1525	ENDIF
1526	IF ( nxr == nx ) THEN
1527	DO i = 1, nbgp
1528	salsa_advc_flags_s(:,:,nxr+i) = MERGE( IBSET( salsa_advc_flags_s(:,:,nxr), 31 ), &
1529	IBCLR( salsa_advc_flags_s(:,:,nxr), 31 ), &
1530	BTEST( salsa_advc_flags_s(:,:,nxr), 31 ) )
1531	ENDDO
1532	ENDIF
1533	ENDIF
1534	!
1535	!-- To initialise the advection flags appropriately, pass the boundary flags to
1536	!-- ws_init_flags_scalar. The last argument in ws_init_flags_scalar indicates that a passive
1537	!-- scalar is being treated and the horizontal advection terms are degraded already 2 grid points
1538	!-- before the lateral boundary. Also, extended degradation zones are applied, where
1539	!-- horizontal advection of scalars is discretised by the first-order scheme at all grid points
1540	!-- in the vicinity of buildings (<= 3 grid points). Even though no building is within the
1541	!-- numerical stencil, the first-order scheme is used. At fourth and fifth grid points, the order
1542	!-- of the horizontal advection scheme is successively upgraded.
1543	!-- These degradations of the advection scheme are done to avoid stationary numerical
1544	!-- oscillations, which are responsible for high concentration maxima that may appear e.g. under
1545	!-- shear-free stable conditions.
1546	CALL ws_init_flags_scalar( bc_dirichlet_l .OR. bc_radiation_l .OR. decycle_salsa_lr, &
1547	bc_dirichlet_n .OR. bc_radiation_n .OR. decycle_salsa_ns, &
1548	bc_dirichlet_r .OR. bc_radiation_r .OR. decycle_salsa_lr, &
1549	bc_dirichlet_s .OR. bc_radiation_s .OR. decycle_salsa_ns, &
1550	salsa_advc_flags_s, .TRUE. )
1551	ENDIF
1552
1553
1554	END SUBROUTINE salsa_init_arrays
1555
1556	!------------------------------------------------------------------------------!
1557	! Description:
1558	! ------------
1559	!> Initialization of SALSA. Based on salsa_initialize in UCLALES-SALSA.
1560	!> Subroutines salsa_initialize, SALSAinit and DiagInitAero in UCLALES-SALSA are
1561	!> also merged here.
1562	!------------------------------------------------------------------------------!
1563	SUBROUTINE salsa_init
1564
1565	IMPLICIT NONE
1566
1567	INTEGER(iwp) :: i !<
1568	INTEGER(iwp) :: ib !< loop index for aerosol number bins
1569	INTEGER(iwp) :: ic !< loop index for aerosol mass bins
1570	INTEGER(iwp) :: ig !< loop index for gases
1571	INTEGER(iwp) :: j !<
1572
1573	IF ( debug_output ) CALL debug_message( 'salsa_init', 'start' )
1574
1575	bin_low_limits = 0.0_wp
1576	k_topo_top = 0
1577	nsect = 0.0_wp
1578	massacc = 1.0_wp
1579	!
1580	!-- Initialise
1581	IF ( nldepo ) sedim_vd = 0.0_wp
1582
1583	IF ( .NOT. salsa_gases_from_chem ) THEN
1584	IF ( .NOT. read_restart_data_salsa ) THEN
1585	salsa_gas(1)%conc = h2so4_init
1586	salsa_gas(2)%conc = hno3_init
1587	salsa_gas(3)%conc = nh3_init
1588	salsa_gas(4)%conc = ocnv_init
1589	salsa_gas(5)%conc = ocsv_init
1590	ENDIF
1591	DO ig = 1, ngases_salsa
1592	salsa_gas(ig)%conc_p = 0.0_wp
1593	salsa_gas(ig)%tconc_m = 0.0_wp
1594	salsa_gas(ig)%flux_s = 0.0_wp
1595	salsa_gas(ig)%diss_s = 0.0_wp
1596	salsa_gas(ig)%flux_l = 0.0_wp
1597	salsa_gas(ig)%diss_l = 0.0_wp
1598	salsa_gas(ig)%sums_ws_l = 0.0_wp
1599	salsa_gas(ig)%conc_p = salsa_gas(ig)%conc
1600	ENDDO
1601	!
1602	!-- Set initial value for gas compound tracer
1603	salsa_gas(1)%init = h2so4_init
1604	salsa_gas(2)%init = hno3_init
1605	salsa_gas(3)%init = nh3_init
1606	salsa_gas(4)%init = ocnv_init
1607	salsa_gas(5)%init = ocsv_init
1608	ENDIF
1609	!
1610	!-- Aerosol radius in each bin: dry and wet (m)
1611	ra_dry = 1.0E-10_wp
1612	!
1613	!-- Initialise location-dependent aerosol size distributions and chemical compositions:
1614	CALL aerosol_init
1615
1616	!-- Initalisation run of SALSA + calculate the vertical top index of the topography
1617	DO i = nxl, nxr
1618	DO j = nys, nyn
1619
1620	k_topo_top(j,i) = MAXLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,j,i), 12 ) ), DIM = 1 ) - 1
1621
1622	CALL salsa_driver( i, j, 1 )
1623	CALL salsa_diagnostics( i, j )
1624	ENDDO
1625	ENDDO
1626
1627	DO ib = 1, nbins_aerosol
1628	aerosol_number(ib)%conc_p = aerosol_number(ib)%conc
1629	aerosol_number(ib)%tconc_m = 0.0_wp
1630	aerosol_number(ib)%flux_s = 0.0_wp
1631	aerosol_number(ib)%diss_s = 0.0_wp
1632	aerosol_number(ib)%flux_l = 0.0_wp
1633	aerosol_number(ib)%diss_l = 0.0_wp
1634	aerosol_number(ib)%sums_ws_l = 0.0_wp
1635	ENDDO
1636	DO ic = 1, ncomponents_mass*nbins_aerosol
1637	aerosol_mass(ic)%conc_p = aerosol_mass(ic)%conc
1638	aerosol_mass(ic)%tconc_m = 0.0_wp
1639	aerosol_mass(ic)%flux_s = 0.0_wp
1640	aerosol_mass(ic)%diss_s = 0.0_wp
1641	aerosol_mass(ic)%flux_l = 0.0_wp
1642	aerosol_mass(ic)%diss_l = 0.0_wp
1643	aerosol_mass(ic)%sums_ws_l = 0.0_wp
1644	ENDDO
1645	!
1646	!
1647	!-- Initialise the deposition scheme and surface types
1648	IF ( nldepo ) CALL init_deposition
1649
1650	IF ( include_emission ) THEN
1651	!
1652	!-- Read in and initialize emissions
1653	CALL salsa_emission_setup( .TRUE. )
1654	IF ( .NOT. salsa_gases_from_chem .AND. salsa_emission_mode == 'read_from_file' ) THEN
1655	CALL salsa_gas_emission_setup( .TRUE. )
1656	ENDIF
1657	ENDIF
1658	!
1659	!-- Partition and dissolutional growth by gaseous HNO3 and NH3
1660	IF ( index_no > 0 .AND. index_nh > 0 .AND. index_so4 > 0 ) lspartition = .TRUE.
1661
1662	IF ( debug_output ) CALL debug_message( 'salsa_init', 'end' )
1663
1664	END SUBROUTINE salsa_init
1665
1666	!------------------------------------------------------------------------------!
1667	! Description:
1668	! ------------
1669	!> Initializes particle size distribution grid by calculating size bin limits
1670	!> and mid-size for dry particles in each bin. Called from salsa_initialize
1671	!> (only at the beginning of simulation).
1672	!> Size distribution described using:
1673	!> 1) moving center method (subranges 1 and 2)
1674	!> (Jacobson, Atmos. Env., 31, 131-144, 1997)
1675	!> 2) fixed sectional method (subrange 3)
1676	!> Size bins in each subrange are spaced logarithmically
1677	!> based on given subrange size limits and bin number.
1678	!
1679	!> Mona changed 06/2017: Use geometric mean diameter to describe the mean
1680	!> particle diameter in a size bin, not the arithmeric mean which clearly
1681	!> overestimates the total particle volume concentration.
1682	!
1683	!> Coded by:
1684	!> Hannele Korhonen (FMI) 2005
1685	!> Harri Kokkola (FMI) 2006
1686	!
1687	!> Bug fixes for box model + updated for the new aerosol datatype:
1688	!> Juha Tonttila (FMI) 2014
1689	!------------------------------------------------------------------------------!
1690	SUBROUTINE set_sizebins
1691
1692	IMPLICIT NONE
1693
1694	INTEGER(iwp) :: cc !< running index
1695	INTEGER(iwp) :: dd !< running index
1696
1697	REAL(wp) :: ratio_d !< ratio of the upper and lower diameter of subranges
1698
1699	aero(:)%dwet = 1.0E-10_wp
1700	aero(:)%veqh2o = 1.0E-10_wp
1701	aero(:)%numc = nclim
1702	aero(:)%core = 1.0E-10_wp
1703	DO cc = 1, maxspec+1 ! 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
1704	aero(:)%volc(cc) = 0.0_wp
1705	ENDDO
1706	!
1707	!-- vlolim&vhilim: min & max dry volumes [fxm]
1708	!-- dmid: bin mid dry diameter (m)
1709	!-- vratiolo&vratiohi: volume ratio between the center and low/high limit
1710	!
1711	!-- 1) Size subrange 1:
1712	ratio_d = reglim(2) / reglim(1) ! section spacing (m)
1713	DO cc = start_subrange_1a, end_subrange_1a
1714	aero(cc)%vlolim = api6 * ( reglim(1) * ratio_d( REAL( cc-1 ) / nbin(1) ) )3
1715	aero(cc)%vhilim = api6 * ( reglim(1) * ratio_d( REAL( cc ) / nbin(1) ) )3
1716	aero(cc)%dmid = SQRT( ( aero(cc)%vhilim / api6 )*0.33333333_wp &
1717	( aero(cc)%vlolim / api6 )**0.33333333_wp )
1718	aero(cc)%vratiohi = aero(cc)%vhilim / ( api6 * aero(cc)%dmid**3 )
1719	aero(cc)%vratiolo = aero(cc)%vlolim / ( api6 * aero(cc)%dmid**3 )
1720	ENDDO
1721	!
1722	!-- 2) Size subrange 2:
1723	!-- 2.1) Sub-subrange 2a: high hygroscopicity
1724	ratio_d = reglim(3) / reglim(2) ! section spacing
1725	DO dd = start_subrange_2a, end_subrange_2a
1726	cc = dd - start_subrange_2a
1727	aero(dd)%vlolim = api6 * ( reglim(2) * ratio_d( REAL( cc ) / nbin(2) ) )3
1728	aero(dd)%vhilim = api6 * ( reglim(2) * ratio_d( REAL( cc+1 ) / nbin(2) ) )3
1729	aero(dd)%dmid = SQRT( ( aero(dd)%vhilim / api6 )*0.33333333_wp &
1730	( aero(dd)%vlolim / api6 )**0.33333333_wp )
1731	aero(dd)%vratiohi = aero(dd)%vhilim / ( api6 * aero(dd)%dmid**3 )
1732	aero(dd)%vratiolo = aero(dd)%vlolim / ( api6 * aero(dd)%dmid**3 )
1733	ENDDO
1734	!
1735	!-- 2.2) Sub-subrange 2b: low hygroscopicity
1736	IF ( .NOT. no_insoluble ) THEN
1737	aero(start_subrange_2b:end_subrange_2b)%vlolim = aero(start_subrange_2a:end_subrange_2a)%vlolim
1738	aero(start_subrange_2b:end_subrange_2b)%vhilim = aero(start_subrange_2a:end_subrange_2a)%vhilim
1739	aero(start_subrange_2b:end_subrange_2b)%dmid = aero(start_subrange_2a:end_subrange_2a)%dmid
1740	aero(start_subrange_2b:end_subrange_2b)%vratiohi = aero(start_subrange_2a:end_subrange_2a)%vratiohi
1741	aero(start_subrange_2b:end_subrange_2b)%vratiolo = aero(start_subrange_2a:end_subrange_2a)%vratiolo
1742	ENDIF
1743	!
1744	!-- Initialize the wet diameter with the bin dry diameter to avoid numerical problems later
1745	aero(:)%dwet = aero(:)%dmid
1746	!
1747	!-- Save bin limits (lower diameter) to be delivered to PALM if needed
1748	DO cc = 1, nbins_aerosol
1749	bin_low_limits(cc) = ( aero(cc)%vlolim / api6 )**0.33333333_wp
1750	ENDDO
1751
1752	END SUBROUTINE set_sizebins
1753
1754	!------------------------------------------------------------------------------!
1755	! Description:
1756	! ------------
1757	!> Initilize altitude-dependent aerosol size distributions and compositions.
1758	!>
1759	!> Mona added 06/2017: Correct the number and mass concentrations by normalizing
1760	!< by the given total number and mass concentration.
1761	!>
1762	!> Tomi Raatikainen, FMI, 29.2.2016
1763	!------------------------------------------------------------------------------!
1764	SUBROUTINE aerosol_init
1765
1766	USE netcdf_data_input_mod, &
1767	ONLY: check_existence, close_input_file, get_dimension_length, &
1768	get_attribute, get_variable, &
1769	inquire_num_variables, inquire_variable_names, &
1770	open_read_file
1771
1772	IMPLICIT NONE
1773
1774	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
1775	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names
1776
1777	INTEGER(iwp) :: ee !< index: end
1778	INTEGER(iwp) :: i !< loop index: x-direction
1779	INTEGER(iwp) :: ib !< loop index: size bins
1780	INTEGER(iwp) :: ic !< loop index: chemical components
1781	INTEGER(iwp) :: id_dyn !< NetCDF id of PIDS_DYNAMIC_SALSA
1782	INTEGER(iwp) :: ig !< loop index: gases
1783	INTEGER(iwp) :: j !< loop index: y-direction
1784	INTEGER(iwp) :: k !< loop index: z-direction
1785	INTEGER(iwp) :: lod_aero !< level of detail of inital aerosol concentrations
1786	INTEGER(iwp) :: num_vars !< number of variables
1787	INTEGER(iwp) :: pr_nbins !< number of aerosol size bins in file
1788	INTEGER(iwp) :: pr_ncc !< number of aerosol chemical components in file
1789	INTEGER(iwp) :: pr_nz !< number of vertical grid-points in file
1790	INTEGER(iwp) :: prunmode !< running mode of SALSA
1791	INTEGER(iwp) :: ss !< index: start
1792
1793	INTEGER(iwp), DIMENSION(maxspec) :: cc_in2mod
1794
1795	LOGICAL :: netcdf_extend = .FALSE. !< Flag: netcdf file exists
1796
1797	REAL(wp) :: flag !< flag to mask topography grid points
1798
1799	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
1800
1801	REAL(wp), DIMENSION(0:nz+1) :: pnf2a !< number fraction in 2a
1802	REAL(wp), DIMENSION(0:nz+1) :: pmfoc1a !< mass fraction of OC in 1a
1803
1804	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol) :: pndist !< vertical profile of size dist. (#/m3)
1805	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2a !< mass distributions in subrange 2a
1806	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2b !< mass distributions in subrange 2b
1807
1808	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_dmid !< vertical profile of aerosol bin diameters
1809	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_z !< z levels of profiles
1810
1811	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_a !< mass fraction: a
1812	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_b !< and b
1813
1814	cc_in2mod = 0
1815	prunmode = 1
1816	!
1817	!-- Bin mean aerosol particle volume (m3)
1818	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
1819	!
1820	!-- Set concentrations to zero
1821	pndist(:,:) = 0.0_wp
1822	pnf2a(:) = nf2a
1823	pmf2a(:,:) = 0.0_wp
1824	pmf2b(:,:) = 0.0_wp
1825	pmfoc1a(:) = 0.0_wp
1826
1827	IF ( init_aerosol_type == 1 ) THEN
1828	!
1829	!-- Read input profiles from PIDS_DYNAMIC_SALSA
1830	#if defined( __netcdf )
1831	!
1832	!-- Location-dependent size distributions and compositions.
1833	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1834	IF ( netcdf_extend ) THEN
1835	!
1836	!-- Open file in read-only mode
1837	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
1838	!
1839	!-- At first, inquire all variable names
1840	CALL inquire_num_variables( id_dyn, num_vars )
1841	!
1842	!-- Allocate memory to store variable names
1843	ALLOCATE( var_names(1:num_vars) )
1844	CALL inquire_variable_names( id_dyn, var_names )
1845	!
1846	!-- Inquire vertical dimension and number of aerosol chemical components
1847	CALL get_dimension_length( id_dyn, pr_nz, 'z' )
1848	IF ( pr_nz /= nz ) THEN
1849	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
1850	'the number of numeric grid points.'
1851	CALL message( 'aerosol_init', 'PA0601', 1, 2, 0, 6, 0 )
1852	ENDIF
1853	CALL get_dimension_length( id_dyn, pr_ncc, 'composition_index' )
1854	!
1855	!-- Allocate memory
1856	ALLOCATE( pr_z(1:pr_nz), pr_mass_fracs_a(nzb:nzt+1,pr_ncc), &
1857	pr_mass_fracs_b(nzb:nzt+1,pr_ncc) )
1858	pr_mass_fracs_a = 0.0_wp
1859	pr_mass_fracs_b = 0.0_wp
1860	!
1861	!-- Read vertical levels
1862	CALL get_variable( id_dyn, 'z', pr_z )
1863	!
1864	!-- Read the names of chemical components
1865	IF ( check_existence( var_names, 'composition_name' ) ) THEN
1866	CALL get_variable( id_dyn, 'composition_name', cc_name, pr_ncc )
1867	ELSE
1868	WRITE( message_string, * ) 'Missing composition_name in ' // TRIM( input_file_dynamic )
1869	CALL message( 'aerosol_init', 'PA0655', 1, 2, 0, 6, 0 )
1870	ENDIF
1871	!
1872	!-- Define the index of each chemical component in the model
1873	DO ic = 1, pr_ncc
1874	SELECT CASE ( TRIM( cc_name(ic) ) )
1875	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
1876	cc_in2mod(1) = ic
1877	CASE ( 'OC', 'oc' )
1878	cc_in2mod(2) = ic
1879	CASE ( 'BC', 'bc' )
1880	cc_in2mod(3) = ic
1881	CASE ( 'DU', 'du' )
1882	cc_in2mod(4) = ic
1883	CASE ( 'SS', 'ss' )
1884	cc_in2mod(5) = ic
1885	CASE ( 'HNO3', 'hno3', 'NO3', 'no3', 'NO', 'no' )
1886	cc_in2mod(6) = ic
1887	CASE ( 'NH3', 'nh3', 'NH4', 'nh4', 'NH', 'nh' )
1888	cc_in2mod(7) = ic
1889	END SELECT
1890	ENDDO
1891
1892	IF ( SUM( cc_in2mod ) == 0 ) THEN
1893	message_string = 'None of the aerosol chemical components in ' // TRIM( &
1894	input_file_dynamic ) // ' correspond to ones applied in SALSA.'
1895	CALL message( 'salsa_mod: aerosol_init', 'PA0602', 2, 2, 0, 6, 0 )
1896	ENDIF
1897	!
1898	!-- Vertical profiles of mass fractions of different chemical components:
1899	IF ( check_existence( var_names, 'init_atmosphere_mass_fracs_a' ) ) THEN
1900	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_a', pr_mass_fracs_a, &
1901	0, pr_ncc-1, 0, pr_nz-1 )
1902	ELSE
1903	WRITE( message_string, * ) 'Missing init_atmosphere_mass_fracs_a in ' // &
1904	TRIM( input_file_dynamic )
1905	CALL message( 'aerosol_init', 'PA0656', 1, 2, 0, 6, 0 )
1906	ENDIF
1907	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_b', pr_mass_fracs_b, &
1908	0, pr_ncc-1, 0, pr_nz-1 )
1909	!
1910	!-- Match the input data with the chemical composition applied in the model
1911	DO ic = 1, maxspec
1912	ss = cc_in2mod(ic)
1913	IF ( ss == 0 ) CYCLE
1914	pmf2a(nzb+1:nzt+1,ic) = pr_mass_fracs_a(nzb:nzt,ss)
1915	pmf2b(nzb+1:nzt+1,ic) = pr_mass_fracs_b(nzb:nzt,ss)
1916	ENDDO
1917	!
1918	!-- Aerosol concentrations: lod=1 (vertical profile of sectional number size distribution)
1919	CALL get_attribute( id_dyn, 'lod', lod_aero, .FALSE., 'init_atmosphere_aerosol' )
1920	IF ( lod_aero /= 1 ) THEN
1921	message_string = 'Currently only lod=1 accepted for init_atmosphere_aerosol'
1922	CALL message( 'salsa_mod: aerosol_init', 'PA0603', 2, 2, 0, 6, 0 )
1923	ELSE
1924	!
1925	!-- Bin mean diameters in the input file
1926	CALL get_dimension_length( id_dyn, pr_nbins, 'Dmid')
1927	IF ( pr_nbins /= nbins_aerosol ) THEN
1928	message_string = 'Number of size bins in init_atmosphere_aerosol does not match ' &
1929	// 'with that applied in the model'
1930	CALL message( 'salsa_mod: aerosol_init', 'PA0604', 2, 2, 0, 6, 0 )
1931	ENDIF
1932
1933	ALLOCATE( pr_dmid(pr_nbins) )
1934	pr_dmid = 0.0_wp
1935
1936	CALL get_variable( id_dyn, 'Dmid', pr_dmid )
1937	!
1938	!-- Check whether the sectional representation conform to the one
1939	!-- applied in the model
1940	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - pr_dmid ) / &
1941	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
1942	message_string = 'Mean diameters of the aerosol size bins in ' // TRIM( &
1943	input_file_dynamic ) // ' do not match with the sectional '// &
1944	'representation of the model.'
1945	CALL message( 'salsa_mod: aerosol_init', 'PA0605', 2, 2, 0, 6, 0 )
1946	ENDIF
1947	!
1948	!-- Inital aerosol concentrations
1949	CALL get_variable( id_dyn, 'init_atmosphere_aerosol', pndist(nzb+1:nzt,:), &
1950	0, pr_nbins-1, 0, pr_nz-1 )
1951	ENDIF
1952	!
1953	!-- Set bottom and top boundary condition (Neumann)
1954	pmf2a(nzb,:) = pmf2a(nzb+1,:)
1955	pmf2a(nzt+1,:) = pmf2a(nzt,:)
1956	pmf2b(nzb,:) = pmf2b(nzb+1,:)
1957	pmf2b(nzt+1,:) = pmf2b(nzt,:)
1958	pndist(nzb,:) = pndist(nzb+1,:)
1959	pndist(nzt+1,:) = pndist(nzt,:)
1960
1961	IF ( index_so4 < 0 ) THEN
1962	pmf2a(:,1) = 0.0_wp
1963	pmf2b(:,1) = 0.0_wp
1964	ENDIF
1965	IF ( index_oc < 0 ) THEN
1966	pmf2a(:,2) = 0.0_wp
1967	pmf2b(:,2) = 0.0_wp
1968	ENDIF
1969	IF ( index_bc < 0 ) THEN
1970	pmf2a(:,3) = 0.0_wp
1971	pmf2b(:,3) = 0.0_wp
1972	ENDIF
1973	IF ( index_du < 0 ) THEN
1974	pmf2a(:,4) = 0.0_wp
1975	pmf2b(:,4) = 0.0_wp
1976	ENDIF
1977	IF ( index_ss < 0 ) THEN
1978	pmf2a(:,5) = 0.0_wp
1979	pmf2b(:,5) = 0.0_wp
1980	ENDIF
1981	IF ( index_no < 0 ) THEN
1982	pmf2a(:,6) = 0.0_wp
1983	pmf2b(:,6) = 0.0_wp
1984	ENDIF
1985	IF ( index_nh < 0 ) THEN
1986	pmf2a(:,7) = 0.0_wp
1987	pmf2b(:,7) = 0.0_wp
1988	ENDIF
1989
1990	IF ( SUM( pmf2a ) < 0.00001_wp .AND. SUM( pmf2b ) < 0.00001_wp ) THEN
1991	message_string = 'Error in initialising mass fractions of chemical components. ' // &
1992	'Check that all chemical components are included in parameter file!'
1993	CALL message( 'salsa_mod: aerosol_init', 'PA0606', 2, 2, 0, 6, 0 )
1994	ENDIF
1995	!
1996	!-- Then normalise the mass fraction so that SUM = 1
1997	DO k = nzb, nzt+1
1998	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
1999	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
2000	ENDDO
2001
2002	DEALLOCATE( pr_z, pr_mass_fracs_a, pr_mass_fracs_b )
2003
2004	ELSE
2005	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
2006	' for SALSA missing!'
2007	CALL message( 'salsa_mod: aerosol_init', 'PA0607', 1, 2, 0, 6, 0 )
2008	!
2009	!-- Close input file
2010	CALL close_input_file( id_dyn )
2011	ENDIF ! netcdf_extend
2012
2013	#else
2014	message_string = 'init_aerosol_type = 1 but preprocessor directive __netcdf is not used '// &
2015	'in compiling!'
2016	CALL message( 'salsa_mod: aerosol_init', 'PA0608', 1, 2, 0, 6, 0 )
2017
2018	#endif
2019
2020	ELSEIF ( init_aerosol_type == 0 ) THEN
2021	!
2022	!-- Mass fractions for species in a and b-bins
2023	IF ( index_so4 > 0 ) THEN
2024	pmf2a(:,1) = mass_fracs_a(index_so4)
2025	pmf2b(:,1) = mass_fracs_b(index_so4)
2026	ENDIF
2027	IF ( index_oc > 0 ) THEN
2028	pmf2a(:,2) = mass_fracs_a(index_oc)
2029	pmf2b(:,2) = mass_fracs_b(index_oc)
2030	ENDIF
2031	IF ( index_bc > 0 ) THEN
2032	pmf2a(:,3) = mass_fracs_a(index_bc)
2033	pmf2b(:,3) = mass_fracs_b(index_bc)
2034	ENDIF
2035	IF ( index_du > 0 ) THEN
2036	pmf2a(:,4) = mass_fracs_a(index_du)
2037	pmf2b(:,4) = mass_fracs_b(index_du)
2038	ENDIF
2039	IF ( index_ss > 0 ) THEN
2040	pmf2a(:,5) = mass_fracs_a(index_ss)
2041	pmf2b(:,5) = mass_fracs_b(index_ss)
2042	ENDIF
2043	IF ( index_no > 0 ) THEN
2044	pmf2a(:,6) = mass_fracs_a(index_no)
2045	pmf2b(:,6) = mass_fracs_b(index_no)
2046	ENDIF
2047	IF ( index_nh > 0 ) THEN
2048	pmf2a(:,7) = mass_fracs_a(index_nh)
2049	pmf2b(:,7) = mass_fracs_b(index_nh)
2050	ENDIF
2051	DO k = nzb, nzt+1
2052	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
2053	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
2054	ENDDO
2055
2056	CALL size_distribution( n_lognorm, dpg, sigmag, nsect )
2057	!
2058	!-- Normalize by the given total number concentration
2059	nsect = nsect * SUM( n_lognorm ) / SUM( nsect )
2060	DO ib = start_subrange_1a, end_subrange_2b
2061	pndist(:,ib) = nsect(ib)
2062	ENDDO
2063	ENDIF
2064
2065	IF ( init_gases_type == 1 ) THEN
2066	!
2067	!-- Read input profiles from PIDS_CHEM
2068	#if defined( __netcdf )
2069	!
2070	!-- Location-dependent size distributions and compositions.
2071	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
2072	IF ( netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
2073	!
2074	!-- Open file in read-only mode
2075	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
2076	!
2077	!-- Inquire dimensions:
2078	CALL get_dimension_length( id_dyn, pr_nz, 'z' )
2079	IF ( pr_nz /= nz ) THEN
2080	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
2081	'the number of numeric grid points.'
2082	CALL message( 'aerosol_init', 'PA0609', 1, 2, 0, 6, 0 )
2083	ENDIF
2084	!
2085	!-- Read vertical profiles of gases:
2086	CALL get_variable( id_dyn, 'init_atmosphere_h2so4', salsa_gas(1)%init(nzb+1:nzt) )
2087	CALL get_variable( id_dyn, 'init_atmosphere_hno3', salsa_gas(2)%init(nzb+1:nzt) )
2088	CALL get_variable( id_dyn, 'init_atmosphere_nh3', salsa_gas(3)%init(nzb+1:nzt) )
2089	CALL get_variable( id_dyn, 'init_atmosphere_ocnv', salsa_gas(4)%init(nzb+1:nzt) )
2090	CALL get_variable( id_dyn, 'init_atmosphere_ocsv', salsa_gas(5)%init(nzb+1:nzt) )
2091	!
2092	!-- Set Neumann top and surface boundary condition for initial + initialise concentrations
2093	DO ig = 1, ngases_salsa
2094	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
2095	salsa_gas(ig)%init(nzt+1) = salsa_gas(ig)%init(nzt)
2096	IF ( .NOT. read_restart_data_salsa ) THEN
2097	DO k = nzb, nzt+1
2098	salsa_gas(ig)%conc(k,:,:) = salsa_gas(ig)%init(k)
2099	ENDDO
2100	ENDIF
2101	ENDDO
2102
2103	ELSEIF ( .NOT. netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
2104	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
2105	' for SALSA missing!'
2106	CALL message( 'salsa_mod: aerosol_init', 'PA0610', 1, 2, 0, 6, 0 )
2107	!
2108	!-- Close input file
2109	CALL close_input_file( id_dyn )
2110	ENDIF ! netcdf_extend
2111	#else
2112	message_string = 'init_gases_type = 1 but preprocessor directive __netcdf is not used in '//&
2113	'compiling!'
2114	CALL message( 'salsa_mod: aerosol_init', 'PA0611', 1, 2, 0, 6, 0 )
2115
2116	#endif
2117
2118	ENDIF
2119	!
2120	!-- Both SO4 and OC are included, so use the given mass fractions
2121	IF ( index_oc > 0 .AND. index_so4 > 0 ) THEN
2122	pmfoc1a(:) = pmf2a(:,2) / ( pmf2a(:,2) + pmf2a(:,1) ) ! Normalize
2123	!
2124	!-- Pure organic carbon
2125	ELSEIF ( index_oc > 0 ) THEN
2126	pmfoc1a(:) = 1.0_wp
2127	!
2128	!-- Pure SO4
2129	ELSEIF ( index_so4 > 0 ) THEN
2130	pmfoc1a(:) = 0.0_wp
2131
2132	ELSE
2133	message_string = 'Either OC or SO4 must be active for aerosol region 1a!'
2134	CALL message( 'salsa_mod: aerosol_init', 'PA0612', 1, 2, 0, 6, 0 )
2135	ENDIF
2136
2137	!
2138	!-- Initialize concentrations
2139	DO i = nxlg, nxrg
2140	DO j = nysg, nyng
2141	DO k = nzb, nzt+1
2142	!
2143	!-- Predetermine flag to mask topography
2144	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2145	!
2146	!-- a) Number concentrations
2147	!-- Region 1:
2148	DO ib = start_subrange_1a, end_subrange_1a
2149	IF ( .NOT. read_restart_data_salsa ) THEN
2150	aerosol_number(ib)%conc(k,j,i) = pndist(k,ib) * flag
2151	ENDIF
2152	IF ( prunmode == 1 ) THEN
2153	aerosol_number(ib)%init = pndist(:,ib)
2154	ENDIF
2155	ENDDO
2156	!
2157	!-- Region 2:
2158	IF ( nreg > 1 ) THEN
2159	DO ib = start_subrange_2a, end_subrange_2a
2160	IF ( .NOT. read_restart_data_salsa ) THEN
2161	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, pnf2a(k) ) * pndist(k,ib) * flag
2162	ENDIF
2163	IF ( prunmode == 1 ) THEN
2164	aerosol_number(ib)%init = MAX( 0.0_wp, nf2a ) * pndist(:,ib)
2165	ENDIF
2166	ENDDO
2167	IF ( .NOT. no_insoluble ) THEN
2168	DO ib = start_subrange_2b, end_subrange_2b
2169	IF ( pnf2a(k) < 1.0_wp ) THEN
2170	IF ( .NOT. read_restart_data_salsa ) THEN
2171	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pnf2a(k) ) * &
2172	pndist(k,ib) * flag
2173	ENDIF
2174	IF ( prunmode == 1 ) THEN
2175	aerosol_number(ib)%init = MAX( 0.0_wp, 1.0_wp - nf2a ) * pndist(:,ib)
2176	ENDIF
2177	ENDIF
2178	ENDDO
2179	ENDIF
2180	ENDIF
2181	!
2182	!-- b) Aerosol mass concentrations
2183	!-- bin subrange 1: done here separately due to the SO4/OC convention
2184	!
2185	!-- SO4:
2186	IF ( index_so4 > 0 ) THEN
2187	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a !< start
2188	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a !< end
2189	ib = start_subrange_1a
2190	DO ic = ss, ee
2191	IF ( .NOT. read_restart_data_salsa ) THEN
2192	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * &
2193	pndist(k,ib) * core(ib) * arhoh2so4 * flag
2194	ENDIF
2195	IF ( prunmode == 1 ) THEN
2196	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib) &
2197	* core(ib) * arhoh2so4
2198	ENDIF
2199	ib = ib+1
2200	ENDDO
2201	ENDIF
2202	!
2203	!-- OC:
2204	IF ( index_oc > 0 ) THEN
2205	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a !< start
2206	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a !< end
2207	ib = start_subrange_1a
2208	DO ic = ss, ee
2209	IF ( .NOT. read_restart_data_salsa ) THEN
2210	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
2211	core(ib) * arhooc * flag
2212	ENDIF
2213	IF ( prunmode == 1 ) THEN
2214	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
2215	core(ib) * arhooc
2216	ENDIF
2217	ib = ib+1
2218	ENDDO
2219	ENDIF
2220	ENDDO !< k
2221
2222	prunmode = 3 ! Init only once
2223
2224	ENDDO !< j
2225	ENDDO !< i
2226
2227	!
2228	!-- c) Aerosol mass concentrations
2229	!-- bin subrange 2:
2230	IF ( nreg > 1 ) THEN
2231
2232	IF ( index_so4 > 0 ) THEN
2233	CALL set_aero_mass( index_so4, pmf2a(:,1), pmf2b(:,1), pnf2a, pndist, core, arhoh2so4 )
2234	ENDIF
2235	IF ( index_oc > 0 ) THEN
2236	CALL set_aero_mass( index_oc, pmf2a(:,2), pmf2b(:,2), pnf2a, pndist, core, arhooc )
2237	ENDIF
2238	IF ( index_bc > 0 ) THEN
2239	CALL set_aero_mass( index_bc, pmf2a(:,3), pmf2b(:,3), pnf2a, pndist, core, arhobc )
2240	ENDIF
2241	IF ( index_du > 0 ) THEN
2242	CALL set_aero_mass( index_du, pmf2a(:,4), pmf2b(:,4), pnf2a, pndist, core, arhodu )
2243	ENDIF
2244	IF ( index_ss > 0 ) THEN
2245	CALL set_aero_mass( index_ss, pmf2a(:,5), pmf2b(:,5), pnf2a, pndist, core, arhoss )
2246	ENDIF
2247	IF ( index_no > 0 ) THEN
2248	CALL set_aero_mass( index_no, pmf2a(:,6), pmf2b(:,6), pnf2a, pndist, core, arhohno3 )
2249	ENDIF
2250	IF ( index_nh > 0 ) THEN
2251	CALL set_aero_mass( index_nh, pmf2a(:,7), pmf2b(:,7), pnf2a, pndist, core, arhonh3 )
2252	ENDIF
2253
2254	ENDIF
2255
2256	END SUBROUTINE aerosol_init
2257
2258	!------------------------------------------------------------------------------!
2259	! Description:
2260	! ------------
2261	!> Create a lognormal size distribution and discretise to a sectional
2262	!> representation.
2263	!------------------------------------------------------------------------------!
2264	SUBROUTINE size_distribution( in_ntot, in_dpg, in_sigma, psd_sect )
2265
2266	IMPLICIT NONE
2267
2268	INTEGER(iwp) :: ib !< running index: bin
2269	INTEGER(iwp) :: iteration !< running index: iteration
2270
2271	REAL(wp) :: d1 !< particle diameter (m, dummy)
2272	REAL(wp) :: d2 !< particle diameter (m, dummy)
2273	REAL(wp) :: delta_d !< (d2-d1)/10
2274	REAL(wp) :: deltadp !< bin width
2275	REAL(wp) :: dmidi !< ( d1 + d2 ) / 2
2276
2277	REAL(wp), DIMENSION(:), INTENT(in) :: in_dpg !< geometric mean diameter (m)
2278	REAL(wp), DIMENSION(:), INTENT(in) :: in_ntot !< number conc. (#/m3)
2279	REAL(wp), DIMENSION(:), INTENT(in) :: in_sigma !< standard deviation
2280
2281	REAL(wp), DIMENSION(:), INTENT(inout) :: psd_sect !< sectional size distribution
2282
2283	DO ib = start_subrange_1a, end_subrange_2b
2284	psd_sect(ib) = 0.0_wp
2285	!
2286	!-- Particle diameter at the low limit (largest in the bin) (m)
2287	d1 = ( aero(ib)%vlolim / api6 )**0.33333333_wp
2288	!
2289	!-- Particle diameter at the high limit (smallest in the bin) (m)
2290	d2 = ( aero(ib)%vhilim / api6 )**0.33333333_wp
2291	!
2292	!-- Span of particle diameter in a bin (m)
2293	delta_d = 0.1_wp * ( d2 - d1 )
2294	!
2295	!-- Iterate:
2296	DO iteration = 1, 10
2297	d1 = ( aero(ib)%vlolim / api6 )*0.33333333_wp + ( ib - 1) delta_d
2298	d2 = d1 + delta_d
2299	dmidi = 0.5_wp * ( d1 + d2 )
2300	deltadp = LOG10( d2 / d1 )
2301	!
2302	!-- Size distribution
2303	!-- in_ntot = total number, total area, or total volume concentration
2304	!-- in_dpg = geometric-mean number, area, or volume diameter
2305	!-- n(k) = number, area, or volume concentration in a bin
2306	psd_sect(ib) = psd_sect(ib) + SUM( in_ntot * deltadp / ( SQRT( 2.0_wp * pi ) * &
2307	LOG10( in_sigma ) ) * EXP( -LOG10( dmidi / in_dpg )**2.0_wp / &
2308	( 2.0_wp * LOG10( in_sigma ) ** 2.0_wp ) ) )
2309
2310	ENDDO
2311	ENDDO
2312
2313	END SUBROUTINE size_distribution
2314
2315	!------------------------------------------------------------------------------!
2316	! Description:
2317	! ------------
2318	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
2319	!>
2320	!> Tomi Raatikainen, FMI, 29.2.2016
2321	!------------------------------------------------------------------------------!
2322	SUBROUTINE set_aero_mass( ispec, pmf2a, pmf2b, pnf2a, pndist, pcore, prho )
2323
2324	IMPLICIT NONE
2325
2326	INTEGER(iwp) :: ee !< index: end
2327	INTEGER(iwp) :: i !< loop index
2328	INTEGER(iwp) :: ib !< loop index
2329	INTEGER(iwp) :: ic !< loop index
2330	INTEGER(iwp) :: j !< loop index
2331	INTEGER(iwp) :: k !< loop index
2332	INTEGER(iwp) :: prunmode !< 1 = initialise
2333	INTEGER(iwp) :: ss !< index: start
2334
2335	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
2336
2337	REAL(wp) :: flag !< flag to mask topography grid points
2338
2339	REAL(wp), INTENT(in) :: prho !< Aerosol density
2340
2341	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pcore !< Aerosol bin mid core volume
2342	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pnf2a !< Number fraction for 2a
2343	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2a !< Mass distributions for a
2344	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2b !< and b bins
2345
2346	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol), INTENT(in) :: pndist !< Aerosol size distribution
2347
2348	prunmode = 1
2349
2350	DO i = nxlg, nxrg
2351	DO j = nysg, nyng
2352	DO k = nzb, nzt+1
2353	!
2354	!-- Predetermine flag to mask topography
2355	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2356	!
2357	!-- Regime 2a:
2358	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
2359	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
2360	ib = start_subrange_2a
2361	DO ic = ss, ee
2362	IF ( .NOT. read_restart_data_salsa ) THEN
2363	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib)&
2364	* pcore(ib) * prho * flag
2365	ENDIF
2366	IF ( prunmode == 1 ) THEN
2367	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2368	pcore(ib) * prho
2369	ENDIF
2370	ib = ib + 1
2371	ENDDO
2372	!
2373	!-- Regime 2b:
2374	IF ( .NOT. no_insoluble ) THEN
2375	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2b
2376	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2b
2377	ib = start_subrange_2a
2378	DO ic = ss, ee
2379	IF ( .NOT. read_restart_data_salsa ) THEN
2380	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k))&
2381	* pndist(k,ib) * pcore(ib) * prho * flag
2382	ENDIF
2383	IF ( prunmode == 1 ) THEN
2384	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) * &
2385	pndist(k,ib) * pcore(ib) * prho
2386	ENDIF
2387	ib = ib + 1
2388	ENDDO ! c
2389
2390	ENDIF
2391	ENDDO ! k
2392
2393	prunmode = 3 ! Init only once
2394
2395	ENDDO ! j
2396	ENDDO ! i
2397
2398	END SUBROUTINE set_aero_mass
2399
2400	!------------------------------------------------------------------------------!
2401	! Description:
2402	! ------------
2403	!> Initialise the matching between surface types in LSM and deposition models.
2404	!> Do the matching based on Zhang et al. (2001). Atmos. Environ. 35, 549-560
2405	!> (here referred as Z01).
2406	!------------------------------------------------------------------------------!
2407	SUBROUTINE init_deposition
2408
2409	USE surface_mod, &
2410	ONLY: surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2411
2412	IMPLICIT NONE
2413
2414	INTEGER(iwp) :: l !< loop index for vertical surfaces
2415
2416	LOGICAL :: match_lsm !< flag to initilise LSM surfaces (if false, initialise USM surfaces)
2417
2418	IF ( depo_pcm_par == 'zhang2001' ) THEN
2419	depo_pcm_par_num = 1
2420	ELSEIF ( depo_pcm_par == 'petroff2010' ) THEN
2421	depo_pcm_par_num = 2
2422	ENDIF
2423
2424	IF ( depo_surf_par == 'zhang2001' ) THEN
2425	depo_surf_par_num = 1
2426	ELSEIF ( depo_surf_par == 'petroff2010' ) THEN
2427	depo_surf_par_num = 2
2428	ENDIF
2429	!
2430	!-- LSM: Pavement, vegetation and water
2431	IF ( nldepo_surf .AND. land_surface ) THEN
2432	match_lsm = .TRUE.
2433	ALLOCATE( lsm_to_depo_h%match_lupg(1:surf_lsm_h%ns), &
2434	lsm_to_depo_h%match_luvw(1:surf_lsm_h%ns), &
2435	lsm_to_depo_h%match_luww(1:surf_lsm_h%ns) )
2436	lsm_to_depo_h%match_lupg = 0
2437	lsm_to_depo_h%match_luvw = 0
2438	lsm_to_depo_h%match_luww = 0
2439	CALL match_sm_zhang( surf_lsm_h, lsm_to_depo_h%match_lupg, lsm_to_depo_h%match_luvw, &
2440	lsm_to_depo_h%match_luww, match_lsm )
2441	DO l = 0, 3
2442	ALLOCATE( lsm_to_depo_v(l)%match_lupg(1:surf_lsm_v(l)%ns), &
2443	lsm_to_depo_v(l)%match_luvw(1:surf_lsm_v(l)%ns), &
2444	lsm_to_depo_v(l)%match_luww(1:surf_lsm_v(l)%ns) )
2445	lsm_to_depo_v(l)%match_lupg = 0
2446	lsm_to_depo_v(l)%match_luvw = 0
2447	lsm_to_depo_v(l)%match_luww = 0
2448	CALL match_sm_zhang( surf_lsm_v(l), lsm_to_depo_v(l)%match_lupg, &
2449	lsm_to_depo_v(l)%match_luvw, lsm_to_depo_v(l)%match_luww, match_lsm )
2450	ENDDO
2451	ENDIF
2452	!
2453	!-- USM: Green roofs/walls, wall surfaces and windows
2454	IF ( nldepo_surf .AND. urban_surface ) THEN
2455	match_lsm = .FALSE.
2456	ALLOCATE( usm_to_depo_h%match_lupg(1:surf_usm_h%ns), &
2457	usm_to_depo_h%match_luvw(1:surf_usm_h%ns), &
2458	usm_to_depo_h%match_luww(1:surf_usm_h%ns) )
2459	usm_to_depo_h%match_lupg = 0
2460	usm_to_depo_h%match_luvw = 0
2461	usm_to_depo_h%match_luww = 0
2462	CALL match_sm_zhang( surf_usm_h, usm_to_depo_h%match_lupg, usm_to_depo_h%match_luvw, &
2463	usm_to_depo_h%match_luww, match_lsm )
2464	DO l = 0, 3
2465	ALLOCATE( usm_to_depo_v(l)%match_lupg(1:surf_usm_v(l)%ns), &
2466	usm_to_depo_v(l)%match_luvw(1:surf_usm_v(l)%ns), &
2467	usm_to_depo_v(l)%match_luww(1:surf_usm_v(l)%ns) )
2468	usm_to_depo_v(l)%match_lupg = 0
2469	usm_to_depo_v(l)%match_luvw = 0
2470	usm_to_depo_v(l)%match_luww = 0
2471	CALL match_sm_zhang( surf_usm_v(l), usm_to_depo_v(l)%match_lupg, &
2472	usm_to_depo_v(l)%match_luvw, usm_to_depo_v(l)%match_luww, match_lsm )
2473	ENDDO
2474	ENDIF
2475
2476	IF ( nldepo_pcm ) THEN
2477	SELECT CASE ( depo_pcm_type )
2478	CASE ( 'evergreen_needleleaf' )
2479	depo_pcm_type_num = 1
2480	CASE ( 'evergreen_broadleaf' )
2481	depo_pcm_type_num = 2
2482	CASE ( 'deciduous_needleleaf' )
2483	depo_pcm_type_num = 3
2484	CASE ( 'deciduous_broadleaf' )
2485	depo_pcm_type_num = 4
2486	CASE DEFAULT
2487	message_string = 'depo_pcm_type not set correctly.'
2488	CALL message( 'salsa_mod: init_deposition', 'PA0613', 1, 2, 0, 6, 0 )
2489	END SELECT
2490	ENDIF
2491
2492	END SUBROUTINE init_deposition
2493
2494	!------------------------------------------------------------------------------!
2495	! Description:
2496	! ------------
2497	!> Match the surface types in PALM and Zhang et al. 2001 deposition module
2498	!------------------------------------------------------------------------------!
2499	SUBROUTINE match_sm_zhang( surf, match_pav_green, match_veg_wall, match_wat_win, match_lsm )
2500
2501	USE surface_mod, &
2502	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
2503
2504	IMPLICIT NONE
2505
2506	INTEGER(iwp) :: m !< index for surface elements
2507	INTEGER(iwp) :: pav_type_palm !< pavement / green wall type in PALM
2508	INTEGER(iwp) :: veg_type_palm !< vegetation / wall type in PALM
2509	INTEGER(iwp) :: wat_type_palm !< water / window type in PALM
2510
2511	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_pav_green !< matching pavement/green walls
2512	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_veg_wall !< matching vegetation/walls
2513	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_wat_win !< matching water/windows
2514
2515	LOGICAL, INTENT(in) :: match_lsm !< flag to initilise LSM surfaces (if false, initialise USM)
2516
2517	TYPE(surf_type), INTENT(in) :: surf !< respective surface type
2518
2519	DO m = 1, surf%ns
2520	IF ( match_lsm ) THEN
2521	!
2522	!-- Vegetation (LSM):
2523	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2524	veg_type_palm = surf%vegetation_type(m)
2525	SELECT CASE ( veg_type_palm )
2526	CASE ( 0 )
2527	message_string = 'No vegetation type defined.'
2528	CALL message( 'salsa_mod: init_depo_surfaces', 'PA0614', 1, 2, 0, 6, 0 )
2529	CASE ( 1 ) ! bare soil
2530	match_veg_wall(m) = 6 ! grass in Z01
2531	CASE ( 2 ) ! crops, mixed farming
2532	match_veg_wall(m) = 7 ! crops, mixed farming Z01
2533	CASE ( 3 ) ! short grass
2534	match_veg_wall(m) = 6 ! grass in Z01
2535	CASE ( 4 ) ! evergreen needleleaf trees
2536	match_veg_wall(m) = 1 ! evergreen needleleaf trees in Z01
2537	CASE ( 5 ) ! deciduous needleleaf trees
2538	match_veg_wall(m) = 3 ! deciduous needleleaf trees in Z01
2539	CASE ( 6 ) ! evergreen broadleaf trees
2540	match_veg_wall(m) = 2 ! evergreen broadleaf trees in Z01
2541	CASE ( 7 ) ! deciduous broadleaf trees
2542	match_veg_wall(m) = 4 ! deciduous broadleaf trees in Z01
2543	CASE ( 8 ) ! tall grass
2544	match_veg_wall(m) = 6 ! grass in Z01
2545	CASE ( 9 ) ! desert
2546	match_veg_wall(m) = 8 ! desert in Z01
2547	CASE ( 10 ) ! tundra
2548	match_veg_wall(m) = 9 ! tundra in Z01
2549	CASE ( 11 ) ! irrigated crops
2550	match_veg_wall(m) = 7 ! crops, mixed farming Z01
2551	CASE ( 12 ) ! semidesert
2552	match_veg_wall(m) = 8 ! desert in Z01
2553	CASE ( 13 ) ! ice caps and glaciers
2554	match_veg_wall(m) = 12 ! ice cap and glacier in Z01
2555	CASE ( 14 ) ! bogs and marshes
2556	match_veg_wall(m) = 11 ! wetland with plants in Z01
2557	CASE ( 15 ) ! evergreen shrubs
2558	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2559	CASE ( 16 ) ! deciduous shrubs
2560	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2561	CASE ( 17 ) ! mixed forest/woodland
2562	match_veg_wall(m) = 5 ! mixed broadleaf and needleleaf trees in Z01
2563	CASE ( 18 ) ! interrupted forest
2564	match_veg_wall(m) = 10 ! shrubs and interrupted woodlands in Z01
2565	END SELECT
2566	ENDIF
2567	!
2568	!-- Pavement (LSM):
2569	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2570	pav_type_palm = surf%pavement_type(m)
2571	IF ( pav_type_palm == 0 ) THEN ! error
2572	message_string = 'No pavement type defined.'
2573	CALL message( 'salsa_mod: match_sm_zhang', 'PA0615', 1, 2, 0, 6, 0 )
2574	ELSE
2575	match_pav_green(m) = 15 ! urban in Z01
2576	ENDIF
2577	ENDIF
2578	!
2579	!-- Water (LSM):
2580	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2581	wat_type_palm = surf%water_type(m)
2582	IF ( wat_type_palm == 0 ) THEN ! error
2583	message_string = 'No water type defined.'
2584	CALL message( 'salsa_mod: match_sm_zhang', 'PA0616', 1, 2, 0, 6, 0 )
2585	ELSEIF ( wat_type_palm == 3 ) THEN
2586	match_wat_win(m) = 14 ! ocean in Z01
2587	ELSEIF ( wat_type_palm == 1 .OR. wat_type_palm == 2 .OR. wat_type_palm == 4 &
2588	.OR. wat_type_palm == 5 ) THEN
2589	match_wat_win(m) = 13 ! inland water in Z01
2590	ENDIF
2591	ENDIF
2592	ELSE
2593	!
2594	!-- Wall surfaces (USM):
2595	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2596	match_veg_wall(m) = 15 ! urban in Z01
2597	ENDIF
2598	!
2599	!-- Green walls and roofs (USM):
2600	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2601	match_pav_green(m) = 6 ! (short) grass in Z01
2602	ENDIF
2603	!
2604	!-- Windows (USM):
2605	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2606	match_wat_win(m) = 15 ! urban in Z01
2607	ENDIF
2608	ENDIF
2609
2610	ENDDO
2611
2612	END SUBROUTINE match_sm_zhang
2613
2614	!------------------------------------------------------------------------------!
2615	! Description:
2616	! ------------
2617	!> Swapping of timelevels
2618	!------------------------------------------------------------------------------!
2619	SUBROUTINE salsa_swap_timelevel( mod_count )
2620
2621	IMPLICIT NONE
2622
2623	INTEGER(iwp) :: ib !<
2624	INTEGER(iwp) :: ic !<
2625	INTEGER(iwp) :: icc !<
2626	INTEGER(iwp) :: ig !<
2627
2628	INTEGER(iwp), INTENT(IN) :: mod_count !<
2629
2630	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
2631
2632	SELECT CASE ( mod_count )
2633
2634	CASE ( 0 )
2635
2636	DO ib = 1, nbins_aerosol
2637	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2638	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2639
2640	DO ic = 1, ncomponents_mass
2641	icc = ( ic-1 ) * nbins_aerosol + ib
2642	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2643	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2644	ENDDO
2645	ENDDO
2646
2647	IF ( .NOT. salsa_gases_from_chem ) THEN
2648	DO ig = 1, ngases_salsa
2649	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2650	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2651	ENDDO
2652	ENDIF
2653
2654	CASE ( 1 )
2655
2656	DO ib = 1, nbins_aerosol
2657	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2658	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2659	DO ic = 1, ncomponents_mass
2660	icc = ( ic-1 ) * nbins_aerosol + ib
2661	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2662	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2663	ENDDO
2664	ENDDO
2665
2666	IF ( .NOT. salsa_gases_from_chem ) THEN
2667	DO ig = 1, ngases_salsa
2668	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2669	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2670	ENDDO
2671	ENDIF
2672
2673	END SELECT
2674
2675	ENDIF
2676
2677	END SUBROUTINE salsa_swap_timelevel
2678
2679
2680	!------------------------------------------------------------------------------!
2681	! Description:
2682	! ------------
2683	!> This routine reads the respective restart data.
2684	!------------------------------------------------------------------------------!
2685	SUBROUTINE salsa_rrd_local( k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, nxr_on_file, nynf, nync, &
2686	nyn_on_file, nysf, nysc, nys_on_file, tmp_3d, found )
2687
2688	USE control_parameters, &
2689	ONLY: length, restart_string
2690
2691	IMPLICIT NONE
2692
2693	INTEGER(iwp) :: ib !<
2694	INTEGER(iwp) :: ic !<
2695	INTEGER(iwp) :: ig !<
2696	INTEGER(iwp) :: k !<
2697	INTEGER(iwp) :: nxlc !<
2698	INTEGER(iwp) :: nxlf !<
2699	INTEGER(iwp) :: nxl_on_file !<
2700	INTEGER(iwp) :: nxrc !<
2701	INTEGER(iwp) :: nxrf !<
2702	INTEGER(iwp) :: nxr_on_file !<
2703	INTEGER(iwp) :: nync !<
2704	INTEGER(iwp) :: nynf !<
2705	INTEGER(iwp) :: nyn_on_file !<
2706	INTEGER(iwp) :: nysc !<
2707	INTEGER(iwp) :: nysf !<
2708	INTEGER(iwp) :: nys_on_file !<
2709
2710	LOGICAL, INTENT(OUT) :: found !<
2711
2712	REAL(wp), &
2713	DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !<
2714
2715	found = .FALSE.
2716
2717	IF ( read_restart_data_salsa ) THEN
2718
2719	SELECT CASE ( restart_string(1:length) )
2720
2721	CASE ( 'aerosol_number' )
2722	DO ib = 1, nbins_aerosol
2723	IF ( k == 1 ) READ ( 13 ) tmp_3d
2724	aerosol_number(ib)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2725	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2726	found = .TRUE.
2727	ENDDO
2728
2729	CASE ( 'aerosol_mass' )
2730	DO ic = 1, ncomponents_mass * nbins_aerosol
2731	IF ( k == 1 ) READ ( 13 ) tmp_3d
2732	aerosol_mass(ic)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2733	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2734	found = .TRUE.
2735	ENDDO
2736
2737	CASE ( 'salsa_gas' )
2738	DO ig = 1, ngases_salsa
2739	IF ( k == 1 ) READ ( 13 ) tmp_3d
2740	salsa_gas(ig)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2741	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2742	found = .TRUE.
2743	ENDDO
2744
2745	CASE DEFAULT
2746	found = .FALSE.
2747
2748	END SELECT
2749	ENDIF
2750
2751	END SUBROUTINE salsa_rrd_local
2752
2753	!------------------------------------------------------------------------------!
2754	! Description:
2755	! ------------
2756	!> This routine writes the respective restart data.
2757	!> Note that the following input variables in PARIN have to be equal between
2758	!> restart runs:
2759	!> listspec, nbin, nbin2, nf2a, ncc, mass_fracs_a, mass_fracs_b
2760	!------------------------------------------------------------------------------!
2761	SUBROUTINE salsa_wrd_local
2762
2763	USE control_parameters, &
2764	ONLY: write_binary
2765
2766	IMPLICIT NONE
2767
2768	INTEGER(iwp) :: ib !<
2769	INTEGER(iwp) :: ic !<
2770	INTEGER(iwp) :: ig !<
2771
2772	IF ( write_binary .AND. write_binary_salsa ) THEN
2773
2774	CALL wrd_write_string( 'aerosol_number' )
2775	DO ib = 1, nbins_aerosol
2776	WRITE ( 14 ) aerosol_number(ib)%conc
2777	ENDDO
2778
2779	CALL wrd_write_string( 'aerosol_mass' )
2780	DO ic = 1, nbins_aerosol * ncomponents_mass
2781	WRITE ( 14 ) aerosol_mass(ic)%conc
2782	ENDDO
2783
2784	CALL wrd_write_string( 'salsa_gas' )
2785	DO ig = 1, ngases_salsa
2786	WRITE ( 14 ) salsa_gas(ig)%conc
2787	ENDDO
2788
2789	ENDIF
2790
2791	END SUBROUTINE salsa_wrd_local
2792
2793	!------------------------------------------------------------------------------!
2794	! Description:
2795	! ------------
2796	!> Performs necessary unit and dimension conversion between the host model and
2797	!> SALSA module, and calls the main SALSA routine.
2798	!> Partially adobted form the original SALSA boxmodel version.
2799	!> Now takes masses in as kg/kg from LES!! Converted to m3/m3 for SALSA
2800	!> 05/2016 Juha: This routine is still pretty much in its original shape.
2801	!> It's dumb as a mule and twice as ugly, so implementation of
2802	!> an improved solution is necessary sooner or later.
2803	!> Juha Tonttila, FMI, 2014
2804	!> Jaakko Ahola, FMI, 2016
2805	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2806	!------------------------------------------------------------------------------!
2807	SUBROUTINE salsa_driver( i, j, prunmode )
2808
2809	USE arrays_3d, &
2810	ONLY: pt_p, q_p, u, v, w
2811
2812	USE plant_canopy_model_mod, &
2813	ONLY: lad_s
2814
2815	USE surface_mod, &
2816	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2817
2818	IMPLICIT NONE
2819
2820	INTEGER(iwp) :: endi !< end index
2821	INTEGER(iwp) :: ib !< loop index
2822	INTEGER(iwp) :: ic !< loop index
2823	INTEGER(iwp) :: ig !< loop index
2824	INTEGER(iwp) :: k_wall !< vertical index of topography top
2825	INTEGER(iwp) :: k !< loop index
2826	INTEGER(iwp) :: l !< loop index
2827	INTEGER(iwp) :: nc_h2o !< index of H2O in the prtcl index table
2828	INTEGER(iwp) :: ss !< loop index
2829	INTEGER(iwp) :: str !< start index
2830	INTEGER(iwp) :: vc !< default index in prtcl
2831
2832	INTEGER(iwp), INTENT(in) :: i !< loop index
2833	INTEGER(iwp), INTENT(in) :: j !< loop index
2834	INTEGER(iwp), INTENT(in) :: prunmode !< 1: Initialization, 2: Spinup, 3: Regular runtime
2835
2836	REAL(wp) :: cw_old !< previous H2O mixing ratio
2837	REAL(wp) :: flag !< flag to mask topography grid points
2838	REAL(wp) :: in_lad !< leaf area density (m2/m3)
2839	REAL(wp) :: in_rh !< relative humidity
2840	REAL(wp) :: zgso4 !< SO4
2841	REAL(wp) :: zghno3 !< HNO3
2842	REAL(wp) :: zgnh3 !< NH3
2843	REAL(wp) :: zgocnv !< non-volatile OC
2844	REAL(wp) :: zgocsv !< semi-volatile OC
2845
2846	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
2847	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cs !< H2O sat. vapour conc.
2848	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cw !< H2O vapour concentration
2849	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure (Pa)
2850	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
2851	REAL(wp), DIMENSION(nzb:nzt+1) :: in_u !< wind magnitude (m/s)
2852	REAL(wp), DIMENSION(nzb:nzt+1) :: kvis !< kinematic viscosity of air(m2/s)
2853	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor from ppm to #/m3
2854
2855	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: schmidt_num !< particle Schmidt number
2856	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: vd !< particle fall seed (m/s)
2857
2858	TYPE(t_section), DIMENSION(nbins_aerosol) :: lo_aero !< additional variable for OpenMP
2859	TYPE(t_section), DIMENSION(nbins_aerosol) :: aero_old !< helper array
2860
2861	aero_old(:)%numc = 0.0_wp
2862	in_lad = 0.0_wp
2863	in_u = 0.0_wp
2864	kvis = 0.0_wp
2865	lo_aero = aero
2866	schmidt_num = 0.0_wp
2867	vd = 0.0_wp
2868	zgso4 = nclim
2869	zghno3 = nclim
2870	zgnh3 = nclim
2871	zgocnv = nclim
2872	zgocsv = nclim
2873	!
2874	!-- Aerosol number is always set, but mass can be uninitialized
2875	DO ib = 1, nbins_aerosol
2876	lo_aero(ib)%volc(:) = 0.0_wp
2877	aero_old(ib)%volc(:) = 0.0_wp
2878	ENDDO
2879	!
2880	!-- Set the salsa runtime config (How to make this more efficient?)
2881	CALL set_salsa_runtime( prunmode )
2882	!
2883	!-- Calculate thermodynamic quantities needed in SALSA
2884	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 )
2885	!
2886	!-- Magnitude of wind: needed for deposition
2887	IF ( lsdepo ) THEN
2888	in_u(nzb+1:nzt) = SQRT( ( 0.5_wp * ( u(nzb+1:nzt,j,i) + u(nzb+1:nzt,j,i+1) ) )**2 + &
2889	( 0.5_wp * ( v(nzb+1:nzt,j,i) + v(nzb+1:nzt,j+1,i) ) )**2 + &
2890	( 0.5_wp * ( w(nzb:nzt-1,j,i) + w(nzb+1:nzt,j, i) ) )**2 )
2891	ENDIF
2892	!
2893	!-- Calculate conversion factors for gas concentrations
2894	ppm_to_nconc(:) = for_ppm_to_nconc * in_p(:) / in_t(:)
2895	!
2896	!-- Determine topography-top index on scalar grid
2897	k_wall = k_topo_top(j,i)
2898
2899	DO k = nzb+1, nzt
2900	!
2901	!-- Predetermine flag to mask topography
2902	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2903	!
2904	!-- Wind velocity for dry depositon on vegetation
2905	IF ( lsdepo_pcm .AND. plant_canopy ) THEN
2906	in_lad = lad_s( MAX( k-k_wall,0 ),j,i)
2907	ENDIF
2908	!
2909	!-- For initialization and spinup, limit the RH with the parameter rhlim
2910	IF ( prunmode < 3 ) THEN
2911	in_cw(k) = MIN( in_cw(k), in_cs(k) * rhlim )
2912	ELSE
2913	in_cw(k) = in_cw(k)
2914	ENDIF
2915	cw_old = in_cw(k) !* in_adn(k)
2916	!
2917	!-- Set volume concentrations:
2918	!-- Sulphate (SO4) or sulphuric acid H2SO4
2919	IF ( index_so4 > 0 ) THEN
2920	vc = 1
2921	str = ( index_so4-1 ) * nbins_aerosol + 1 ! start index
2922	endi = index_so4 * nbins_aerosol ! end index
2923	ic = 1
2924	DO ss = str, endi
2925	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2so4
2926	ic = ic+1
2927	ENDDO
2928	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2929	ENDIF
2930	!
2931	!-- Organic carbon (OC) compounds
2932	IF ( index_oc > 0 ) THEN
2933	vc = 2
2934	str = ( index_oc-1 ) * nbins_aerosol + 1
2935	endi = index_oc * nbins_aerosol
2936	ic = 1
2937	DO ss = str, endi
2938	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhooc
2939	ic = ic+1
2940	ENDDO
2941	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2942	ENDIF
2943	!
2944	!-- Black carbon (BC)
2945	IF ( index_bc > 0 ) THEN
2946	vc = 3
2947	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
2948	endi = index_bc * nbins_aerosol
2949	ic = 1 + end_subrange_1a
2950	DO ss = str, endi
2951	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhobc
2952	ic = ic+1
2953	ENDDO
2954	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2955	ENDIF
2956	!
2957	!-- Dust (DU)
2958	IF ( index_du > 0 ) THEN
2959	vc = 4
2960	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
2961	endi = index_du * nbins_aerosol
2962	ic = 1 + end_subrange_1a
2963	DO ss = str, endi
2964	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhodu
2965	ic = ic+1
2966	ENDDO
2967	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2968	ENDIF
2969	!
2970	!-- Sea salt (SS)
2971	IF ( index_ss > 0 ) THEN
2972	vc = 5
2973	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
2974	endi = index_ss * nbins_aerosol
2975	ic = 1 + end_subrange_1a
2976	DO ss = str, endi
2977	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoss
2978	ic = ic+1
2979	ENDDO
2980	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2981	ENDIF
2982	!
2983	!-- Nitrate (NO(3-)) or nitric acid HNO3
2984	IF ( index_no > 0 ) THEN
2985	vc = 6
2986	str = ( index_no-1 ) * nbins_aerosol + 1
2987	endi = index_no * nbins_aerosol
2988	ic = 1
2989	DO ss = str, endi
2990	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhohno3
2991	ic = ic+1
2992	ENDDO
2993	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2994	ENDIF
2995	!
2996	!-- Ammonium (NH(4+)) or ammonia NH3
2997	IF ( index_nh > 0 ) THEN
2998	vc = 7
2999	str = ( index_nh-1 ) * nbins_aerosol + 1
3000	endi = index_nh * nbins_aerosol
3001	ic = 1
3002	DO ss = str, endi
3003	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhonh3
3004	ic = ic+1
3005	ENDDO
3006	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3007	ENDIF
3008	!
3009	!-- Water (always used)
3010	nc_h2o = get_index( prtcl,'H2O' )
3011	vc = 8
3012	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3013	endi = nc_h2o * nbins_aerosol
3014	ic = 1
3015	IF ( advect_particle_water ) THEN
3016	DO ss = str, endi
3017	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2o
3018	ic = ic+1
3019	ENDDO
3020	ELSE
3021	lo_aero(1:nbins_aerosol)%volc(vc) = mclim
3022	ENDIF
3023	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
3024	!
3025	!-- Number concentrations (numc) and particle sizes
3026	!-- (dwet = wet diameter, core = dry volume)
3027	DO ib = 1, nbins_aerosol
3028	lo_aero(ib)%numc = aerosol_number(ib)%conc(k,j,i)
3029	aero_old(ib)%numc = lo_aero(ib)%numc
3030	IF ( lo_aero(ib)%numc > nclim ) THEN
3031	lo_aero(ib)%dwet = ( SUM( lo_aero(ib)%volc(:) ) / lo_aero(ib)%numc / api6 )**0.33333333_wp
3032	lo_aero(ib)%core = SUM( lo_aero(ib)%volc(1:7) ) / lo_aero(ib)%numc
3033	ELSE
3034	lo_aero(ib)%dwet = lo_aero(ib)%dmid
3035	lo_aero(ib)%core = api6 * ( lo_aero(ib)%dwet )**3
3036	ENDIF
3037	ENDDO
3038	!
3039	!-- Calculate the ambient sizes of particles by equilibrating soluble fraction of particles with
3040	!-- water using the ZSR method.
3041	in_rh = in_cw(k) / in_cs(k)
3042	IF ( prunmode==1 .OR. .NOT. advect_particle_water ) THEN
3043	CALL equilibration( in_rh, in_t(k), lo_aero, .TRUE. )
3044	ENDIF
3045	!
3046	!-- Gaseous tracer concentrations in #/m3
3047	IF ( salsa_gases_from_chem ) THEN
3048	!
3049	!-- Convert concentrations in ppm to #/m3
3050	zgso4 = chem_species(gas_index_chem(1))%conc(k,j,i) * ppm_to_nconc(k)
3051	zghno3 = chem_species(gas_index_chem(2))%conc(k,j,i) * ppm_to_nconc(k)
3052	zgnh3 = chem_species(gas_index_chem(3))%conc(k,j,i) * ppm_to_nconc(k)
3053	zgocnv = chem_species(gas_index_chem(4))%conc(k,j,i) * ppm_to_nconc(k)
3054	zgocsv = chem_species(gas_index_chem(5))%conc(k,j,i) * ppm_to_nconc(k)
3055	ELSE
3056	zgso4 = salsa_gas(1)%conc(k,j,i)
3057	zghno3 = salsa_gas(2)%conc(k,j,i)
3058	zgnh3 = salsa_gas(3)%conc(k,j,i)
3059	zgocnv = salsa_gas(4)%conc(k,j,i)
3060	zgocsv = salsa_gas(5)%conc(k,j,i)
3061	ENDIF
3062	!
3063	!-- Calculate aerosol processes:
3064	!-- *********************************************************************************************
3065	!
3066	!-- Coagulation
3067	IF ( lscoag ) THEN
3068	CALL coagulation( lo_aero, dt_salsa, in_t(k), in_p(k) )
3069	ENDIF
3070	!
3071	!-- Condensation
3072	IF ( lscnd ) THEN
3073	CALL condensation( lo_aero, zgso4, zgocnv, zgocsv, zghno3, zgnh3, in_cw(k), in_cs(k), &
3074	in_t(k), in_p(k), dt_salsa, prtcl )
3075	ENDIF
3076	!
3077	!-- Deposition
3078	IF ( lsdepo ) THEN
3079	CALL deposition( lo_aero, in_t(k), in_adn(k), in_u(k), in_lad, kvis(k), schmidt_num(k,:),&
3080	vd(k,:) )
3081	ENDIF
3082	!
3083	!-- Size distribution bin update
3084	IF ( lsdistupdate ) THEN
3085	CALL distr_update( lo_aero )
3086	ENDIF
3087	!-- *********************************************************************************************
3088
3089	IF ( lsdepo ) sedim_vd(k,j,i,:) = vd(k,:)
3090	!
3091	!-- Calculate changes in concentrations
3092	DO ib = 1, nbins_aerosol
3093	aerosol_number(ib)%conc(k,j,i) = aerosol_number(ib)%conc(k,j,i) + ( lo_aero(ib)%numc - &
3094	aero_old(ib)%numc ) * flag
3095	ENDDO
3096
3097	IF ( index_so4 > 0 ) THEN
3098	vc = 1
3099	str = ( index_so4-1 ) * nbins_aerosol + 1
3100	endi = index_so4 * nbins_aerosol
3101	ic = 1
3102	DO ss = str, endi
3103	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3104	aero_old(ic)%volc(vc) ) * arhoh2so4 * flag
3105	ic = ic+1
3106	ENDDO
3107	ENDIF
3108
3109	IF ( index_oc > 0 ) THEN
3110	vc = 2
3111	str = ( index_oc-1 ) * nbins_aerosol + 1
3112	endi = index_oc * nbins_aerosol
3113	ic = 1
3114	DO ss = str, endi
3115	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3116	aero_old(ic)%volc(vc) ) * arhooc * flag
3117	ic = ic+1
3118	ENDDO
3119	ENDIF
3120
3121	IF ( index_bc > 0 ) THEN
3122	vc = 3
3123	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
3124	endi = index_bc * nbins_aerosol
3125	ic = 1 + end_subrange_1a
3126	DO ss = str, endi
3127	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3128	aero_old(ic)%volc(vc) ) * arhobc * flag
3129	ic = ic+1
3130	ENDDO
3131	ENDIF
3132
3133	IF ( index_du > 0 ) THEN
3134	vc = 4
3135	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
3136	endi = index_du * nbins_aerosol
3137	ic = 1 + end_subrange_1a
3138	DO ss = str, endi
3139	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3140	aero_old(ic)%volc(vc) ) * arhodu * flag
3141	ic = ic+1
3142	ENDDO
3143	ENDIF
3144
3145	IF ( index_ss > 0 ) THEN
3146	vc = 5
3147	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
3148	endi = index_ss * nbins_aerosol
3149	ic = 1 + end_subrange_1a
3150	DO ss = str, endi
3151	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3152	aero_old(ic)%volc(vc) ) * arhoss * flag
3153	ic = ic+1
3154	ENDDO
3155	ENDIF
3156
3157	IF ( index_no > 0 ) THEN
3158	vc = 6
3159	str = ( index_no-1 ) * nbins_aerosol + 1
3160	endi = index_no * nbins_aerosol
3161	ic = 1
3162	DO ss = str, endi
3163	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3164	aero_old(ic)%volc(vc) ) * arhohno3 * flag
3165	ic = ic+1
3166	ENDDO
3167	ENDIF
3168
3169	IF ( index_nh > 0 ) THEN
3170	vc = 7
3171	str = ( index_nh-1 ) * nbins_aerosol + 1
3172	endi = index_nh * nbins_aerosol
3173	ic = 1
3174	DO ss = str, endi
3175	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3176	aero_old(ic)%volc(vc) ) * arhonh3 * flag
3177	ic = ic+1
3178	ENDDO
3179	ENDIF
3180
3181	IF ( advect_particle_water ) THEN
3182	nc_h2o = get_index( prtcl,'H2O' )
3183	vc = 8
3184	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3185	endi = nc_h2o * nbins_aerosol
3186	ic = 1
3187	DO ss = str, endi
3188	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) -&
3189	aero_old(ic)%volc(vc) ) * arhoh2o * flag
3190	ic = ic+1
3191	ENDDO
3192	ENDIF
3193	IF ( prunmode == 1 ) THEN
3194	nc_h2o = get_index( prtcl,'H2O' )
3195	vc = 8
3196	str = ( nc_h2o-1 ) * nbins_aerosol + 1
3197	endi = nc_h2o * nbins_aerosol
3198	ic = 1
3199	DO ss = str, endi
3200	aerosol_mass(ss)%init(k) = MAX( aerosol_mass(ss)%init(k), ( lo_aero(ic)%volc(vc) - &
3201	aero_old(ic)%volc(vc) ) * arhoh2o )
3202	IF ( k == nzb+1 ) THEN
3203	aerosol_mass(ss)%init(k-1) = aerosol_mass(ss)%init(k)
3204	ELSEIF ( k == nzt ) THEN
3205	aerosol_mass(ss)%init(k+1) = aerosol_mass(ss)%init(k)
3206	aerosol_mass(ss)%conc(k+1,j,i) = aerosol_mass(ss)%init(k)
3207	ENDIF
3208	ic = ic+1
3209	ENDDO
3210	ENDIF
3211	!
3212	!-- Condensation of precursor gases
3213	IF ( lscndgas ) THEN
3214	IF ( salsa_gases_from_chem ) THEN
3215	!
3216	!-- SO4 (or H2SO4)
3217	ig = gas_index_chem(1)
3218	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgso4 / &
3219	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3220	!
3221	!-- HNO3
3222	ig = gas_index_chem(2)
3223	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zghno3 / &
3224	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3225	!
3226	!-- NH3
3227	ig = gas_index_chem(3)
3228	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgnh3 / &
3229	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3230	!
3231	!-- non-volatile OC
3232	ig = gas_index_chem(4)
3233	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocnv / &
3234	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3235	!
3236	!-- semi-volatile OC
3237	ig = gas_index_chem(5)
3238	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocsv / &
3239	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
3240
3241	ELSE
3242	!
3243	!-- SO4 (or H2SO4)
3244	salsa_gas(1)%conc(k,j,i) = salsa_gas(1)%conc(k,j,i) + ( zgso4 - &
3245	salsa_gas(1)%conc(k,j,i) ) * flag
3246	!
3247	!-- HNO3
3248	salsa_gas(2)%conc(k,j,i) = salsa_gas(2)%conc(k,j,i) + ( zghno3 - &
3249	salsa_gas(2)%conc(k,j,i) ) * flag
3250	!
3251	!-- NH3
3252	salsa_gas(3)%conc(k,j,i) = salsa_gas(3)%conc(k,j,i) + ( zgnh3 - &
3253	salsa_gas(3)%conc(k,j,i) ) * flag
3254	!
3255	!-- non-volatile OC
3256	salsa_gas(4)%conc(k,j,i) = salsa_gas(4)%conc(k,j,i) + ( zgocnv - &
3257	salsa_gas(4)%conc(k,j,i) ) * flag
3258	!
3259	!-- semi-volatile OC
3260	salsa_gas(5)%conc(k,j,i) = salsa_gas(5)%conc(k,j,i) + ( zgocsv - &
3261	salsa_gas(5)%conc(k,j,i) ) * flag
3262	ENDIF
3263	ENDIF
3264	!
3265	!-- Tendency of water vapour mixing ratio is obtained from the change in RH during SALSA run.
3266	!-- This releases heat and changes pt. Assumes no temperature change during SALSA run.
3267	!-- q = r / (1+r), Euler method for integration
3268	!
3269	IF ( feedback_to_palm ) THEN
3270	q_p(k,j,i) = q_p(k,j,i) + 1.0_wp / ( in_cw(k) * in_adn(k) + 1.0_wp )*2 &
3271	( in_cw(k) - cw_old ) * in_adn(k) * flag
3272	pt_p(k,j,i) = pt_p(k,j,i) + alv / c_p * ( in_cw(k) - cw_old ) * in_adn(k) / ( in_cw(k) / &
3273	in_adn(k) + 1.0_wp )*2 pt_p(k,j,i) / in_t(k) * flag
3274	ENDIF
3275
3276	ENDDO ! k
3277
3278	!
3279	!-- Set surfaces and wall fluxes due to deposition
3280	IF ( lsdepo .AND. lsdepo_surf .AND. prunmode == 3 ) THEN
3281	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
3282	CALL depo_surf( i, j, surf_def_h(0), vd, schmidt_num, kvis, in_u, .TRUE. )
3283	DO l = 0, 3
3284	CALL depo_surf( i, j, surf_def_v(l), vd, schmidt_num, kvis, in_u, .FALSE. )
3285	ENDDO
3286	ELSE
3287	CALL depo_surf( i, j, surf_usm_h, vd, schmidt_num, kvis, in_u, .TRUE., usm_to_depo_h )
3288	DO l = 0, 3
3289	CALL depo_surf( i, j, surf_usm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., &
3290	usm_to_depo_v(l) )
3291	ENDDO
3292	CALL depo_surf( i, j, surf_lsm_h, vd, schmidt_num, kvis, in_u, .TRUE., lsm_to_depo_h )
3293	DO l = 0, 3
3294	CALL depo_surf( i, j, surf_lsm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., &
3295	lsm_to_depo_v(l) )
3296	ENDDO
3297	ENDIF
3298	ENDIF
3299
3300	IF ( prunmode < 3 ) THEN
3301	!$OMP MASTER
3302	aero = lo_aero
3303	!$OMP END MASTER
3304	END IF
3305
3306	END SUBROUTINE salsa_driver
3307
3308	!------------------------------------------------------------------------------!
3309	! Description:
3310	! ------------
3311	!> Set logical switches according to the salsa_parameters options.
3312	!> Juha Tonttila, FMI, 2014
3313	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
3314	!------------------------------------------------------------------------------!
3315	SUBROUTINE set_salsa_runtime( prunmode )
3316
3317	IMPLICIT NONE
3318
3319	INTEGER(iwp), INTENT(in) :: prunmode
3320
3321	SELECT CASE(prunmode)
3322
3323	CASE(1) !< Initialization
3324	lscoag = .FALSE.
3325	lscnd = .FALSE.
3326	lscndgas = .FALSE.
3327	lscndh2oae = .FALSE.
3328	lsdepo = .FALSE.
3329	lsdepo_pcm = .FALSE.
3330	lsdepo_surf = .FALSE.
3331	lsdistupdate = .TRUE.
3332	lspartition = .FALSE.
3333
3334	CASE(2) !< Spinup period
3335	lscoag = ( .FALSE. .AND. nlcoag )
3336	lscnd = ( .TRUE. .AND. nlcnd )
3337	lscndgas = ( .TRUE. .AND. nlcndgas )
3338	lscndh2oae = ( .TRUE. .AND. nlcndh2oae )
3339
3340	CASE(3) !< Run
3341	lscoag = nlcoag
3342	lscnd = nlcnd
3343	lscndgas = nlcndgas
3344	lscndh2oae = nlcndh2oae
3345	lsdepo = nldepo
3346	lsdepo_pcm = nldepo_pcm
3347	lsdepo_surf = nldepo_surf
3348	lsdistupdate = nldistupdate
3349	END SELECT
3350
3351
3352	END SUBROUTINE set_salsa_runtime
3353
3354	!------------------------------------------------------------------------------!
3355	! Description:
3356	! ------------
3357	!> Calculates the absolute temperature (using hydrostatic pressure), saturation
3358	!> vapour pressure and mixing ratio over water, relative humidity and air
3359	!> density needed in the SALSA model.
3360	!> NOTE, no saturation adjustment takes place -> the resulting water vapour
3361	!> mixing ratio can be supersaturated, allowing the microphysical calculations
3362	!> in SALSA.
3363	!
3364	!> Juha Tonttila, FMI, 2014 (original SALSAthrm)
3365	!> Mona Kurppa, UHel, 2017 (adjustment for PALM and only aerosol processes)
3366	!------------------------------------------------------------------------------!
3367	SUBROUTINE salsa_thrm_ij( i, j, p_ij, temp_ij, cw_ij, cs_ij, adn_ij )
3368
3369	USE arrays_3d, &
3370	ONLY: pt, q, zu
3371
3372	USE basic_constants_and_equations_mod, &
3373	ONLY: barometric_formula, exner_function, ideal_gas_law_rho, magnus
3374
3375	IMPLICIT NONE
3376
3377	INTEGER(iwp), INTENT(in) :: i !<
3378	INTEGER(iwp), INTENT(in) :: j !<
3379
3380	REAL(wp) :: t_surface !< absolute surface temperature (K)
3381
3382	REAL(wp), DIMENSION(nzb:nzt+1) :: e_s !< saturation vapour pressure over water (Pa)
3383
3384	REAL(wp), DIMENSION(:), INTENT(inout) :: adn_ij !< air density (kg/m3)
3385	REAL(wp), DIMENSION(:), INTENT(inout) :: p_ij !< air pressure (Pa)
3386	REAL(wp), DIMENSION(:), INTENT(inout) :: temp_ij !< air temperature (K)
3387
3388	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cw_ij !< water vapour concentration (kg/m3)
3389	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cs_ij !< saturation water vap. conc.(kg/m3)
3390	!
3391	!-- Pressure p_ijk (Pa) = hydrostatic pressure
3392	t_surface = pt_surface * exner_function( surface_pressure * 100.0_wp )
3393	p_ij(:) = barometric_formula( zu, t_surface, surface_pressure * 100.0_wp )
3394	!
3395	!-- Absolute ambient temperature (K)
3396	temp_ij(:) = pt(:,j,i) * exner_function( p_ij(:) )
3397	!
3398	!-- Air density
3399	adn_ij(:) = ideal_gas_law_rho( p_ij(:), temp_ij(:) )
3400	!
3401	!-- Water vapour concentration r_v (kg/m3)
3402	IF ( PRESENT( cw_ij ) ) THEN
3403	cw_ij(:) = ( q(:,j,i) / ( 1.0_wp - q(:,j,i) ) ) * adn_ij(:)
3404	ENDIF
3405	!
3406	!-- Saturation mixing ratio r_s (kg/kg) from vapour pressure at temp (Pa)
3407	IF ( PRESENT( cs_ij ) ) THEN
3408	e_s(:) = 611.0_wp * EXP( alv_d_rv * ( 3.6609E-3_wp - 1.0_wp / &
3409	temp_ij(:) ) )! magnus( temp_ij(:) )
3410	cs_ij(:) = ( 0.622_wp * e_s / ( p_ij(:) - e_s(:) ) ) * adn_ij(:)
3411	ENDIF
3412
3413	END SUBROUTINE salsa_thrm_ij
3414
3415	!------------------------------------------------------------------------------!
3416	! Description:
3417	! ------------
3418	!> Calculates ambient sizes of particles by equilibrating soluble fraction of
3419	!> particles with water using the ZSR method (Stokes and Robinson, 1966).
3420	!> Method:
3421	!> Following chemical components are assumed water-soluble
3422	!> - (ammonium) sulphate (100%)
3423	!> - sea salt (100 %)
3424	!> - organic carbon (epsoc * 100%)
3425	!> Exact thermodynamic considerations neglected.
3426	!> - If particles contain no sea salt, calculation according to sulphate
3427	!> properties
3428	!> - If contain sea salt but no sulphate, calculation according to sea salt
3429	!> properties
3430	!> - If contain both sulphate and sea salt -> the molar fraction of these
3431	!> compounds determines which one of them is used as the basis of calculation.
3432	!> If sulphate and sea salt coexist in a particle, it is assumed that the Cl is
3433	!> replaced by sulphate; thus only either sulphate + organics or sea salt +
3434	!> organics is included in the calculation of soluble fraction.
3435	!> Molality parameterizations taken from Table 1 of Tang: Thermodynamic and
3436	!> optical properties of mixed-salt aerosols of atmospheric importance,
3437	!> J. Geophys. Res., 102 (D2), 1883-1893 (1997)
3438	!
3439	!> Coded by:
3440	!> Hannele Korhonen (FMI) 2005
3441	!> Harri Kokkola (FMI) 2006
3442	!> Matti Niskanen(FMI) 2012
3443	!> Anton Laakso (FMI) 2013
3444	!> Modified for the new aerosol datatype, Juha Tonttila (FMI) 2014
3445	!
3446	!> fxm: should sea salt form a solid particle when prh is very low (even though
3447	!> it could be mixed with e.g. sulphate)?
3448	!> fxm: crashes if no sulphate or sea salt
3449	!> fxm: do we really need to consider Kelvin effect for subrange 2
3450	!------------------------------------------------------------------------------!
3451	SUBROUTINE equilibration( prh, ptemp, paero, init )
3452
3453	IMPLICIT NONE
3454
3455	INTEGER(iwp) :: ib !< loop index
3456	INTEGER(iwp) :: counti !< loop index
3457
3458	LOGICAL, INTENT(in) :: init !< TRUE: Initialization, FALSE: Normal runtime: update water
3459	!< content only for 1a
3460
3461	REAL(wp) :: zaw !< water activity [0-1]
3462	REAL(wp) :: zcore !< Volume of dry particle
3463	REAL(wp) :: zdold !< Old diameter
3464	REAL(wp) :: zdwet !< Wet diameter or mean droplet diameter
3465	REAL(wp) :: zke !< Kelvin term in the KÃ¶hler equation
3466	REAL(wp) :: zlwc !< liquid water content [kg/m3-air]
3467	REAL(wp) :: zrh !< Relative humidity
3468
3469	REAL(wp), DIMENSION(maxspec) :: zbinmol !< binary molality of each components (mol/kg)
3470	REAL(wp), DIMENSION(maxspec) :: zvpart !< volume of chem. compounds in one particle
3471
3472	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
3473	REAL(wp), INTENT(in) :: ptemp !< temperature (K)
3474
3475	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3476
3477	zaw = 0.0_wp
3478	zlwc = 0.0_wp
3479	!
3480	!-- Relative humidity:
3481	zrh = prh
3482	zrh = MAX( zrh, 0.05_wp )
3483	zrh = MIN( zrh, 0.98_wp)
3484	!
3485	!-- 1) Regime 1: sulphate and partly water-soluble OC. Done for every CALL
3486	DO ib = start_subrange_1a, end_subrange_1a ! size bin
3487
3488	zbinmol = 0.0_wp
3489	zdold = 1.0_wp
3490	zke = 1.02_wp
3491
3492	IF ( paero(ib)%numc > nclim ) THEN
3493	!
3494	!-- Volume in one particle
3495	zvpart = 0.0_wp
3496	zvpart(1:2) = paero(ib)%volc(1:2) / paero(ib)%numc
3497	zvpart(6:7) = paero(ib)%volc(6:7) / paero(ib)%numc
3498	!
3499	!-- Total volume and wet diameter of one dry particle
3500	zcore = SUM( zvpart(1:2) )
3501	zdwet = paero(ib)%dwet
3502
3503	counti = 0
3504	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-2_wp )
3505
3506	zdold = MAX( zdwet, 1.0E-20_wp )
3507	zaw = MAX( 1.0E-3_wp, zrh / zke ) ! To avoid underflow
3508	!
3509	!-- Binary molalities (mol/kg):
3510	!-- Sulphate
3511	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3512	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3513	!-- Organic carbon
3514	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3515	!-- Nitric acid
3516	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - 6.210577919E+1_wp * zaw**2 &
3517	+ 5.510176187E+2_wp * zaw*3 - 1.460055286E+3_wp zaw**4 &
3518	+ 1.894467542E+3_wp * zaw*5 - 1.220611402E+3_wp zaw**6 &
3519	+ 3.098597737E+2_wp * zaw**7
3520	!
3521	!-- Calculate the liquid water content (kg/m3-air) using ZSR (see e.g. Eq. 10.98 in
3522	!-- Seinfeld and Pandis (2006))
3523	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3524	epsoc * paero(ib)%volc(2) * ( arhooc / amoc ) / zbinmol(2) + &
3525	( paero(ib)%volc(6) * ( arhohno3/amhno3 ) ) / zbinmol(6)
3526	!
3527	!-- Particle wet diameter (m)
3528	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3529	zcore / api6 )**0.33333333_wp
3530	!
3531	!-- Kelvin effect (Eq. 10.85 in in Seinfeld and Pandis (2006)). Avoid
3532	!-- overflow.
3533	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * ptemp * zdwet ) ) )
3534
3535	counti = counti + 1
3536	IF ( counti > 1000 ) THEN
3537	message_string = 'Subrange 1: no convergence!'
3538	CALL message( 'salsa_mod: equilibration', 'PA0617', 1, 2, 0, 6, 0 )
3539	ENDIF
3540	ENDDO
3541	!
3542	!-- Instead of lwc, use the volume concentration of water from now on
3543	!-- (easy to convert...)
3544	paero(ib)%volc(8) = zlwc / arhoh2o
3545	!
3546	!-- If this is initialization, update the core and wet diameter
3547	IF ( init ) THEN
3548	paero(ib)%dwet = zdwet
3549	paero(ib)%core = zcore
3550	ENDIF
3551
3552	ELSE
3553	!-- If initialization
3554	!-- 1.2) empty bins given bin average values
3555	IF ( init ) THEN
3556	paero(ib)%dwet = paero(ib)%dmid
3557	paero(ib)%core = api6 * paero(ib)%dmid**3
3558	ENDIF
3559
3560	ENDIF
3561
3562	ENDDO ! ib
3563	!
3564	!-- 2) Regime 2a: sulphate, OC, BC and sea salt
3565	!-- This is done only for initialization call, otherwise the water contents
3566	!-- are computed via condensation
3567	IF ( init ) THEN
3568	DO ib = start_subrange_2a, end_subrange_2b
3569	!
3570	!-- Initialize
3571	zke = 1.02_wp
3572	zbinmol = 0.0_wp
3573	zdold = 1.0_wp
3574	!
3575	!-- 1) Particle properties calculated for non-empty bins
3576	IF ( paero(ib)%numc > nclim ) THEN
3577	!
3578	!-- Volume in one particle [fxm]
3579	zvpart = 0.0_wp
3580	zvpart(1:7) = paero(ib)%volc(1:7) / paero(ib)%numc
3581	!
3582	!-- Total volume and wet diameter of one dry particle [fxm]
3583	zcore = SUM( zvpart(1:5) )
3584	zdwet = paero(ib)%dwet
3585
3586	counti = 0
3587	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-12_wp )
3588
3589	zdold = MAX( zdwet, 1.0E-20_wp )
3590	zaw = zrh / zke
3591	!
3592	!-- Binary molalities (mol/kg):
3593	!-- Sulphate
3594	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3595	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3596	!-- Organic carbon
3597	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3598	!-- Nitric acid
3599	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - &
3600	6.210577919E+1_wp * zaw*2 + 5.510176187E+2_wp zaw**3 - &
3601	1.460055286E+3_wp * zaw*4 + 1.894467542E+3_wp zaw**5 - &
3602	1.220611402E+3_wp * zaw*6 + 3.098597737E+2_wp zaw**7
3603	!-- Sea salt (natrium chloride)
3604	zbinmol(5) = 5.875248E+1_wp - 1.8781997E+2_wp * zaw + 2.7211377E+2_wp * zaw**2 - &
3605	1.8458287E+2_wp * zaw*3 + 4.153689E+1_wp zaw**4
3606	!
3607	!-- Calculate the liquid water content (kg/m3-air)
3608	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3609	epsoc * ( paero(ib)%volc(2) * ( arhooc / amoc ) ) / zbinmol(2) + &
3610	( paero(ib)%volc(6) * ( arhohno3 / amhno3 ) ) / zbinmol(6) + &
3611	( paero(ib)%volc(5) * ( arhoss / amss ) ) / zbinmol(5)
3612
3613	!-- Particle wet radius (m)
3614	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3615	zcore / api6 )**0.33333333_wp
3616	!
3617	!-- Kelvin effect (Eq. 10.85 in Seinfeld and Pandis (2006))
3618	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * zdwet * ptemp ) ) )
3619
3620	counti = counti + 1
3621	IF ( counti > 1000 ) THEN
3622	message_string = 'Subrange 2: no convergence!'
3623	CALL message( 'salsa_mod: equilibration', 'PA0618', 1, 2, 0, 6, 0 )
3624	ENDIF
3625	ENDDO
3626	!
3627	!-- Liquid water content; instead of LWC use the volume concentration
3628	paero(ib)%volc(8) = zlwc / arhoh2o
3629	paero(ib)%dwet = zdwet
3630	paero(ib)%core = zcore
3631
3632	ELSE
3633	!-- 2.2) empty bins given bin average values
3634	paero(ib)%dwet = paero(ib)%dmid
3635	paero(ib)%core = api6 * paero(ib)%dmid**3
3636	ENDIF
3637
3638	ENDDO ! ib
3639	ENDIF
3640
3641	END SUBROUTINE equilibration
3642
3643	!------------------------------------------------------------------------------!
3644	!> Description:
3645	!> ------------
3646	!> Calculation of the settling velocity vc (m/s) per aerosol size bin and
3647	!> deposition on plant canopy (lsdepo_pcm).
3648	!
3649	!> Deposition is based on either the scheme presented in:
3650	!> Zhang et al. (2001), Atmos. Environ. 35, 549-560 (includes collection due to
3651	!> Brownian diffusion, impaction, interception and sedimentation; hereafter ZO1)
3652	!> OR
3653	!> Petroff & Zhang (2010), Geosci. Model Dev. 3, 753-769 (includes also
3654	!> collection due to turbulent impaction, hereafter P10)
3655	!
3656	!> Equation numbers refer to equation in Jacobson (2005): Fundamentals of
3657	!> Atmospheric Modeling, 2nd Edition.
3658	!
3659	!> Subroutine follows closely sedim_SALSA in UCLALES-SALSA written by Juha
3660	!> Tonttila (KIT/FMI) and Zubair Maalick (UEF).
3661	!> Rewritten to PALM by Mona Kurppa (UH), 2017.
3662	!
3663	!> Call for grid point i,j,k
3664	!------------------------------------------------------------------------------!
3665
3666	SUBROUTINE deposition( paero, tk, adn, mag_u, lad, kvis, schmidt_num, vc )
3667
3668	USE plant_canopy_model_mod, &
3669	ONLY: cdc
3670
3671	IMPLICIT NONE
3672
3673	INTEGER(iwp) :: ib !< loop index
3674	INTEGER(iwp) :: ic !< loop index
3675
3676	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3677	REAL(wp) :: avis !< molecular viscocity of air (kg/(m*s))
3678	REAL(wp) :: beta_im !< parameter for turbulent impaction
3679	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3680	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3681	REAL(wp) :: c_interception !< coefficient for interception
3682	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3683	REAL(wp) :: depo !< deposition velocity (m/s)
3684	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3685	REAL(wp) :: lambda !< molecular mean free path (m)
3686	REAL(wp) :: mdiff !< particle diffusivity coefficient
3687	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3688	!< Table 3 in Z01
3689	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3690	REAL(wp) :: pdn !< particle density (kg/m3)
3691	REAL(wp) :: ustar !< friction velocity (m/s)
3692	REAL(wp) :: va !< thermal speed of an air molecule (m/s)
3693
3694	REAL(wp), INTENT(in) :: adn !< air density (kg/m3)
3695	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3696	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3697	REAL(wp), INTENT(in) :: tk !< abs.temperature (K)
3698
3699	REAL(wp), INTENT(inout) :: kvis !< kinematic viscosity of air (m2/s)
3700
3701	REAL(wp), DIMENSION(nbins_aerosol) :: beta !< Cunningham slip-flow correction factor
3702	REAL(wp), DIMENSION(nbins_aerosol) :: Kn !< Knudsen number
3703	REAL(wp), DIMENSION(nbins_aerosol) :: zdwet !< wet diameter (m)
3704
3705	REAL(wp), DIMENSION(:), INTENT(inout) :: schmidt_num !< particle Schmidt number
3706	REAL(wp), DIMENSION(:), INTENT(inout) :: vc !< critical fall speed i.e. settling velocity of
3707	!< an aerosol particle (m/s)
3708
3709	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3710	!
3711	!-- Initialise
3712	depo = 0.0_wp
3713	pdn = 1500.0_wp ! default value
3714	ustar = 0.0_wp
3715	!
3716	!-- Molecular viscosity of air (Eq. 4.54)
3717	avis = 1.8325E-5_wp * ( 416.16_wp / ( tk + 120.0_wp ) ) * ( tk / 296.16_wp )**1.5_wp
3718	!
3719	!-- Kinematic viscosity (Eq. 4.55)
3720	kvis = avis / adn
3721	!
3722	!-- Thermal velocity of an air molecule (Eq. 15.32)
3723	va = SQRT( 8.0_wp * abo * tk / ( pi * am_airmol ) )
3724	!
3725	!-- Mean free path (m) (Eq. 15.24)
3726	lambda = 2.0_wp * avis / ( adn * va )
3727	!
3728	!-- Particle wet diameter (m)
3729	zdwet = paero(:)%dwet
3730	!
3731	!-- Knudsen number (Eq. 15.23)
3732	Kn = MAX( 1.0E-2_wp, lambda / ( zdwet * 0.5_wp ) ) ! To avoid underflow
3733	!
3734	!-- Cunningham slip-flow correction (Eq. 15.30)
3735	beta = 1.0_wp + Kn * ( 1.249_wp + 0.42_wp * EXP( -0.87_wp / Kn ) )
3736	!
3737	!-- Critical fall speed i.e. settling velocity (Eq. 20.4)
3738	vc = MIN( 1.0_wp, zdwet*2 ( pdn - adn ) * g * beta / ( 18.0_wp * avis ) )
3739	!
3740	!-- Deposition on vegetation
3741	IF ( lsdepo_pcm .AND. plant_canopy .AND. lad > 0.0_wp ) THEN
3742	!
3743	!-- Parameters for the land use category 'deciduous broadleaf trees'(Table 3)
3744	alpha = alpha_z01(depo_pcm_type_num)
3745	gamma = gamma_z01(depo_pcm_type_num)
3746	par_a = A_z01(depo_pcm_type_num, season) * 1.0E-3_wp
3747	!
3748	!-- Deposition efficiencies from Table 1. Constants from Table 2.
3749	par_l = l_p10(depo_pcm_type_num) * 0.01_wp
3750	c_brownian_diff = c_b_p10(depo_pcm_type_num)
3751	c_interception = c_in_p10(depo_pcm_type_num)
3752	c_impaction = c_im_p10(depo_pcm_type_num)
3753	beta_im = beta_im_p10(depo_pcm_type_num)
3754	c_turb_impaction = c_it_p10(depo_pcm_type_num)
3755
3756	DO ib = 1, nbins_aerosol
3757
3758	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
3759
3760	!-- Particle diffusivity coefficient (Eq. 15.29)
3761	mdiff = ( abo * tk * beta(ib) ) / ( 3.0_wp * pi * avis * zdwet(ib) )
3762	!
3763	!-- Particle Schmidt number (Eq. 15.36)
3764	schmidt_num(ib) = kvis / mdiff
3765	!
3766	!-- Friction velocity for deposition on vegetation. Calculated following Prandtl (1925):
3767	ustar = SQRT( cdc ) * mag_u
3768	SELECT CASE ( depo_pcm_par_num )
3769
3770	CASE ( 1 ) ! Zhang et al. (2001)
3771	CALL depo_vel_Z01( vc(ib), ustar, schmidt_num(ib), paero(ib)%dwet, alpha, gamma, &
3772	par_a, depo )
3773	CASE ( 2 ) ! Petroff & Zhang (2010)
3774	CALL depo_vel_P10( vc(ib), mag_u, ustar, kvis, schmidt_num(ib), paero(ib)%dwet, &
3775	par_l, c_brownian_diff, c_interception, c_impaction, beta_im, &
3776	c_turb_impaction, depo )
3777	END SELECT
3778	!
3779	!-- Calculate the change in concentrations
3780	paero(ib)%numc = paero(ib)%numc - depo * lad * paero(ib)%numc * dt_salsa
3781	DO ic = 1, maxspec+1
3782	paero(ib)%volc(ic) = paero(ib)%volc(ic) - depo * lad * paero(ib)%volc(ic) * dt_salsa
3783	ENDDO
3784	ENDDO
3785
3786	ENDIF
3787
3788	END SUBROUTINE deposition
3789
3790	!------------------------------------------------------------------------------!
3791	! Description:
3792	! ------------
3793	!> Calculate deposition velocity (m/s) based on Zhan et al. (2001, case 1).
3794	!------------------------------------------------------------------------------!
3795
3796	SUBROUTINE depo_vel_Z01( vc, ustar, schmidt_num, diameter, alpha, gamma, par_a, depo )
3797
3798	IMPLICIT NONE
3799
3800	REAL(wp) :: rs !< overall quasi-laminar resistance for particles
3801	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3802
3803	REAL(wp), INTENT(in) :: alpha !< parameter, Table 3 in Z01
3804	REAL(wp), INTENT(in) :: gamma !< parameter, Table 3 in Z01
3805	REAL(wp), INTENT(in) :: par_a !< parameter A for the characteristic diameter of
3806	!< collectors, Table 3 in Z01
3807	REAL(wp), INTENT(in) :: diameter !< particle diameter
3808	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
3809	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
3810	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
3811
3812	REAL(wp), INTENT(inout) :: depo !< deposition efficiency (m/s)
3813
3814	IF ( par_a > 0.0_wp ) THEN
3815	!
3816	!-- Initialise
3817	rs = 0.0_wp
3818	!
3819	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3820	stokes_num = vc * ustar / ( g * par_a )
3821	!
3822	!-- The overall quasi-laminar resistance for particles (Zhang et al., Eq. 5)
3823	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * ustar * EXP( -stokes_num*0.5_wp ) &
3824	( schmidt_num( -gamma ) + ( stokes_num / ( alpha + stokes_num ) )2 + &
3825	0.5_wp * ( diameter / par_a )**2 ) ) )
3826
3827	depo = rs + vc
3828
3829	ELSE
3830	depo = 0.0_wp
3831	ENDIF
3832
3833	END SUBROUTINE depo_vel_Z01
3834
3835	!------------------------------------------------------------------------------!
3836	! Description:
3837	! ------------
3838	!> Calculate deposition velocity (m/s) based on Petroff & Zhang (2010, case 2).
3839	!------------------------------------------------------------------------------!
3840
3841	SUBROUTINE depo_vel_P10( vc, mag_u, ustar, kvis_a, schmidt_num, diameter, par_l, c_brownian_diff, &
3842	c_interception, c_impaction, beta_im, c_turb_impaction, depo )
3843
3844	IMPLICIT NONE
3845
3846	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3847	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3848	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3849	REAL(wp) :: v_im !< deposition velocity due to impaction
3850	REAL(wp) :: v_in !< deposition velocity due to interception
3851	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3852
3853	REAL(wp), INTENT(in) :: beta_im !< parameter for turbulent impaction
3854	REAL(wp), INTENT(in) :: c_brownian_diff !< coefficient for Brownian diffusion
3855	REAL(wp), INTENT(in) :: c_impaction !< coefficient for inertial impaction
3856	REAL(wp), INTENT(in) :: c_interception !< coefficient for interception
3857	REAL(wp), INTENT(in) :: c_turb_impaction !< coefficient for turbulent impaction
3858	REAL(wp), INTENT(in) :: kvis_a !< kinematic viscosity of air (m2/s)
3859	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3860	REAL(wp), INTENT(in) :: par_l !< obstacle characteristic dimension in P10
3861	REAL(wp), INTENT(in) :: diameter !< particle diameter
3862	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
3863	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
3864	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
3865
3866	REAL(wp), INTENT(inout) :: depo !< deposition efficiency (m/s)
3867
3868	IF ( par_l > 0.0_wp ) THEN
3869	!
3870	!-- Initialise
3871	tau_plus = 0.0_wp
3872	v_bd = 0.0_wp
3873	v_im = 0.0_wp
3874	v_in = 0.0_wp
3875	v_it = 0.0_wp
3876	!
3877	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3878	stokes_num = vc * ustar / ( g * par_l )
3879	!
3880	!-- Non-dimensional relexation time of the particle on top of canopy
3881	tau_plus = vc * ustar*2 / ( kvis_a g )
3882	!
3883	!-- Brownian diffusion
3884	v_bd = mag_u * c_brownian_diff * schmidt_num*( -0.66666666_wp ) &
3885	( mag_u * par_l / kvis_a )**( -0.5_wp )
3886	!
3887	!-- Interception
3888	v_in = mag_u * c_interception * diameter / par_l * &
3889	( 2.0_wp + LOG( 2.0_wp * par_l / diameter ) )
3890	!
3891	!-- Impaction: Petroff (2009) Eq. 18
3892	v_im = mag_u * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
3893	!
3894	!-- Turbulent impaction
3895	IF ( tau_plus < 20.0_wp ) THEN
3896	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
3897	ELSE
3898	v_it = c_turb_impaction
3899	ENDIF
3900
3901	depo = ( v_bd + v_in + v_im + v_it + vc )
3902
3903	ELSE
3904	depo = 0.0_wp
3905	ENDIF
3906
3907	END SUBROUTINE depo_vel_P10
3908
3909	!------------------------------------------------------------------------------!
3910	! Description:
3911	! ------------
3912	!> Calculate the dry deposition on horizontal and vertical surfaces. Implement
3913	!> as a surface flux.
3914	!> @todo aerodynamic resistance ignored for now (not important for
3915	! high-resolution simulations)
3916	!------------------------------------------------------------------------------!
3917	SUBROUTINE depo_surf( i, j, surf, vc, schmidt_num, kvis, mag_u, norm, match_array )
3918
3919	USE arrays_3d, &
3920	ONLY: rho_air_zw
3921
3922	USE surface_mod, &
3923	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
3924
3925	IMPLICIT NONE
3926
3927	INTEGER(iwp) :: ib !< loop index
3928	INTEGER(iwp) :: ic !< loop index
3929	INTEGER(iwp) :: icc !< additional loop index
3930	INTEGER(iwp) :: k !< loop index
3931	INTEGER(iwp) :: m !< loop index
3932	INTEGER(iwp) :: surf_e !< End index of surface elements at (j,i)-gridpoint
3933	INTEGER(iwp) :: surf_s !< Start index of surface elements at (j,i)-gridpoint
3934
3935	INTEGER(iwp), INTENT(in) :: i !< loop index
3936	INTEGER(iwp), INTENT(in) :: j !< loop index
3937
3938	LOGICAL, INTENT(in) :: norm !< to normalise or not
3939
3940	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3941	REAL(wp) :: beta_im !< parameter for turbulent impaction
3942	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3943	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3944	REAL(wp) :: c_interception !< coefficient for interception
3945	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3946	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3947	REAL(wp) :: norm_fac !< normalisation factor (usually air density)
3948	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3949	!< Table 3 in Z01
3950	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3951	REAL(wp) :: rs !< the overall quasi-laminar resistance for particles
3952	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3953	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3954	REAL(wp) :: v_im !< deposition velocity due to impaction
3955	REAL(wp) :: v_in !< deposition velocity due to interception
3956	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3957
3958	REAL(wp), DIMENSION(nbins_aerosol) :: depo !< deposition efficiency
3959	REAL(wp), DIMENSION(nbins_aerosol) :: depo_sum !< sum of deposition efficiencies
3960
3961	REAL(wp), DIMENSION(:), INTENT(in) :: kvis !< kinematic viscosity of air (m2/s)
3962	REAL(wp), DIMENSION(:), INTENT(in) :: mag_u !< wind velocity (m/s)
3963
3964	REAL(wp), DIMENSION(:,:), INTENT(in) :: schmidt_num !< particle Schmidt number
3965	REAL(wp), DIMENSION(:,:), INTENT(in) :: vc !< terminal velocity (m/s)
3966
3967	TYPE(match_surface), INTENT(in), OPTIONAL :: match_array !< match the deposition module and
3968	!< LSM/USM surfaces
3969	TYPE(surf_type), INTENT(inout) :: surf !< respective surface type
3970	!
3971	!-- Initialise
3972	depo = 0.0_wp
3973	depo_sum = 0.0_wp
3974	rs = 0.0_wp
3975	surf_s = surf%start_index(j,i)
3976	surf_e = surf%end_index(j,i)
3977	tau_plus = 0.0_wp
3978	v_bd = 0.0_wp
3979	v_im = 0.0_wp
3980	v_in = 0.0_wp
3981	v_it = 0.0_wp
3982	!
3983	!-- Model parameters for the land use category. If LSM or USM is applied, import
3984	!-- characteristics. Otherwise, apply surface type "urban".
3985	alpha = alpha_z01(luc_urban)
3986	gamma = gamma_z01(luc_urban)
3987	par_a = A_z01(luc_urban, season) * 1.0E-3_wp
3988
3989	par_l = l_p10(luc_urban) * 0.01_wp
3990	c_brownian_diff = c_b_p10(luc_urban)
3991	c_interception = c_in_p10(luc_urban)
3992	c_impaction = c_im_p10(luc_urban)
3993	beta_im = beta_im_p10(luc_urban)
3994	c_turb_impaction = c_it_p10(luc_urban)
3995
3996
3997	IF ( PRESENT( match_array ) ) THEN ! land or urban surface model
3998
3999	DO m = surf_s, surf_e
4000
4001	k = surf%k(m)
4002	norm_fac = 1.0_wp
4003
4004	IF ( norm ) norm_fac = rho_air_zw(k) ! normalise vertical fluxes by air density
4005
4006	IF ( match_array%match_lupg(m) > 0 ) THEN
4007	alpha = alpha_z01( match_array%match_lupg(m) )
4008	gamma = gamma_z01( match_array%match_lupg(m) )
4009	par_a = A_z01( match_array%match_lupg(m), season ) * 1.0E-3_wp
4010
4011	beta_im = beta_im_p10( match_array%match_lupg(m) )
4012	c_brownian_diff = c_b_p10( match_array%match_lupg(m) )
4013	c_impaction = c_im_p10( match_array%match_lupg(m) )
4014	c_interception = c_in_p10( match_array%match_lupg(m) )
4015	c_turb_impaction = c_it_p10( match_array%match_lupg(m) )
4016	par_l = l_p10( match_array%match_lupg(m) ) * 0.01_wp
4017
4018	DO ib = 1, nbins_aerosol
4019	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4020	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4021
4022	SELECT CASE ( depo_surf_par_num )
4023
4024	CASE ( 1 )
4025	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4026	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4027	CASE ( 2 )
4028	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4029	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4030	c_brownian_diff, c_interception, c_impaction, beta_im, &
4031	c_turb_impaction, depo(ib) )
4032	END SELECT
4033	ENDDO
4034	depo_sum = depo_sum + surf%frac(ind_pav_green,m) * depo
4035	ENDIF
4036
4037	IF ( match_array%match_luvw(m) > 0 ) THEN
4038	alpha = alpha_z01( match_array%match_luvw(m) )
4039	gamma = gamma_z01( match_array%match_luvw(m) )
4040	par_a = A_z01( match_array%match_luvw(m), season ) * 1.0E-3_wp
4041
4042	beta_im = beta_im_p10( match_array%match_luvw(m) )
4043	c_brownian_diff = c_b_p10( match_array%match_luvw(m) )
4044	c_impaction = c_im_p10( match_array%match_luvw(m) )
4045	c_interception = c_in_p10( match_array%match_luvw(m) )
4046	c_turb_impaction = c_it_p10( match_array%match_luvw(m) )
4047	par_l = l_p10( match_array%match_luvw(m) ) * 0.01_wp
4048
4049	DO ib = 1, nbins_aerosol
4050	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4051	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4052
4053	SELECT CASE ( depo_surf_par_num )
4054
4055	CASE ( 1 )
4056	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4057	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4058	CASE ( 2 )
4059	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4060	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4061	c_brownian_diff, c_interception, c_impaction, beta_im, &
4062	c_turb_impaction, depo(ib) )
4063	END SELECT
4064	ENDDO
4065	depo_sum = depo_sum + surf%frac(ind_veg_wall,m) * depo
4066	ENDIF
4067
4068	IF ( match_array%match_luww(m) > 0 ) THEN
4069	alpha = alpha_z01( match_array%match_luww(m) )
4070	gamma = gamma_z01( match_array%match_luww(m) )
4071	par_a = A_z01( match_array%match_luww(m), season ) * 1.0E-3_wp
4072
4073	beta_im = beta_im_p10( match_array%match_luww(m) )
4074	c_brownian_diff = c_b_p10( match_array%match_luww(m) )
4075	c_impaction = c_im_p10( match_array%match_luww(m) )
4076	c_interception = c_in_p10( match_array%match_luww(m) )
4077	c_turb_impaction = c_it_p10( match_array%match_luww(m) )
4078	par_l = l_p10( match_array%match_luww(m) ) * 0.01_wp
4079
4080	DO ib = 1, nbins_aerosol
4081	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4082	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4083
4084	SELECT CASE ( depo_surf_par_num )
4085
4086	CASE ( 1 )
4087	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4088	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4089	CASE ( 2 )
4090	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4091	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4092	c_brownian_diff, c_interception, c_impaction, beta_im, &
4093	c_turb_impaction, depo(ib) )
4094	END SELECT
4095	ENDDO
4096	depo_sum = depo_sum + surf%frac(ind_wat_win,m) * depo
4097	ENDIF
4098
4099	DO ib = 1, nbins_aerosol
4100	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) ) CYCLE
4101	!
4102	!-- Calculate changes in surface fluxes due to dry deposition
4103	IF ( include_emission ) THEN
4104	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - MAX( 0.0_wp, &
4105	depo_sum(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i) )
4106	DO ic = 1, ncomponents_mass
4107	icc = ( ic - 1 ) * nbins_aerosol + ib
4108	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - MAX( 0.0_wp, &
4109	depo_sum(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
4110	ENDDO ! ic
4111	ELSE
4112	surf%answs(m,ib) = -depo_sum(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i)
4113	DO ic = 1, ncomponents_mass
4114	icc = ( ic - 1 ) * nbins_aerosol + ib
4115	surf%amsws(m,icc) = -depo_sum(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i)
4116	ENDDO ! ic
4117	ENDIF
4118	ENDDO ! ib
4119
4120	ENDDO
4121
4122	ELSE ! default surfaces
4123
4124	DO m = surf_s, surf_e
4125
4126	k = surf%k(m)
4127	norm_fac = 1.0_wp
4128
4129	IF ( norm ) norm_fac = rho_air_zw(k) ! normalise vertical fluxes by air density
4130
4131	DO ib = 1, nbins_aerosol
4132	IF ( aerosol_number(ib)%conc(k,j,i) < ( 2.0_wp * nclim ) .OR. &
4133	schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
4134
4135	SELECT CASE ( depo_surf_par_num )
4136
4137	CASE ( 1 )
4138	CALL depo_vel_Z01( vc(k+1,ib), surf%us(m), schmidt_num(k+1,ib), &
4139	ra_dry(k,j,i,ib), alpha, gamma, par_a, depo(ib) )
4140	CASE ( 2 )
4141	CALL depo_vel_P10( vc(k+1,ib), mag_u(k+1), surf%us(m), kvis(k+1), &
4142	schmidt_num(k+1,ib), ra_dry(k,j,i,ib), par_l, &
4143	c_brownian_diff, c_interception, c_impaction, beta_im, &
4144	c_turb_impaction, depo(ib) )
4145	END SELECT
4146	!
4147	!-- Calculate changes in surface fluxes due to dry deposition
4148	IF ( include_emission ) THEN
4149	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - MAX( 0.0_wp, &
4150	depo(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i) )
4151	DO ic = 1, ncomponents_mass
4152	icc = ( ic - 1 ) * nbins_aerosol + ib
4153	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - MAX( 0.0_wp, &
4154	depo(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
4155	ENDDO ! ic
4156	ELSE
4157	surf%answs(m,ib) = -depo(ib) * norm_fac * aerosol_number(ib)%conc(k,j,i)
4158	DO ic = 1, ncomponents_mass
4159	icc = ( ic - 1 ) * nbins_aerosol + ib
4160	surf%amsws(m,icc) = -depo(ib) * norm_fac * aerosol_mass(icc)%conc(k,j,i)
4161	ENDDO ! ic
4162	ENDIF
4163	ENDDO ! ib
4164	ENDDO
4165
4166	ENDIF
4167
4168	END SUBROUTINE depo_surf
4169
4170	!------------------------------------------------------------------------------!
4171	! Description:
4172	! ------------
4173	!> Calculates particle loss and change in size distribution due to (Brownian)
4174	!> coagulation. Only for particles with dwet < 30 micrometres.
4175	!
4176	!> Method:
4177	!> Semi-implicit, non-iterative method: (Jacobson, 1994)
4178	!> Volume concentrations of the smaller colliding particles added to the bin of
4179	!> the larger colliding particles. Start from first bin and use the updated
4180	!> number and volume for calculation of following bins. NB! Our bin numbering
4181	!> does not follow particle size in subrange 2.
4182	!
4183	!> Schematic for bin numbers in different subranges:
4184	!> 1 2
4185	!> +-------------------------------------------+
4186	!> a \| 1 \| 2 \| 3 \|\| 4 \| 5 \| 6 \| 7 \| 8 \| 9 \| 10\|\|
4187	!> b \| \|\|11 \|12 \|13 \|14 \| 15 \| 16 \| 17\|\|
4188	!> +-------------------------------------------+
4189	!
4190	!> Exact coagulation coefficients for each pressure level are scaled according
4191	!> to current particle wet size (linear scaling).
4192	!> Bins are organized in terms of the dry size of the condensation nucleus,
4193	!> while coagulation kernell is calculated with the actual hydrometeor
4194	!> size.
4195	!
4196	!> Called from salsa_driver
4197	!> fxm: Process selection should be made smarter - now just lots of IFs inside
4198	!> loops
4199	!
4200	!> Coded by:
4201	!> Hannele Korhonen (FMI) 2005
4202	!> Harri Kokkola (FMI) 2006
4203	!> Tommi Bergman (FMI) 2012
4204	!> Matti Niskanen(FMI) 2012
4205	!> Anton Laakso (FMI) 2013
4206	!> Juha Tonttila (FMI) 2014
4207	!------------------------------------------------------------------------------!
4208	SUBROUTINE coagulation( paero, ptstep, ptemp, ppres )
4209
4210	IMPLICIT NONE
4211
4212	INTEGER(iwp) :: index_2a !< corresponding bin in subrange 2a
4213	INTEGER(iwp) :: index_2b !< corresponding bin in subrange 2b
4214	INTEGER(iwp) :: ib !< loop index
4215	INTEGER(iwp) :: ll !< loop index
4216	INTEGER(iwp) :: mm !< loop index
4217	INTEGER(iwp) :: nn !< loop index
4218
4219	REAL(wp) :: pressi !< pressure
4220	REAL(wp) :: temppi !< temperature
4221	REAL(wp) :: zdpart_mm !< diameter of particle (m)
4222	REAL(wp) :: zdpart_nn !< diameter of particle (m)
4223	REAL(wp) :: zminusterm !< coagulation loss in a bin (1/s)
4224
4225	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4226	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4227	REAL(wp), INTENT(in) :: ptstep !< time step (s)
4228
4229	REAL(wp), DIMENSION(nbins_aerosol) :: zmpart !< approximate mass of particles (kg)
4230	REAL(wp), DIMENSION(maxspec+1) :: zplusterm !< coagulation gain in a bin (for each
4231	!< chemical compound)
4232	REAL(wp), DIMENSION(nbins_aerosol,nbins_aerosol) :: zcc !< updated coagulation coeff. (m3/s)
4233
4234	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4235
4236	zdpart_mm = 0.0_wp
4237	zdpart_nn = 0.0_wp
4238	!
4239	!-- 1) Coagulation to coarse mode calculated in a simplified way:
4240	!-- CoagSink ~ Dp in continuum subrange --> 'effective' number conc. of coarse particles
4241
4242	!-- 2) Updating coagulation coefficients
4243	!
4244	!-- Aerosol mass (kg). Density of 1500 kg/m3 assumed
4245	zmpart(1:end_subrange_2b) = api6 * ( MIN( paero(1:end_subrange_2b)%dwet, 30.0E-6_wp )**3 ) &
4246	* 1500.0_wp
4247	temppi = ptemp
4248	pressi = ppres
4249	zcc = 0.0_wp
4250	!
4251	!-- Aero-aero coagulation
4252	DO mm = 1, end_subrange_2b ! smaller colliding particle
4253	IF ( paero(mm)%numc < ( 2.0_wp * nclim ) ) CYCLE
4254	DO nn = mm, end_subrange_2b ! larger colliding particle
4255	IF ( paero(nn)%numc < ( 2.0_wp * nclim ) ) CYCLE
4256
4257	zdpart_mm = MIN( paero(mm)%dwet, 30.0E-6_wp ) ! Limit to 30 um
4258	zdpart_nn = MIN( paero(nn)%dwet, 30.0E-6_wp ) ! Limit to 30 um
4259	!
4260	!-- Coagulation coefficient of particles (m3/s)
4261	zcc(mm,nn) = coagc( zdpart_mm, zdpart_nn, zmpart(mm), zmpart(nn), temppi, pressi )
4262	zcc(nn,mm) = zcc(mm,nn)
4263	ENDDO
4264	ENDDO
4265
4266	!
4267	!-- 3) New particle and volume concentrations after coagulation:
4268	!-- Calculated according to Jacobson (2005) eq. 15.9
4269	!
4270	!-- Aerosols in subrange 1a:
4271	DO ib = start_subrange_1a, end_subrange_1a
4272	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4273	zminusterm = 0.0_wp
4274	zplusterm(:) = 0.0_wp
4275	!
4276	!-- Particles lost by coagulation with larger aerosols
4277	DO ll = ib+1, end_subrange_2b
4278	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4279	ENDDO
4280	!
4281	!-- Coagulation gain in a bin: change in volume conc. (cm3/cm3):
4282	DO ll = start_subrange_1a, ib - 1
4283	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
4284	zplusterm(6:7) = zplusterm(6:7) + zcc(ll,ib) * paero(ll)%volc(6:7)
4285	zplusterm(8) = zplusterm(8) + zcc(ll,ib) * paero(ll)%volc(8)
4286	ENDDO
4287	!
4288	!-- Volume and number concentrations after coagulation update [fxm]
4289	paero(ib)%volc(1:2) = ( paero(ib)%volc(1:2) + ptstep * zplusterm(1:2) * paero(ib)%numc ) / &
4290	( 1.0_wp + ptstep * zminusterm )
4291	paero(ib)%volc(6:8) = ( paero(ib)%volc(6:8) + ptstep * zplusterm(6:8) * paero(ib)%numc ) / &
4292	( 1.0_wp + ptstep * zminusterm )
4293	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4294	zcc(ib,ib) * paero(ib)%numc )
4295	ENDDO
4296	!
4297	!-- Aerosols in subrange 2a:
4298	DO ib = start_subrange_2a, end_subrange_2a
4299	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4300	zminusterm = 0.0_wp
4301	zplusterm(:) = 0.0_wp
4302	!
4303	!-- Find corresponding size bin in subrange 2b
4304	index_2b = ib - start_subrange_2a + start_subrange_2b
4305	!
4306	!-- Particles lost by larger particles in 2a
4307	DO ll = ib+1, end_subrange_2a
4308	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4309	ENDDO
4310	!
4311	!-- Particles lost by larger particles in 2b
4312	IF ( .NOT. no_insoluble ) THEN
4313	DO ll = index_2b+1, end_subrange_2b
4314	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4315	ENDDO
4316	ENDIF
4317	!
4318	!-- Particle volume gained from smaller particles in subranges 1, 2a and 2b
4319	DO ll = start_subrange_1a, ib-1
4320	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
4321	zplusterm(6:8) = zplusterm(6:8) + zcc(ll,ib) * paero(ll)%volc(6:8)
4322	ENDDO
4323	!
4324	!-- Particle volume gained from smaller particles in 2a
4325	!-- (Note, for components not included in the previous loop!)
4326	DO ll = start_subrange_2a, ib-1
4327	zplusterm(3:5) = zplusterm(3:5) + zcc(ll,ib)*paero(ll)%volc(3:5)
4328	ENDDO
4329	!
4330	!-- Particle volume gained from smaller (and equal) particles in 2b
4331	IF ( .NOT. no_insoluble ) THEN
4332	DO ll = start_subrange_2b, index_2b
4333	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4334	ENDDO
4335	ENDIF
4336	!
4337	!-- Volume and number concentrations after coagulation update [fxm]
4338	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) / &
4339	( 1.0_wp + ptstep * zminusterm )
4340	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4341	zcc(ib,ib) * paero(ib)%numc )
4342	ENDDO
4343	!
4344	!-- Aerosols in subrange 2b:
4345	IF ( .NOT. no_insoluble ) THEN
4346	DO ib = start_subrange_2b, end_subrange_2b
4347	IF ( paero(ib)%numc < ( 2.0_wp * nclim ) ) CYCLE
4348	zminusterm = 0.0_wp
4349	zplusterm(:) = 0.0_wp
4350	!
4351	!-- Find corresponding size bin in subsubrange 2a
4352	index_2a = ib - start_subrange_2b + start_subrange_2a
4353	!
4354	!-- Particles lost to larger particles in subranges 2b
4355	DO ll = ib + 1, end_subrange_2b
4356	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4357	ENDDO
4358	!
4359	!-- Particles lost to larger and equal particles in 2a
4360	DO ll = index_2a, end_subrange_2a
4361	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
4362	ENDDO
4363	!
4364	!-- Particle volume gained from smaller particles in subranges 1 & 2a
4365	DO ll = start_subrange_1a, index_2a - 1
4366	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4367	ENDDO
4368	!
4369	!-- Particle volume gained from smaller particles in 2b
4370	DO ll = start_subrange_2b, ib - 1
4371	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
4372	ENDDO
4373	!
4374	!-- Volume and number concentrations after coagulation update [fxm]
4375	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) &
4376	/ ( 1.0_wp + ptstep * zminusterm )
4377	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
4378	zcc(ib,ib) * paero(ib)%numc )
4379	ENDDO
4380	ENDIF
4381
4382	END SUBROUTINE coagulation
4383
4384	!------------------------------------------------------------------------------!
4385	! Description:
4386	! ------------
4387	!> Calculation of coagulation coefficients. Extended version of the function
4388	!> originally found in mo_salsa_init.
4389	!
4390	!> J. Tonttila, FMI, 05/2014
4391	!------------------------------------------------------------------------------!
4392	REAL(wp) FUNCTION coagc( diam1, diam2, mass1, mass2, temp, pres )
4393
4394	IMPLICIT NONE
4395
4396	REAL(wp) :: fmdist !< distance of flux matching (m)
4397	REAL(wp) :: knud_p !< particle Knudsen number
4398	REAL(wp) :: mdiam !< mean diameter of colliding particles (m)
4399	REAL(wp) :: mfp !< mean free path of air molecules (m)
4400	REAL(wp) :: visc !< viscosity of air (kg/(m s))
4401
4402	REAL(wp), INTENT(in) :: diam1 !< diameter of colliding particle 1 (m)
4403	REAL(wp), INTENT(in) :: diam2 !< diameter of colliding particle 2 (m)
4404	REAL(wp), INTENT(in) :: mass1 !< mass of colliding particle 1 (kg)
4405	REAL(wp), INTENT(in) :: mass2 !< mass of colliding particle 2 (kg)
4406	REAL(wp), INTENT(in) :: pres !< ambient pressure (Pa?) [fxm]
4407	REAL(wp), INTENT(in) :: temp !< ambient temperature (K)
4408
4409	REAL(wp), DIMENSION (2) :: beta !< Cunningham correction factor
4410	REAL(wp), DIMENSION (2) :: dfpart !< particle diffusion coefficient (m2/s)
4411	REAL(wp), DIMENSION (2) :: diam !< diameters of particles (m)
4412	REAL(wp), DIMENSION (2) :: flux !< flux in continuum and free molec. regime (m/s)
4413	REAL(wp), DIMENSION (2) :: knud !< particle Knudsen number
4414	REAL(wp), DIMENSION (2) :: mpart !< masses of particles (kg)
4415	REAL(wp), DIMENSION (2) :: mtvel !< particle mean thermal velocity (m/s)
4416	REAL(wp), DIMENSION (2) :: omega !< particle mean free path
4417	REAL(wp), DIMENSION (2) :: tva !< temporary variable (m)
4418	!
4419	!-- Initialisation
4420	coagc = 0.0_wp
4421	!
4422	!-- 1) Initializing particle and ambient air variables
4423	diam = (/ diam1, diam2 /) !< particle diameters (m)
4424	mpart = (/ mass1, mass2 /) !< particle masses (kg)
4425	!
4426	!-- Viscosity of air (kg/(m s))
4427	visc = ( 7.44523E-3_wp * temp ** 1.5_wp ) / ( 5093.0_wp * ( temp + 110.4_wp ) )
4428	!
4429	!-- Mean free path of air (m)
4430	mfp = ( 1.656E-10_wp * temp + 1.828E-8_wp ) * ( p_0 + 1325.0_wp ) / pres
4431	!
4432	!-- 2) Slip correction factor for small particles
4433	knud = 2.0_wp * EXP( LOG(mfp) - LOG(diam) )! Knudsen number for air (15.23)
4434	!
4435	!-- Cunningham correction factor (Allen and Raabe, Aerosol Sci. Tech. 4, 269)
4436	beta = 1.0_wp + knud * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / knud ) )
4437	!
4438	!-- 3) Particle properties
4439	!-- Diffusion coefficient (m2/s) (Jacobson (2005) eq. 15.29)
4440	dfpart = beta * abo * temp / ( 3.0_wp * pi * visc * diam )
4441	!
4442	!-- Mean thermal velocity (m/s) (Jacobson (2005) eq. 15.32)
4443	mtvel = SQRT( ( 8.0_wp * abo * temp ) / ( pi * mpart ) )
4444	!
4445	!-- Particle mean free path (m) (Jacobson (2005) eq. 15.34 )
4446	omega = 8.0_wp * dfpart / ( pi * mtvel )
4447	!
4448	!-- Mean diameter (m)
4449	mdiam = 0.5_wp * ( diam(1) + diam(2) )
4450	!
4451	!-- 4) Calculation of fluxes (Brownian collision kernels) and flux matching
4452	!-- following Jacobson (2005):
4453	!
4454	!-- Flux in continuum regime (m3/s) (eq. 15.28)
4455	flux(1) = 4.0_wp * pi * mdiam * ( dfpart(1) + dfpart(2) )
4456	!
4457	!-- Flux in free molec. regime (m3/s) (eq. 15.31)
4458	flux(2) = pi * SQRT( ( mtvel(1)2 ) + ( mtvel(2)2 ) ) * ( mdiam**2 )
4459	!
4460	!-- temporary variables (m) to calculate flux matching distance (m)
4461	tva(1) = ( ( mdiam + omega(1) )3 - ( mdiam2 + omega(1)*2 ) SQRT( ( mdiam**2 + &
4462	omega(1)*2 ) ) ) / ( 3.0_wp mdiam * omega(1) ) - mdiam
4463	tva(2) = ( ( mdiam + omega(2) )3 - ( mdiam2 + omega(2)*2 ) SQRT( ( mdiam**2 + &
4464	omega(2)*2 ) ) ) / ( 3.0_wp mdiam * omega(2) ) - mdiam
4465	!
4466	!-- Flux matching distance (m): the mean distance from the centre of a sphere reached by particles
4467	!-- that leave sphere's surface and travel a distance of particle mean free path (eq. 15.34)
4468	fmdist = SQRT( tva(1)2 + tva(2)2 )
4469	!
4470	!-- 5) Coagulation coefficient = coalescence efficiency * collision kernel (m3/s) (eq. 15.33).
4471	!-- Here assumed coalescence efficiency 1!!
4472	coagc = flux(1) / ( mdiam / ( mdiam + fmdist) + flux(1) / flux(2) )
4473	!
4474	!-- Corrected collision kernel (Karl et al., 2016 (ACP)): Include van der Waals and viscous forces
4475	IF ( van_der_waals_coagc ) THEN
4476	knud_p = SQRT( omega(1)2 + omega(2)2 ) / mdiam
4477	IF ( knud_p >= 0.1_wp .AND. knud_p <= 10.0_wp ) THEN
4478	coagc = coagc * ( 2.0_wp + 0.4_wp * LOG( knud_p ) )
4479	ELSE
4480	coagc = coagc * 3.0_wp
4481	ENDIF
4482	ENDIF
4483
4484	END FUNCTION coagc
4485
4486	!------------------------------------------------------------------------------!
4487	! Description:
4488	! ------------
4489	!> Calculates the change in particle volume and gas phase
4490	!> concentrations due to nucleation, condensation and dissolutional growth.
4491	!
4492	!> Sulphuric acid and organic vapour: only condensation and no evaporation.
4493	!
4494	!> New gas and aerosol phase concentrations calculated according to Jacobson
4495	!> (1997): Numerical techniques to solve condensational and dissolutional growth
4496	!> equations when growth is coupled to reversible reactions, Aerosol Sci. Tech.,
4497	!> 27, pp 491-498.
4498	!
4499	!> Following parameterization has been used:
4500	!> Molecular diffusion coefficient of condensing vapour (m2/s)
4501	!> (Reid et al. (1987): Properties of gases and liquids, McGraw-Hill, New York.)
4502	!> D = {1.d-7sqrt(1/M_air + 1/M_gas)T^1.75} / &
4503	! {p_atm/p_stand * (d_air^(1/3) + d_gas^(1/3))^2 }
4504	!> M_air = 28.965 : molar mass of air (g/mol)
4505	!> d_air = 19.70 : diffusion volume of air
4506	!> M_h2so4 = 98.08 : molar mass of h2so4 (g/mol)
4507	!> d_h2so4 = 51.96 : diffusion volume of h2so4
4508	!
4509	!> Called from main aerosol model
4510	!> For equations, see Jacobson, Fundamentals of Atmospheric Modeling, 2nd Edition (2005)
4511	!
4512	!> Coded by:
4513	!> Hannele Korhonen (FMI) 2005
4514	!> Harri Kokkola (FMI) 2006
4515	!> Juha Tonttila (FMI) 2014
4516	!> Rewritten to PALM by Mona Kurppa (UHel) 2017
4517	!------------------------------------------------------------------------------!
4518	SUBROUTINE condensation( paero, pc_sa, pc_ocnv, pcocsv, pchno3, pc_nh3, pcw, pcs, ptemp, ppres, &
4519	ptstep, prtcl )
4520
4521	IMPLICIT NONE
4522
4523	INTEGER(iwp) :: ss !< start index
4524	INTEGER(iwp) :: ee !< end index
4525
4526	REAL(wp) :: zcs_ocnv !< condensation sink of nonvolatile organics (1/s)
4527	REAL(wp) :: zcs_ocsv !< condensation sink of semivolatile organics (1/s)
4528	REAL(wp) :: zcs_su !< condensation sink of sulfate (1/s)
4529	REAL(wp) :: zcs_tot !< total condensation sink (1/s) (gases)
4530	REAL(wp) :: zcvap_new1 !< vapour concentration after time step (#/m3): sulphuric acid
4531	REAL(wp) :: zcvap_new2 !< nonvolatile organics
4532	REAL(wp) :: zcvap_new3 !< semivolatile organics
4533	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4534	REAL(wp) :: zdvap1 !< change in vapour concentration (#/m3): sulphuric acid
4535	REAL(wp) :: zdvap2 !< nonvolatile organics
4536	REAL(wp) :: zdvap3 !< semivolatile organics
4537	REAL(wp) :: zmfp !< mean free path of condensing vapour (m)
4538	REAL(wp) :: zrh !< Relative humidity [0-1]
4539	REAL(wp) :: zvisc !< viscosity of air (kg/(m s))
4540	REAL(wp) :: zn_vs_c !< ratio of nucleation of all mass transfer in the smallest bin
4541	REAL(wp) :: zxocnv !< ratio of organic vapour in 3nm particles
4542	REAL(wp) :: zxsa !< Ratio in 3nm particles: sulphuric acid
4543
4544	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4545	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
4546	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4547	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
4548
4549	REAL(wp), INTENT(inout) :: pchno3 !< Gas concentrations (#/m3): nitric acid HNO3
4550	REAL(wp), INTENT(inout) :: pc_nh3 !< ammonia NH3
4551	REAL(wp), INTENT(inout) :: pc_ocnv !< non-volatile organics
4552	REAL(wp), INTENT(inout) :: pcocsv !< semi-volatile organics
4553	REAL(wp), INTENT(inout) :: pc_sa !< sulphuric acid H2SO4
4554	REAL(wp), INTENT(inout) :: pcw !< Water vapor concentration (kg/m3)
4555
4556	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
4557	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate !< collision rate (1/s)
4558	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate_ocnv !< collision rate of OCNV (1/s)
4559	REAL(wp), DIMENSION(start_subrange_1a+1) :: zdfpart !< particle diffusion coef. (m2/s)
4560	REAL(wp), DIMENSION(nbins_aerosol) :: zdvoloc !< change of organics volume
4561	REAL(wp), DIMENSION(nbins_aerosol) :: zdvolsa !< change of sulphate volume
4562	REAL(wp), DIMENSION(2) :: zj3n3 !< Formation massrate of molecules
4563	!< in nucleation, (molec/m3s),
4564	!< 1: H2SO4 and 2: organic vapor
4565	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
4566
4567	TYPE(component_index), INTENT(in) :: prtcl !< Keeps track which substances are used
4568
4569	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4570
4571	zj3n3 = 0.0_wp
4572	zrh = pcw / pcs
4573	zxocnv = 0.0_wp
4574	zxsa = 0.0_wp
4575	!
4576	!-- Nucleation
4577	IF ( nsnucl > 0 ) THEN
4578	CALL nucleation( paero, ptemp, zrh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, zj3n3, zxsa, &
4579	zxocnv )
4580	ENDIF
4581	!
4582	!-- Condensation on pre-existing particles
4583	IF ( lscndgas ) THEN
4584	!
4585	!-- Initialise:
4586	zdvolsa = 0.0_wp
4587	zdvoloc = 0.0_wp
4588	zcolrate = 0.0_wp
4589	!
4590	!-- 1) Properties of air and condensing gases:
4591	!-- Viscosity of air (kg/(m s)) (Eq. 4.54 in Jabonson (2005))
4592	zvisc = ( 7.44523E-3_wp * ptemp ** 1.5_wp ) / ( 5093.0_wp * ( ptemp + 110.4_wp ) )
4593	!
4594	!-- Diffusion coefficient of air (m2/s)
4595	zdfvap = 5.1111E-10_wp * ptemp ** 1.75_wp * ( p_0 + 1325.0_wp ) / ppres
4596	!
4597	!-- Mean free path (m): same for H2SO4 and organic compounds
4598	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
4599	!
4600	!-- 2) Transition regime correction factor zbeta for particles (Fuchs and Sutugin (1971)):
4601	!-- Size of condensing molecule considered only for nucleation mode (3 - 20 nm).
4602	!
4603	!-- Particle Knudsen number: condensation of gases on aerosols
4604	ss = start_subrange_1a
4605	ee = start_subrange_1a+1
4606	zknud(ss:ee) = 2.0_wp * zmfp / ( paero(ss:ee)%dwet + d_sa )
4607	ss = start_subrange_1a+2
4608	ee = end_subrange_2b
4609	zknud(ss:ee) = 2.0_wp * zmfp / paero(ss:ee)%dwet
4610	!
4611	!-- Transitional correction factor: aerosol + gas (the semi-empirical Fuchs- Sutugin
4612	!-- interpolation function (Fuchs and Sutugin, 1971))
4613	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
4614	( zknud + zknud ** 2 ) )
4615	!
4616	!-- 3) Collision rate of molecules to particles
4617	!-- Particle diffusion coefficient considered only for nucleation mode (3 - 20 nm)
4618	!
4619	!-- Particle diffusion coefficient (m2/s) (e.g. Eq. 15.29 in Jacobson (2005))
4620	zdfpart = abo * ptemp * zbeta(start_subrange_1a:start_subrange_1a+1) / ( 3.0_wp * pi * zvisc&
4621	* paero(start_subrange_1a:start_subrange_1a+1)%dwet)
4622	!
4623	!-- Collision rate (mass-transfer coefficient): gases on aerosols (1/s) (Eq. 16.64 in
4624	!-- Jacobson (2005))
4625	ss = start_subrange_1a
4626	ee = start_subrange_1a+1
4627	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * ( paero(ss:ee)%dwet + d_sa ) * ( zdfvap + zdfpart ) *&
4628	zbeta(ss:ee) * paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4629	ss = start_subrange_1a+2
4630	ee = end_subrange_2b
4631	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * paero(ss:ee)%dwet * zdfvap * zbeta(ss:ee) * &
4632	paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4633	!
4634	!-- 4) Condensation sink (1/s)
4635	zcs_tot = SUM( zcolrate ) ! total sink
4636	!
4637	!-- 5) Changes in gas-phase concentrations and particle volume
4638	!
4639	!-- 5.1) Organic vapours
4640	!
4641	!-- 5.1.1) Non-volatile organic compound: condenses onto all bins
4642	IF ( pc_ocnv > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_oc > 0 ) &
4643	THEN
4644	!-- Ratio of nucleation vs. condensation rates in the smallest bin
4645	zn_vs_c = 0.0_wp
4646	IF ( zj3n3(2) > 1.0_wp ) THEN
4647	zn_vs_c = ( zj3n3(2) ) / ( zj3n3(2) + pc_ocnv * zcolrate(start_subrange_1a) )
4648	ENDIF
4649	!
4650	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4651	!-- Jacobson (2005), eq. (16.73) )
4652	zcolrate_ocnv = zcolrate
4653	zcolrate_ocnv(start_subrange_1a) = zcolrate_ocnv(start_subrange_1a) + zj3n3(2) / pc_ocnv
4654	!
4655	!-- Total sink for organic vapor
4656	zcs_ocnv = zcs_tot + zj3n3(2) / pc_ocnv
4657	!
4658	!-- New gas phase concentration (#/m3)
4659	zcvap_new2 = pc_ocnv / ( 1.0_wp + ptstep * zcs_ocnv )
4660	!
4661	!-- Change in gas concentration (#/m3)
4662	zdvap2 = pc_ocnv - zcvap_new2
4663	!
4664	!-- Updated vapour concentration (#/m3)
4665	pc_ocnv = zcvap_new2
4666	!
4667	!-- Volume change of particles (m3(OC)/m3(air))
4668	zdvoloc = zcolrate_ocnv(start_subrange_1a:end_subrange_2b) / zcs_ocnv * amvoc * zdvap2
4669	!
4670	!-- Change of volume due to condensation in 1a-2b
4671	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4672	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4673	!
4674	!-- Change of number concentration in the smallest bin caused by nucleation (Jacobson (2005),
4675	!-- eq. (16.75)). If zxocnv = 0, then the chosen nucleation mechanism doesn't take into
4676	!-- account the non-volatile organic vapors and thus the paero doesn't have to be updated.
4677	IF ( zxocnv > 0.0_wp ) THEN
4678	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4679	zdvoloc(start_subrange_1a) / amvoc / ( n3 * zxocnv )
4680	ENDIF
4681	ENDIF
4682	!
4683	!-- 5.1.2) Semivolatile organic compound: all bins except subrange 1
4684	zcs_ocsv = SUM( zcolrate(start_subrange_2a:end_subrange_2b) ) !< sink for semi-volatile org.
4685	IF ( pcocsv > 1.0E+10_wp .AND. zcs_ocsv > 1.0E-30 .AND. is_used( prtcl,'OC') ) THEN
4686	!
4687	!-- New gas phase concentration (#/m3)
4688	zcvap_new3 = pcocsv / ( 1.0_wp + ptstep * zcs_ocsv )
4689	!
4690	!-- Change in gas concentration (#/m3)
4691	zdvap3 = pcocsv - zcvap_new3
4692	!
4693	!-- Updated gas concentration (#/m3)
4694	pcocsv = zcvap_new3
4695	!
4696	!-- Volume change of particles (m3(OC)/m3(air))
4697	ss = start_subrange_2a
4698	ee = end_subrange_2b
4699	zdvoloc(ss:ee) = zdvoloc(ss:ee) + zcolrate(ss:ee) / zcs_ocsv * amvoc * zdvap3
4700	!
4701	!-- Change of volume due to condensation in 1a-2b
4702	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4703	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4704	ENDIF
4705	!
4706	!-- 5.2) Sulphate: condensed on all bins
4707	IF ( pc_sa > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_so4 > 0 ) THEN
4708	!
4709	!-- Ratio of mass transfer between nucleation and condensation
4710	zn_vs_c = 0.0_wp
4711	IF ( zj3n3(1) > 1.0_wp ) THEN
4712	zn_vs_c = ( zj3n3(1) ) / ( zj3n3(1) + pc_sa * zcolrate(start_subrange_1a) )
4713	ENDIF
4714	!
4715	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4716	!-- Jacobson (2005), eq. (16.73))
4717	zcolrate(start_subrange_1a) = zcolrate(start_subrange_1a) + zj3n3(1) / pc_sa
4718	!
4719	!-- Total sink for sulfate (1/s)
4720	zcs_su = zcs_tot + zj3n3(1) / pc_sa
4721	!
4722	!-- Sulphuric acid:
4723	!-- New gas phase concentration (#/m3)
4724	zcvap_new1 = pc_sa / ( 1.0_wp + ptstep * zcs_su )
4725	!
4726	!-- Change in gas concentration (#/m3)
4727	zdvap1 = pc_sa - zcvap_new1
4728	!
4729	!-- Updating vapour concentration (#/m3)
4730	pc_sa = zcvap_new1
4731	!
4732	!-- Volume change of particles (m3(SO4)/m3(air)) by condensation
4733	zdvolsa = zcolrate(start_subrange_1a:end_subrange_2b) / zcs_su * amvh2so4 * zdvap1
4734	!
4735	!-- Change of volume concentration of sulphate in aerosol [fxm]
4736	paero(start_subrange_1a:end_subrange_2b)%volc(1) = &
4737	paero(start_subrange_1a:end_subrange_2b)%volc(1) + zdvolsa
4738	!
4739	!-- Change of number concentration in the smallest bin caused by nucleation
4740	!-- (Jacobson (2005), equation (16.75))
4741	IF ( zxsa > 0.0_wp ) THEN
4742	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4743	zdvolsa(start_subrange_1a) / amvh2so4 / ( n3 * zxsa)
4744	ENDIF
4745	ENDIF
4746	!
4747	!-- Partitioning of H2O, HNO3, and NH3: Dissolutional growth
4748	IF ( lspartition .AND. ( pchno3 > 1.0E+10_wp .OR. pc_nh3 > 1.0E+10_wp ) ) THEN
4749	CALL gpparthno3( ppres, ptemp, paero, pchno3, pc_nh3, pcw, pcs, zbeta, ptstep )
4750	ENDIF
4751	ENDIF
4752	!
4753	!-- Condensation of water vapour
4754	IF ( lscndh2oae ) THEN
4755	CALL gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
4756	ENDIF
4757
4758	END SUBROUTINE condensation
4759
4760	!------------------------------------------------------------------------------!
4761	! Description:
4762	! ------------
4763	!> Calculates the particle number and volume increase, and gas-phase
4764	!> concentration decrease due to nucleation subsequent growth to detectable size
4765	!> of 3 nm.
4766	!
4767	!> Method:
4768	!> When the formed clusters grow by condensation (possibly also by self-
4769	!> coagulation), their number is reduced due to scavenging to pre-existing
4770	!> particles. Thus, the apparent nucleation rate at 3 nm is significantly lower
4771	!> than the real nucleation rate (at ~1 nm).
4772	!
4773	!> Calculation of the formation rate of detectable particles at 3 nm (i.e. J3):
4774	!> nj3 = 1: Kerminen, V.-M. and Kulmala, M. (2002), J. Aerosol Sci.,33, 609-622.
4775	!> nj3 = 2: Lehtinen et al. (2007), J. Aerosol Sci., 38(9), 988-994.
4776	!> nj3 = 3: Anttila et al. (2010), J. Aerosol Sci., 41(7), 621-636.
4777	!
4778	!> c = aerosol of critical radius (1 nm)
4779	!> x = aerosol with radius 3 nm
4780	!> 2 = wet or mean droplet
4781	!
4782	!> Called from subroutine condensation (in module salsa_dynamics_mod.f90)
4783	!
4784	!> Calls one of the following subroutines:
4785	!> - binnucl
4786	!> - ternucl
4787	!> - kinnucl
4788	!> - actnucl
4789	!
4790	!> fxm: currently only sulphuric acid grows particles from 1 to 3 nm
4791	!> (if asked from Markku, this is terribly wrong!!!)
4792	!
4793	!> Coded by:
4794	!> Hannele Korhonen (FMI) 2005
4795	!> Harri Kokkola (FMI) 2006
4796	!> Matti Niskanen(FMI) 2012
4797	!> Anton Laakso (FMI) 2013
4798	!------------------------------------------------------------------------------!
4799
4800	SUBROUTINE nucleation( paero, ptemp, prh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, pj3n3, pxsa, &
4801	pxocnv )
4802
4803	IMPLICIT NONE
4804
4805	INTEGER(iwp) :: iteration
4806
4807	REAL(wp) :: zc_h2so4 !< H2SO4 conc. (#/cm3) !UNITS!
4808	REAL(wp) :: zc_org !< organic vapour conc. (#/cm3)
4809	REAL(wp) :: zcc_c !< Cunningham correct factor for c = critical (1nm)
4810	REAL(wp) :: zcc_x !< Cunningham correct factor for x = 3nm
4811	REAL(wp) :: zcoags_c !< coagulation sink (1/s) for c = critical (1nm)
4812	REAL(wp) :: zcoags_x !< coagulation sink (1/s) for x = 3nm
4813	REAL(wp) :: zcoagstot !< total particle losses due to coagulation, including condensation
4814	!< and self-coagulation
4815	REAL(wp) :: zcocnv_local !< organic vapour conc. (#/m3)
4816	REAL(wp) :: zcsink !< condensational sink (#/m2)
4817	REAL(wp) :: zcsa_local !< H2SO4 conc. (#/m3)
4818	REAL(wp) :: zcv_c !< mean relative thermal velocity (m/s) for c = critical (1nm)
4819	REAL(wp) :: zcv_x !< mean relative thermal velocity (m/s) for x = 3nm
4820	REAL(wp) :: zdcrit !< diameter of critical cluster (m)
4821	REAL(wp) :: zdelta_vap !< change of H2SO4 and organic vapour concentration (#/m3)
4822	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4823	REAL(wp) :: zdmean !< mean diameter of existing particles (m)
4824	REAL(wp) :: zeta !< constant: proportional to ratio of CS/GR (m)
4825	!< (condensation sink / growth rate)
4826	REAL(wp) :: zgamma !< proportionality factor ((nm2*m2)/h)
4827	REAL(wp) :: z_gr_clust !< growth rate of formed clusters (nm/h)
4828	REAL(wp) :: z_gr_tot !< total growth rate
4829	REAL(wp) :: zj3 !< number conc. of formed 3nm particles (#/m3)
4830	REAL(wp) :: zjnuc !< nucleation rate at ~1nm (#/m3s)
4831	REAL(wp) :: z_k_eff !< effective cogulation coefficient for freshly nucleated particles
4832	REAL(wp) :: zknud_c !< Knudsen number for c = critical (1nm)
4833	REAL(wp) :: zknud_x !< Knudsen number for x = 3nm
4834	REAL(wp) :: zkocnv !< lever: zkocnv=1 --> organic compounds involved in nucleation
4835	REAL(wp) :: zksa !< lever: zksa=1 --> H2SO4 involved in nucleation
4836	REAL(wp) :: zlambda !< parameter for adjusting the growth rate due to self-coagulation
4837	REAL(wp) :: zm_c !< particle mass (kg) for c = critical (1nm)
4838	REAL(wp) :: zm_para !< Parameter m for calculating the coagulation sink (Eq. 5&6 in
4839	!< Lehtinen et al. 2007)
4840	REAL(wp) :: zm_x !< particle mass (kg) for x = 3nm
4841	REAL(wp) :: zmfp !< mean free path of condesing vapour(m)
4842	REAL(wp) :: zmixnh3 !< ammonia mixing ratio (ppt)
4843	REAL(wp) :: zmyy !< gas dynamic viscosity (N*s/m2)
4844	REAL(wp) :: z_n_nuc !< number of clusters/particles at the size range d1-dx (#/m3)
4845	REAL(wp) :: znoc !< number of organic molecules in critical cluster
4846	REAL(wp) :: znsa !< number of H2SO4 molecules in critical cluster
4847
4848	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia concentration (#/m3)
4849	REAL(wp), INTENT(in) :: pc_ocnv !< conc. of non-volatile OC (#/m3)
4850	REAL(wp), INTENT(in) :: pc_sa !< sulphuric acid conc. (#/m3)
4851	REAL(wp), INTENT(in) :: ppres !< ambient air pressure (Pa)
4852	REAL(wp), INTENT(in) :: prh !< ambient rel. humidity [0-1]
4853	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4854	REAL(wp), INTENT(in) :: ptstep !< time step (s) of SALSA
4855
4856	REAL(wp), INTENT(inout) :: pj3n3(2) !< formation mass rate of molecules (molec/m3s) for
4857	!< 1: H2SO4 and 2: organic vapour
4858
4859	REAL(wp), INTENT(out) :: pxocnv !< ratio of non-volatile organic vapours in 3 nm particles
4860	REAL(wp), INTENT(out) :: pxsa !< ratio of H2SO4 in 3 nm aerosol particles
4861
4862	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
4863	REAL(wp), DIMENSION(nbins_aerosol) :: zcc_2 !< Cunningham correct factor:2
4864	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_2 !< mean relative thermal velocity (m/s): 2
4865	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_c2 !< average velocity after coagulation: c & 2
4866	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_x2 !< average velocity after coagulation: x & 2
4867	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_2 !< particle diffusion coefficient (m2/s): 2
4868	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c !< particle diffusion coefficient (m2/s): c
4869	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c2 !< sum of diffusion coef. for c and 2
4870	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x !< particle diffusion coefficient (m2/s): x
4871	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x2 !< sum of diffusion coef. for: x & 2
4872	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_2 !< zgamma_f for calculating zomega
4873	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_c !< zgamma_f for calculating zomega
4874	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_x !< zgamma_f for calculating zomega
4875	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_c2 !< coagulation coef. in the continuum
4876	!< regime: c & 2
4877	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_x2 !< coagulation coef. in the continuum
4878	!< regime: x & 2
4879	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
4880	REAL(wp), DIMENSION(nbins_aerosol) :: zknud_2 !< particle Knudsen number: 2
4881	REAL(wp), DIMENSION(nbins_aerosol) :: zm_2 !< particle mass (kg): 2
4882	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2c !< zomega (m) for calculating zsigma: c & 2
4883	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2x !< zomega (m) for calculating zsigma: x & 2
4884	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_c !< zomega (m) for calculating zsigma: c
4885	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_x !< zomega (m) for calculating zsigma: x
4886	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_c2 !< sum of the radii: c & 2
4887	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_x2 !< sum of the radii: x & 2
4888	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_c2 !<
4889	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_x2 !<
4890
4891	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
4892	!
4893	!-- 1) Nucleation rate (zjnuc) and diameter of critical cluster (zdcrit)
4894	zjnuc = 0.0_wp
4895	znsa = 0.0_wp
4896	znoc = 0.0_wp
4897	zdcrit = 0.0_wp
4898	zksa = 0.0_wp
4899	zkocnv = 0.0_wp
4900
4901	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4902	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
4903	zmixnh3 = pc_nh3 * ptemp * argas / ( ppres * avo )
4904
4905	SELECT CASE ( nsnucl )
4906	!
4907	!-- Binary H2SO4-H2O nucleation
4908	CASE(1)
4909
4910	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4911	!
4912	!-- Activation type nucleation (See Riipinen et al. (2007), Atmos. Chem. Phys., 7(8), 1899-1914)
4913	CASE(2)
4914	!
4915	!-- Nucleation rate (#/(m3 s))
4916	zc_h2so4 = MAX( zc_h2so4, 1.0E4_wp )
4917	zc_h2so4 = MIN( zc_h2so4, 1.0E11_wp )
4918	zjnuc = act_coeff * pc_sa ! (#/(m3 s))
4919	!
4920	!-- Organic compounds not involved when kinetic nucleation is assumed.
4921	zdcrit = 7.9375E-10_wp ! (m)
4922	zkocnv = 0.0_wp
4923	zksa = 1.0_wp
4924	znoc = 0.0_wp
4925	znsa = 2.0_wp
4926	!
4927	!-- Kinetically limited nucleation of (NH4)HSO4 clusters
4928	!-- (See Sihto et al. (2006), Atmos. Chem. Phys., 6(12), 4079-4091.)
4929	CASE(3)
4930	!
4931	!-- Nucleation rate = coagcoeffzpcsa*2 (#/(m3 s))
4932	zc_h2so4 = MAX( zc_h2so4, 1.0E4_wp )
4933	zc_h2so4 = MIN( zc_h2so4, 1.0E11_wp )
4934	zjnuc = 5.0E-13_wp * zc_h2so4*2.0_wp 1.0E+6_wp
4935	!
4936	!-- Organic compounds not involved when kinetic nucleation is assumed.
4937	zdcrit = 7.9375E-10_wp ! (m)
4938	zkocnv = 0.0_wp
4939	zksa = 1.0_wp
4940	znoc = 0.0_wp
4941	znsa = 2.0_wp
4942	!
4943	!-- Ternary H2SO4-H2O-NH3 nucleation
4944	CASE(4)
4945
4946	CALL ternucl( zc_h2so4, zmixnh3, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4947	!
4948	!-- Organic nucleation, J~[ORG] or J~[ORG]**2
4949	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.)
4950	CASE(5)
4951	!
4952	!-- Homomolecular nuleation rate
4953	zjnuc = 1.3E-7_wp * pc_ocnv ! (1/s) (Paasonen et al. Table 4: median a_org)
4954	!
4955	!-- H2SO4 not involved when pure organic nucleation is assumed.
4956	zdcrit = 1.5E-9 ! (m)
4957	zkocnv = 1.0_wp
4958	zksa = 0.0_wp
4959	znoc = 1.0_wp
4960	znsa = 0.0_wp
4961	!
4962	!-- Sum of H2SO4 and organic activation type nucleation, J~[H2SO4]+[ORG]
4963	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242)
4964	CASE(6)
4965	!
4966	!-- Nucleation rate (#/m3/s)
4967	zjnuc = 6.1E-7_wp * pc_sa + 0.39E-7_wp * pc_ocnv ! (Paasonen et al. Table 3.)
4968	!
4969	!-- Both organic compounds and H2SO4 are involved when sumnucleation is assumed.
4970	zdcrit = 1.5E-9_wp ! (m)
4971	zkocnv = 1.0_wp
4972	zksa = 1.0_wp
4973	znoc = 1.0_wp
4974	znsa = 1.0_wp
4975	!
4976	!-- Heteromolecular nucleation, J~[H2SO4]*[ORG]
4977	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.)
4978	CASE(7)
4979	!
4980	!-- Nucleation rate (#/m3/s)
4981	zjnuc = 4.1E-14_wp * pc_sa * pc_ocnv * 1.0E6_wp ! (Paasonen et al. Table 4: median)
4982	!
4983	!-- Both organic compounds and H2SO4 are involved when heteromolecular nucleation is assumed
4984	zdcrit = 1.5E-9_wp ! (m)
4985	zkocnv = 1.0_wp
4986	zksa = 1.0_wp
4987	znoc = 1.0_wp
4988	znsa = 1.0_wp
4989	!
4990	!-- Homomolecular nucleation of H2SO4 and heteromolecular nucleation of H2SO4 and organic vapour,
4991	!-- J~[H2SO4]*2 + [H2SO4][ORG] (EUCAARI project)
4992	!-- (See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242)
4993	CASE(8)
4994	!
4995	!-- Nucleation rate (#/m3/s)
4996	zjnuc = ( 1.1E-14_wp * zc_h2so4*2 + 3.2E-14_wp zc_h2so4 * zc_org ) * 1.0E+6_wp
4997	!
4998	!-- Both organic compounds and H2SO4 are involved when SAnucleation is assumed
4999	zdcrit = 1.5E-9_wp ! (m)
5000	zkocnv = 1.0_wp
5001	zksa = 1.0_wp
5002	znoc = 1.0_wp
5003	znsa = 3.0_wp
5004	!
5005	!-- Homomolecular nucleation of H2SO4 and organic vapour and heteromolecular nucleation of H2SO4
5006	!-- and organic vapour, J~[H2SO4]*2 + [H2SO4][ORG]+[ORG]**2 (EUCAARI project)
5007	CASE(9)
5008	!
5009	!-- Nucleation rate (#/m3/s)
5010	zjnuc = ( 1.4E-14_wp * zc_h2so4*2 + 2.6E-14_wp zc_h2so4 * zc_org + 0.037E-14_wp * &
5011	zc_org*2 ) 1.0E+6_wp
5012	!
5013	!-- Both organic compounds and H2SO4 are involved when SAORGnucleation is assumed
5014	zdcrit = 1.5E-9_wp ! (m)
5015	zkocnv = 1.0_wp
5016	zksa = 1.0_wp
5017	znoc = 3.0_wp
5018	znsa = 3.0_wp
5019
5020	END SELECT
5021
5022	zcsa_local = pc_sa
5023	zcocnv_local = pc_ocnv
5024	!
5025	!-- 2) Change of particle and gas concentrations due to nucleation
5026	!
5027	!-- 2.1) Check that there is enough H2SO4 and organic vapour to produce the nucleation
5028	IF ( nsnucl <= 4 ) THEN
5029	!
5030	!-- If the chosen nucleation scheme is 1-4, nucleation occurs only due to H2SO4. All of the total
5031	!-- vapour concentration that is taking part to the nucleation is there for sulphuric acid
5032	!-- (sa = H2SO4) and non-volatile organic vapour is zero.
5033	pxsa = 1.0_wp ! ratio of sulphuric acid in 3nm particles
5034	pxocnv = 0.0_wp ! ratio of non-volatile origanic vapour
5035	! in 3nm particles
5036	ELSEIF ( nsnucl > 4 ) THEN
5037	!
5038	!-- If the chosen nucleation scheme is 5-9, nucleation occurs due to organic vapour or the
5039	!-- combination of organic vapour and H2SO4. The number of needed molecules depends on the chosen
5040	!-- nucleation type and it has an effect also on the minimum ratio of the molecules present.
5041	IF ( pc_sa * znsa + pc_ocnv * znoc < 1.E-14_wp ) THEN
5042	pxsa = 0.0_wp
5043	pxocnv = 0.0_wp
5044	ELSE
5045	pxsa = pc_sa * znsa / ( pc_sa * znsa + pc_ocnv * znoc )
5046	pxocnv = pc_ocnv * znoc / ( pc_sa * znsa + pc_ocnv * znoc )
5047	ENDIF
5048	ENDIF
5049	!
5050	!-- The change in total vapour concentration is the sum of the concentrations of the vapours taking
5051	!-- part to the nucleation (depends on the chosen nucleation scheme)
5052	zdelta_vap = MIN( zjnuc * ( znoc + znsa ), ( pc_ocnv * zkocnv + pc_sa * zksa ) / ptstep )
5053	!
5054	!-- Nucleation rate J at ~1nm (#/m3s)
5055	zjnuc = zdelta_vap / ( znoc + znsa )
5056	!
5057	!-- H2SO4 concentration after nucleation (#/m3)
5058	zcsa_local = MAX( 1.0_wp, pc_sa - zdelta_vap * pxsa )
5059	!
5060	!-- Non-volative organic vapour concentration after nucleation (#/m3)
5061	zcocnv_local = MAX( 1.0_wp, pc_ocnv - zdelta_vap * pxocnv )
5062	!
5063	!-- 2.2) Formation rate of 3 nm particles (Kerminen & Kulmala, 2002)
5064	!
5065	!-- Growth rate by H2SO4 and organic vapour (nm/h, Eq. 21)
5066	z_gr_clust = 2.3623E-15_wp * SQRT( ptemp ) * ( zcsa_local + zcocnv_local )
5067	!
5068	!-- 2.2.2) Condensational sink of pre-existing particle population
5069	!
5070	!-- Diffusion coefficient (m2/s)
5071	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
5072	!
5073	!-- Mean free path of condensing vapour (m) (Jacobson (2005), Eq. 15.25 and 16.29)
5074	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
5075	!
5076	!-- Knudsen number
5077	zknud = 2.0_wp * zmfp / ( paero(:)%dwet + d_sa )
5078	!
5079	!-- Transitional regime correction factor (zbeta) according to Fuchs and Sutugin (1971) (Eq. 4 in
5080	!-- Kerminen and Kulmala, 2002)
5081	zbeta = ( zknud + 1.0_wp) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
5082	( zknud + zknud**2 ) )
5083	!
5084	!-- Condensational sink (#/m2, Eq. 3)
5085	zcsink = SUM( paero(:)%dwet * zbeta * paero(:)%numc )
5086	!
5087	!-- 2.2.3) Parameterised formation rate of detectable 3 nm particles (i.e. J3)
5088	IF ( nj3 == 1 ) THEN ! Kerminen and Kulmala (2002)
5089	!
5090	!-- Constants needed for the parameterisation: dapp = 3 nm and dens_nuc = 1830 kg/m3
5091	IF ( zcsink < 1.0E-30_wp ) THEN
5092	zeta = 0._dp
5093	ELSE
5094	!
5095	!-- Mean diameter of backgroud population (nm)
5096	zdmean = 1.0_wp / SUM( paero(:)%numc ) * SUM( paero(:)%numc * paero(:)%dwet ) * 1.0E+9_wp
5097	!
5098	!-- Proportionality factor (nm2*m2/h) (Eq. 22)
5099	zgamma = 0.23_wp * ( zdcrit * 1.0E+9_wp )*0.2_wp ( zdmean / 150.0_wp )*0.048_wp &
5100	( ptemp / 293.0_wp )*( -0.75_wp ) ( arhoh2so4 / 1000.0_wp )**( -0.33_wp )
5101	!
5102	!-- Factor eta (nm, Eq. 11)
5103	zeta = MIN( zgamma * zcsink / z_gr_clust, zdcrit * 1.0E11_wp )
5104	ENDIF
5105	!
5106	!-- Number conc. of clusters surviving to 3 nm in a time step (#/m3, Eq.14)
5107	zj3 = zjnuc * EXP( MIN( 0.0_wp, zeta / 3.0_wp - zeta / ( zdcrit * 1.0E9_wp ) ) )
5108
5109	ELSEIF ( nj3 > 1 ) THEN ! Lehtinen et al. (2007) or Anttila et al. (2010)
5110	!
5111	!-- Defining the parameter m (zm_para) for calculating the coagulation sink onto background
5112	!-- particles (Eq. 5&6 in Lehtinen et al. 2007). The growth is investigated between
5113	!-- [d1,reglim(1)] = [zdcrit,3nm] and m = LOG( CoagS_dx / CoagX_zdcrit ) / LOG( reglim / zdcrit )
5114	!-- (Lehtinen et al. 2007, Eq. 6).
5115	!-- The steps for the coagulation sink for reglim = 3nm and zdcrit ~= 1nm are explained in
5116	!-- Kulmala et al. (2001). The particles of diameter zdcrit ~1.14 nm and reglim = 3nm are both
5117	!-- in turn the "number 1" variables (Kulmala et al. 2001).
5118	!-- c = critical (1nm), x = 3nm, 2 = wet or mean droplet
5119	!
5120	!-- Sum of the radii, R12 = R1 + R2 (m) of two particles 1 and 2
5121	z_r_c2 = zdcrit / 2.0_wp + paero(:)%dwet / 2.0_wp
5122	z_r_x2 = reglim(1) / 2.0_wp + paero(:)%dwet / 2.0_wp
5123	!
5124	!-- Particle mass (kg) (comes only from H2SO4)
5125	zm_c = 4.0_wp / 3.0_wp * pi * ( zdcrit / 2.0_wp )*3 arhoh2so4
5126	zm_x = 4.0_wp / 3.0_wp * pi * ( reglim(1) / 2.0_wp )*3 arhoh2so4
5127	zm_2 = 4.0_wp / 3.0_wp * pi * ( 0.5_wp * paero(:)%dwet )*3 arhoh2so4
5128	!
5129	!-- Mean relative thermal velocity between the particles (m/s)
5130	zcv_c = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_c ) )
5131	zcv_x = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_x ) )
5132	zcv_2 = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_2 ) )
5133	!
5134	!-- Average velocity after coagulation
5135	zcv_c2(:) = SQRT( zcv_c2 + zcv_22 )
5136	zcv_x2(:) = SQRT( zcv_x2 + zcv_22 )
5137	!
5138	!-- Knudsen number (zmfp = mean free path of condensing vapour)
5139	zknud_c = 2.0_wp * zmfp / zdcrit
5140	zknud_x = 2.0_wp * zmfp / reglim(1)
5141	zknud_2(:) = MAX( 0.0_wp, 2.0_wp * zmfp / paero(:)%dwet )
5142	!
5143	!-- Cunningham correction factors (Allen and Raabe, 1985)
5144	zcc_c = 1.0_wp + zknud_c * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_c ) )
5145	zcc_x = 1.0_wp + zknud_x * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_x ) )
5146	zcc_2(:) = 1.0_wp + zknud_2(:) * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_2(:) ) )
5147	!
5148	!-- Gas dynamic viscosity (Ns/m2). Here, viscocity(air @20C) = 1.81e-5_dp N/m2 s (Hinds, p. 25)
5149	zmyy = 1.81E-5_wp * ( ptemp / 293.0_wp )**0.74_wp
5150	!
5151	!-- Particle diffusion coefficient (m2/s) (continuum regime)
5152	zdc_c(:) = abo * ptemp * zcc_c / ( 3.0_wp * pi * zmyy * zdcrit )
5153	zdc_x(:) = abo * ptemp * zcc_x / ( 3.0_wp * pi * zmyy * reglim(1) )
5154	zdc_2(:) = abo * ptemp * zcc_2(:) / ( 3.0_wp * pi * zmyy * paero(:)%dwet )
5155	!
5156	!-- D12 = D1+D2 (Seinfield and Pandis, 2nd ed. Eq. 13.38)
5157	zdc_c2 = zdc_c + zdc_2
5158	zdc_x2 = zdc_x + zdc_2
5159	!
5160	!-- zgamma_f = 8*D/pi/zcv (m) for calculating zomega (Fuchs, 1964)
5161	zgamma_f_c = 8.0_wp * zdc_c / pi / zcv_c
5162	zgamma_f_x = 8.0_wp * zdc_x / pi / zcv_x
5163	zgamma_f_2 = 8.0_wp * zdc_2 / pi / zcv_2
5164	!
5165	!-- zomega (m) for calculating zsigma
5166	zomega_c = ( ( z_r_c2 + zgamma_f_c )3 - ( z_r_c2 2 + zgamma_f_c )**1.5_wp ) / &
5167	( 3.0_wp * z_r_c2 * zgamma_f_c ) - z_r_c2
5168	zomega_x = ( ( z_r_x2 + zgamma_f_x )3 - ( z_r_x22 + zgamma_f_x )** 1.5_wp ) / &
5169	( 3.0_wp * z_r_x2 * zgamma_f_x ) - z_r_x2
5170	zomega_2c = ( ( z_r_c2 + zgamma_f_2 )3 - ( z_r_c22 + zgamma_f_2 )**1.5_wp ) / &
5171	( 3.0_wp * z_r_c2 * zgamma_f_2 ) - z_r_c2
5172	zomega_2x = ( ( z_r_x2 + zgamma_f_2 )3 - ( z_r_x22 + zgamma_f_2 )**1.5_wp ) / &
5173	( 3.0_wp * z_r_x2 * zgamma_f_2 ) - z_r_x2
5174	!
5175	!-- The distance (m) at which the two fluxes are matched (condensation and coagulation sinks)
5176	zsigma_c2 = SQRT( zomega_c2 + zomega_2c2 )
5177	zsigma_x2 = SQRT( zomega_x2 + zomega_2x2 )
5178	!
5179	!-- Coagulation coefficient in the continuum regime (m*m2/s, Eq. 17 in Kulmala et al., 2001)
5180	z_k_c2 = 4.0_wp * pi * z_r_c2 * zdc_c2 / ( z_r_c2 / ( z_r_c2 + zsigma_c2 ) + &
5181	4.0_wp * zdc_c2 / ( zcv_c2 * z_r_c2 ) )
5182	z_k_x2 = 4.0_wp * pi * z_r_x2 * zdc_x2 / ( z_r_x2 / ( z_r_x2 + zsigma_x2 ) + &
5183	4.0_wp * zdc_x2 / ( zcv_x2 * z_r_x2 ) )
5184	!
5185	!-- Coagulation sink (1/s, Eq. 16 in Kulmala et al., 2001)
5186	zcoags_c = MAX( 1.0E-20_wp, SUM( z_k_c2 * paero(:)%numc ) )
5187	zcoags_x = MAX( 1.0E-20_wp, SUM( z_k_x2 * paero(:)%numc ) )
5188	!
5189	!-- Parameter m for calculating the coagulation sink onto background particles (Eq. 5&6 in
5190	!-- Lehtinen et al. 2007)
5191	zm_para = LOG( zcoags_x / zcoags_c ) / LOG( reglim(1) / zdcrit )
5192	!
5193	!-- Parameter gamma for calculating the formation rate J of particles having
5194	!-- a diameter zdcrit < d < reglim(1) (Anttila et al. 2010, eq. 5 or Lehtinen et al.,2007, eq. 7)
5195	zgamma = ( ( ( reglim(1) / zdcrit )**( zm_para + 1.0_wp ) ) - 1.0_wp ) / ( zm_para + 1.0_wp )
5196
5197	IF ( nj3 == 2 ) THEN ! Lehtinen et al. (2007): coagulation sink
5198	!
5199	!-- Formation rate J before iteration (#/m3s)
5200	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoags_c / ( z_gr_clust * 1.0E-9_wp / &
5201	60.0_wp**2 ) ) )
5202
5203	ELSEIF ( nj3 == 3 ) THEN ! Anttila et al. (2010): coagulation sink and self-coag.
5204	!
5205	!-- If air is polluted, the self-coagulation becomes important. Self-coagulation of small
5206	!-- particles < 3 nm.
5207	!
5208	!-- "Effective" coagulation coefficient between freshly-nucleated particles:
5209	z_k_eff = 5.0E-16_wp ! m3/s
5210	!
5211	!-- zlambda parameter for "adjusting" the growth rate due to the self-coagulation
5212	zlambda = 6.0_wp
5213
5214	IF ( reglim(1) >= 10.0E-9_wp ) THEN ! for particles >10 nm:
5215	z_k_eff = 5.0E-17_wp
5216	zlambda = 3.0_wp
5217	ENDIF
5218	!
5219	!-- Initial values for coagulation sink and growth rate (m/s)
5220	zcoagstot = zcoags_c
5221	z_gr_tot = z_gr_clust * 1.0E-9_wp / 60.0_wp**2
5222	!
5223	!-- Number of clusters/particles at the size range [d1,dx] (#/m3):
5224	z_n_nuc = zjnuc / zcoagstot !< Initial guess
5225	!
5226	!-- Coagulation sink and growth rate due to self-coagulation:
5227	DO iteration = 1, 5
5228	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s, Anttila et al., eq. 1)
5229	z_gr_tot = z_gr_clust * 2.77777777E-7_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
5230	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 2.77777777E-7_wp ! (Eq. 3)
5231	zeta = - zcoagstot / ( ( zm_para + 1.0_wp ) * z_gr_tot * ( zdcrit**zm_para ) ) ! (Eq.7b)
5232	!
5233	!-- Calculate Eq. 7a (Taylor series for the number of particles between [d1,dx])
5234	z_n_nuc = z_n_nuc_tayl( zdcrit, reglim(1), zm_para, zjnuc, zeta, z_gr_tot )
5235	ENDDO
5236	!
5237	!-- Calculate the final values with new z_n_nuc:
5238	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s)
5239	z_gr_tot = z_gr_clust * 1.0E-9_wp / 3600.0_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
5240	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 1.0E-9_wp / 3600.0_wp !< (m/s)
5241	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoagstot / z_gr_tot ) ) ! (#/m3s, Eq.5a)
5242
5243	ENDIF
5244	ENDIF
5245	!
5246	!-- If J3 very small (< 1 #/cm3), neglect particle formation. In real atmosphere this would mean
5247	!-- that clusters form but coagulate to pre-existing particles who gain sulphate. Since
5248	!-- CoagS ~ CS (4piDCS'), we do not* update H2SO4 concentration here but let condensation take
5249	!-- care of it. Formation mass rate of molecules (molec/m3s) for 1: H2SO4 and 2: organic vapour
5250	pj3n3(1) = zj3 * n3 * pxsa
5251	pj3n3(2) = zj3 * n3 * pxocnv
5252
5253	END SUBROUTINE nucleation
5254
5255	!------------------------------------------------------------------------------!
5256	! Description:
5257	! ------------
5258	!> Calculate the nucleation rate and the size of critical clusters assuming
5259	!> binary nucleation.
5260	!> Parametrisation according to Vehkamaki et al. (2002), J. Geophys. Res.,
5261	!> 107(D22), 4622. Called from subroutine nucleation.
5262	!------------------------------------------------------------------------------!
5263	SUBROUTINE binnucl( pc_sa, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, pk_sa, &
5264	pk_ocnv )
5265
5266	IMPLICIT NONE
5267
5268	REAL(wp) :: za !<
5269	REAL(wp) :: zb !<
5270	REAL(wp) :: zc !<
5271	REAL(wp) :: zcoll !<
5272	REAL(wp) :: zlogsa !< LOG( zpcsa )
5273	REAL(wp) :: zlogrh !< LOG( zrh )
5274	REAL(wp) :: zm1 !<
5275	REAL(wp) :: zm2 !<
5276	REAL(wp) :: zma !<
5277	REAL(wp) :: zmw !<
5278	REAL(wp) :: zntot !< number of molecules in critical cluster
5279	REAL(wp) :: zpcsa !< sulfuric acid concentration
5280	REAL(wp) :: zrh !< relative humidity
5281	REAL(wp) :: zroo !<
5282	REAL(wp) :: zt !< temperature
5283	REAL(wp) :: zv1 !<
5284	REAL(wp) :: zv2 !<
5285	REAL(wp) :: zx !< mole fraction of sulphate in critical cluster
5286	REAL(wp) :: zxmass !<
5287
5288	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
5289	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1
5290	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5291
5292	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5293	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5294	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5295	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
5296	REAL(wp), INTENT(out) :: pk_sa !< Lever: if pk_sa = 1, H2SO4 is involved in nucleation.
5297	REAL(wp), INTENT(out) :: pk_ocnv !< Lever: if pk_ocnv = 1, organic compounds are involved
5298
5299	pnuc_rate = 0.0_wp
5300	pd_crit = 1.0E-9_wp
5301	!
5302	!-- 1) Checking that we are in the validity range of the parameterization
5303	zpcsa = MAX( pc_sa, 1.0E4_wp )
5304	zpcsa = MIN( zpcsa, 1.0E11_wp )
5305	zrh = MAX( prh, 0.0001_wp )
5306	zrh = MIN( zrh, 1.0_wp )
5307	zt = MAX( ptemp, 190.15_wp )
5308	zt = MIN( zt, 300.15_wp )
5309
5310	zlogsa = LOG( zpcsa )
5311	zlogrh = LOG( prh )
5312	!
5313	!-- 2) Mole fraction of sulphate in a critical cluster (Eq. 11)
5314	zx = 0.7409967177282139_wp - 0.002663785665140117_wp * zt + &
5315	0.002010478847383187_wp * zlogrh - 0.0001832894131464668_wp* zt * zlogrh + &
5316	0.001574072538464286_wp * zlogrh*2 - 0.00001790589121766952_wp zt * zlogrh**2 + &
5317	0.0001844027436573778_wp * zlogrh*3 - 1.503452308794887E-6_wp zt * zlogrh**3 - &
5318	0.003499978417957668_wp * zlogsa + 0.0000504021689382576_wp * zt * zlogsa
5319	!
5320	!-- 3) Nucleation rate (Eq. 12)
5321	pnuc_rate = 0.1430901615568665_wp + 2.219563673425199_wp * zt - &
5322	0.02739106114964264_wp * zt*2 + 0.00007228107239317088_wp zt**3 + &
5323	5.91822263375044_wp / zx + 0.1174886643003278_wp * zlogrh + &
5324	0.4625315047693772_wp * zt * zlogrh - 0.01180591129059253_wp * zt*2 zlogrh + &
5325	0.0000404196487152575_wp * zt*3 zlogrh + &
5326	( 15.79628615047088_wp * zlogrh ) / zx - 0.215553951893509_wp * zlogrh**2 - &
5327	0.0810269192332194_wp * zt * zlogrh**2 + &
5328	0.001435808434184642_wp * zt*2 zlogrh**2 - &
5329	4.775796947178588E-6_wp * zt*3 zlogrh**2 - &
5330	( 2.912974063702185_wp * zlogrh*2 ) / zx - 3.588557942822751_wp zlogrh**3 + &
5331	0.04950795302831703_wp * zt * zlogrh**3 - &
5332	0.0002138195118737068_wp * zt*2 zlogrh**3 + &
5333	3.108005107949533E-7_wp * zt*3 zlogrh**3 - &
5334	( 0.02933332747098296_wp * zlogrh*3 ) / zx + 1.145983818561277_wp zlogsa - &
5335	0.6007956227856778_wp * zt * zlogsa + 0.00864244733283759_wp * zt*2 zlogsa - &
5336	0.00002289467254710888_wp * zt*3 zlogsa - &
5337	( 8.44984513869014_wp * zlogsa ) / zx + 2.158548369286559_wp * zlogrh * zlogsa + &
5338	0.0808121412840917_wp * zt * zlogrh * zlogsa - &
5339	0.0004073815255395214_wp * zt*2 zlogrh * zlogsa - &
5340	4.019572560156515E-7_wp * zt*3 zlogrh * zlogsa + &
5341	( 0.7213255852557236_wp * zlogrh * zlogsa ) / zx + &
5342	1.62409850488771_wp * zlogrh*2 zlogsa - &
5343	0.01601062035325362_wp * zt * zlogrh*2 zlogsa + &
5344	0.00003771238979714162_wpzt2 zlogrh*2 zlogsa + &
5345	3.217942606371182E-8_wp * zt*3 zlogrh*2 zlogsa - &
5346	( 0.01132550810022116_wp * zlogrh*2 zlogsa ) / zx + &
5347	9.71681713056504_wp * zlogsa*2 - 0.1150478558347306_wp zt * zlogsa**2 + &
5348	0.0001570982486038294_wp * zt*2 zlogsa**2 + &
5349	4.009144680125015E-7_wp * zt*3 zlogsa**2 + &
5350	( 0.7118597859976135_wp * zlogsa**2 ) / zx - &
5351	1.056105824379897_wp * zlogrh * zlogsa**2 + &
5352	0.00903377584628419_wp * zt * zlogrh * zlogsa**2 - &
5353	0.00001984167387090606_wp * zt*2 zlogrh * zlogsa**2 + &
5354	2.460478196482179E-8_wp * zt*3 zlogrh * zlogsa**2 - &
5355	( 0.05790872906645181_wp * zlogrh * zlogsa**2 ) / zx - &
5356	0.1487119673397459_wp * zlogsa*3 + 0.002835082097822667_wp zt * zlogsa**3 - &
5357	9.24618825471694E-6_wp * zt*2 zlogsa**3 + &
5358	5.004267665960894E-9_wp * zt*3 zlogsa**3 - &
5359	( 0.01270805101481648_wp * zlogsa**3 ) / zx
5360	!
5361	!-- Nucleation rate in #/(cm3 s)
5362	pnuc_rate = EXP( pnuc_rate )
5363	!
5364	!-- Check the validity of parameterization
5365	IF ( pnuc_rate < 1.0E-7_wp ) THEN
5366	pnuc_rate = 0.0_wp
5367	pd_crit = 1.0E-9_wp
5368	ENDIF
5369	!
5370	!-- 4) Total number of molecules in the critical cluster (Eq. 13)
5371	zntot = - 0.002954125078716302_wp - 0.0976834264241286_wp * zt + &
5372	0.001024847927067835_wp * zt*2 - 2.186459697726116E-6_wp zt**3 - &
5373	0.1017165718716887_wp / zx - 0.002050640345231486_wp * zlogrh - &
5374	0.007585041382707174_wp * zt * zlogrh + 0.0001926539658089536_wp * zt*2 zlogrh - &
5375	6.70429719683894E-7_wp * zt*3 zlogrh - ( 0.2557744774673163_wp * zlogrh ) / zx + &
5376	0.003223076552477191_wp * zlogrh*2 + 0.000852636632240633_wp zt * zlogrh**2 - &
5377	0.00001547571354871789_wp * zt*2 zlogrh**2 + &
5378	5.666608424980593E-8_wp * zt*3 zlogrh**2 + &
5379	( 0.03384437400744206_wp * zlogrh**2 ) / zx + &
5380	0.04743226764572505_wp * zlogrh*3 - 0.0006251042204583412_wp zt * zlogrh**3 + &
5381	2.650663328519478E-6_wp * zt*2 zlogrh**3 - &
5382	3.674710848763778E-9_wp * zt*3 zlogrh**3 - &
5383	( 0.0002672510825259393_wp * zlogrh*3 ) / zx - 0.01252108546759328_wp zlogsa + &
5384	0.005806550506277202_wp * zt * zlogsa - 0.0001016735312443444_wp * zt*2 zlogsa + &
5385	2.881946187214505E-7_wp * zt*3 zlogsa + ( 0.0942243379396279_wp * zlogsa ) / zx - &
5386	0.0385459592773097_wp * zlogrh * zlogsa - &
5387	0.0006723156277391984_wp * zt * zlogrh * zlogsa + &
5388	2.602884877659698E-6_wp * zt*2 zlogrh * zlogsa + &
5389	1.194163699688297E-8_wp * zt*3 zlogrh * zlogsa - &
5390	( 0.00851515345806281_wp * zlogrh * zlogsa ) / zx - &
5391	0.01837488495738111_wp * zlogrh*2 zlogsa + &
5392	0.0001720723574407498_wp * zt * zlogrh*2 zlogsa - &
5393	3.717657974086814E-7_wp * zt*2 zlogrh*2 zlogsa - &
5394	5.148746022615196E-10_wp * zt*3 zlogrh*2 zlogsa + &
5395	( 0.0002686602132926594_wp * zlogrh*2 zlogsa ) / zx - &
5396	0.06199739728812199_wp * zlogsa*2 + 0.000906958053583576_wp zt * zlogsa**2 - &
5397	9.11727926129757E-7_wp * zt*2 zlogsa**2 - &
5398	5.367963396508457E-9_wp * zt*3 zlogsa**2 - &
5399	( 0.007742343393937707_wp * zlogsa**2 ) / zx + &
5400	0.0121827103101659_wp * zlogrh * zlogsa**2 - &
5401	0.0001066499571188091_wp * zt * zlogrh * zlogsa**2 + &
5402	2.534598655067518E-7_wp * zt*2 zlogrh * zlogsa**2 - &
5403	3.635186504599571E-10_wp * zt*3 zlogrh * zlogsa**2 + &
5404	( 0.0006100650851863252_wp * zlogrh * zlogsa **2 ) / zx + &
5405	0.0003201836700403512_wp * zlogsa*3 - 0.0000174761713262546_wp zt * zlogsa**3 + &
5406	6.065037668052182E-8_wp * zt*2 zlogsa**3 - &
5407	1.421771723004557E-11_wp * zt*3 zlogsa**3 + &
5408	( 0.0001357509859501723_wp * zlogsa**3 ) / zx
5409	zntot = EXP( zntot ) ! in #
5410	!
5411	!-- 5) Size of the critical cluster pd_crit (m) (diameter) (Eq. 14)
5412	pn_crit_sa = zx * zntot
5413	pd_crit = 2.0E-9_wp * EXP( -1.6524245_wp + 0.42316402_wp * zx + 0.33466487_wp * LOG( zntot ) )
5414	!
5415	!-- 6) Organic compounds not involved when binary nucleation is assumed
5416	pn_crit_ocnv = 0.0_wp ! number of organic molecules
5417	pk_sa = 1.0_wp ! if = 1, H2SO4 involved in nucleation
5418	pk_ocnv = 0.0_wp ! if = 1, organic compounds involved
5419	!
5420	!-- Set nucleation rate to collision rate
5421	IF ( pn_crit_sa < 4.0_wp ) THEN
5422	!
5423	!-- Volumes of the colliding objects
5424	zma = 96.0_wp ! molar mass of SO4 in g/mol
5425	zmw = 18.0_wp ! molar mass of water in g/mol
5426	zxmass = 1.0_wp ! mass fraction of H2SO4
5427	za = 0.7681724_wp + zxmass * ( 2.1847140_wp + zxmass * &
5428	( 7.1630022_wp + zxmass * &
5429	( -44.31447_wp + zxmass * &
5430	( 88.75606 + zxmass * &
5431	( -75.73729_wp + zxmass * 23.43228_wp ) ) ) ) )
5432	zb = 1.808225E-3_wp + zxmass * ( -9.294656E-3_wp + zxmass * &
5433	( -0.03742148_wp + zxmass * &
5434	( 0.2565321_wp + zxmass * &
5435	( -0.5362872_wp + zxmass * &
5436	( 0.4857736 - zxmass * 0.1629592_wp ) ) ) ) )
5437	zc = - 3.478524E-6_wp + zxmass * ( 1.335867E-5_wp + zxmass * &
5438	( 5.195706E-5_wp + zxmass * &
5439	( -3.717636E-4_wp + zxmass * &
5440	( 7.990811E-4_wp + zxmass * &
5441	( -7.458060E-4_wp + zxmass * 2.58139E-4_wp ) ) ) ) )
5442	!
5443	!-- Density for the sulphuric acid solution (Eq. 10 in Vehkamaki)
5444	zroo = ( za + zt * ( zb + zc * zt ) ) * 1.0E+3_wp ! (kg/m^3
5445	zm1 = 0.098_wp ! molar mass of H2SO4 in kg/mol
5446	zm2 = zm1
5447	zv1 = zm1 / avo / zroo ! volume
5448	zv2 = zv1
5449	!
5450	!-- Collision rate
5451	zcoll = zpcsa * zpcsa * ( 3.0_wp * pi / 4.0_wp )*0.16666666_wp &
5452	SQRT( 6.0_wp * argas * zt / zm1 + 6.0_wp * argas * zt / zm2 ) * &
5453	( zv10.33333333_wp + zv20.33333333_wp )*2 1.0E+6_wp ! m3 -> cm3
5454	zcoll = MIN( zcoll, 1.0E+10_wp )
5455	pnuc_rate = zcoll ! (#/(cm3 s))
5456
5457	ELSE
5458	pnuc_rate = MIN( pnuc_rate, 1.0E+10_wp )
5459	ENDIF
5460	pnuc_rate = pnuc_rate * 1.0E+6_wp ! (#/(m3 s))
5461
5462	END SUBROUTINE binnucl
5463
5464	!------------------------------------------------------------------------------!
5465	! Description:
5466	! ------------
5467	!> Calculate the nucleation rate and the size of critical clusters assuming
5468	!> ternary nucleation. Parametrisation according to:
5469	!> Napari et al. (2002), J. Chem. Phys., 116, 4221-4227 and
5470	!> Napari et al. (2002), J. Geophys. Res., 107(D19), AAC 6-1-ACC 6-6.
5471	!------------------------------------------------------------------------------!
5472	SUBROUTINE ternucl( pc_sa, pc_nh3, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, &
5473	pk_sa, pk_ocnv )
5474
5475	IMPLICIT NONE
5476
5477	REAL(wp) :: zlnj !< logarithm of nucleation rate
5478	REAL(wp) :: zlognh3 !< LOG( pc_nh3 )
5479	REAL(wp) :: zlogrh !< LOG( prh )
5480	REAL(wp) :: zlogsa !< LOG( pc_sa )
5481
5482	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia mixing ratio (ppt)
5483	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
5484	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
5485	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5486
5487	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
5488	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5489	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5490	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5491	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5492	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5493	!
5494	!-- 1) Checking that we are in the validity range of the parameterization.
5495	!-- Validity of parameterization : DO NOT REMOVE!
5496	IF ( ptemp < 240.0_wp .OR. ptemp > 300.0_wp ) THEN
5497	message_string = 'Invalid input value: ptemp'
5498	CALL message( 'salsa_mod: ternucl', 'PA0648', 1, 2, 0, 6, 0 )
5499	ENDIF
5500	IF ( prh < 0.05_wp .OR. prh > 0.95_wp ) THEN
5501	message_string = 'Invalid input value: prh'
5502	CALL message( 'salsa_mod: ternucl', 'PA0649', 1, 2, 0, 6, 0 )
5503	ENDIF
5504	IF ( pc_sa < 1.0E+4_wp .OR. pc_sa > 1.0E+9_wp ) THEN
5505	message_string = 'Invalid input value: pc_sa'
5506	CALL message( 'salsa_mod: ternucl', 'PA0650', 1, 2, 0, 6, 0 )
5507	ENDIF
5508	IF ( pc_nh3 < 0.1_wp .OR. pc_nh3 > 100.0_wp ) THEN
5509	message_string = 'Invalid input value: pc_nh3'
5510	CALL message( 'salsa_mod: ternucl', 'PA0651', 1, 2, 0, 6, 0 )
5511	ENDIF
5512
5513	zlognh3 = LOG( pc_nh3 )
5514	zlogrh = LOG( prh )
5515	zlogsa = LOG( pc_sa )
5516	!
5517	!-- 2) Nucleation rate (Eq. 7 in Napari et al., 2002: Parameterization of
5518	!-- ternary nucleation of sulfuric acid - ammonia - water.
5519	zlnj = - 84.7551114741543_wp + 0.3117595133628944_wp * prh + &
5520	1.640089605712946_wp * prh * ptemp - 0.003438516933381083_wp * prh * ptemp**2 - &
5521	0.00001097530402419113_wp * prh * ptemp**3 - 0.3552967070274677_wp / zlogsa - &
5522	( 0.06651397829765026_wp * prh ) / zlogsa - ( 33.84493989762471_wp * ptemp ) / zlogsa - &
5523	( 7.823815852128623_wp * prh * ptemp ) / zlogsa + &
5524	( 0.3453602302090915_wp * ptemp**2 ) / zlogsa + &
5525	( 0.01229375748100015_wp * prh * ptemp**2 ) / zlogsa - &
5526	( 0.000824007160514956_wp ptemp*3 ) / zlogsa + &
5527	( 0.00006185539100670249_wp * prh * ptemp**3 ) / zlogsa + &
5528	3.137345238574998_wp * zlogsa + 3.680240980277051_wp * prh * zlogsa - &
5529	0.7728606202085936_wp * ptemp * zlogsa - 0.204098217156962_wp * prh * ptemp * zlogsa + &
5530	0.005612037586790018_wp * ptemp*2 zlogsa + &
5531	0.001062588391907444_wp * prh * ptemp*2 zlogsa - &
5532	9.74575691760229E-6_wp * ptemp*3 zlogsa - &
5533	1.265595265137352E-6_wp * prh * ptemp*3 zlogsa + 19.03593713032114_wp * zlogsa**2 - &
5534	0.1709570721236754_wp * ptemp * zlogsa**2 + &
5535	0.000479808018162089_wp * ptemp*2 zlogsa**2 - &
5536	4.146989369117246E-7_wp * ptemp*3 zlogsa*2 + 1.076046750412183_wp zlognh3 + &
5537	0.6587399318567337_wp * prh * zlognh3 + 1.48932164750748_wp * ptemp * zlognh3 + &
5538	0.1905424394695381_wp * prh * ptemp * zlognh3 - &
5539	0.007960522921316015_wp * ptemp*2 zlognh3 - &
5540	0.001657184248661241_wp * prh * ptemp*2 zlognh3 + &
5541	7.612287245047392E-6_wp * ptemp*3 zlognh3 + &
5542	3.417436525881869E-6_wp * prh * ptemp*3 zlognh3 + &
5543	( 0.1655358260404061_wp * zlognh3 ) / zlogsa + &
5544	( 0.05301667612522116_wp * prh * zlognh3 ) / zlogsa + &
5545	( 3.26622914116752_wp * ptemp * zlognh3 ) / zlogsa - &
5546	( 1.988145079742164_wp * prh * ptemp * zlognh3 ) / zlogsa - &
5547	( 0.04897027401984064_wp * ptemp*2 zlognh3 ) / zlogsa + &
5548	( 0.01578269253599732_wp * prh * ptemp*2 zlognh3 ) / zlogsa + &
5549	( 0.0001469672236351303_wp * ptemp*3 zlognh3 ) / zlogsa - &
5550	( 0.00002935642836387197_wp * prh * ptemp*3 zlognh3 ) / zlogsa + &
5551	6.526451177887659_wp * zlogsa * zlognh3 - &
5552	0.2580021816722099_wp * ptemp * zlogsa * zlognh3 + &
5553	0.001434563104474292_wp * ptemp*2 zlogsa * zlognh3 - &
5554	2.020361939304473E-6_wp * ptemp*3 zlogsa * zlognh3 - &
5555	0.160335824596627_wp * zlogsa*2 zlognh3 + &
5556	0.00889880721460806_wp * ptemp * zlogsa*2 zlognh3 - &
5557	0.00005395139051155007_wp * ptemp*2 zlogsa*2 zlognh3 + &
5558	8.39521718689596E-8_wp * ptemp*3 zlogsa*2 zlognh3 + &
5559	6.091597586754857_wp * zlognh3*2 + 8.5786763679309_wp prh * zlognh3**2 - &
5560	1.253783854872055_wp * ptemp * zlognh3**2 - &
5561	0.1123577232346848_wp * prh * ptemp * zlognh3**2 + &
5562	0.00939835595219825_wp * ptemp*2 zlognh3**2 + &
5563	0.0004726256283031513_wp * prh * ptemp*2 zlognh3**2 - &
5564	0.00001749269360523252_wp * ptemp*3 zlognh3**2 - &
5565	6.483647863710339E-7_wp * prh * ptemp*3 zlognh3**2 + &
5566	( 0.7284285726576598_wp * zlognh3**2 ) / zlogsa + &
5567	( 3.647355600846383_wp * ptemp * zlognh3**2 ) / zlogsa - &
5568	( 0.02742195276078021_wp * ptemp*2 zlognh3**2 ) / zlogsa + &
5569	( 0.00004934777934047135_wp * ptemp*3 zlognh3**2 ) / zlogsa + &
5570	41.30162491567873_wp * zlogsa * zlognh3**2 - &
5571	0.357520416800604_wp * ptemp * zlogsa * zlognh3**2 + &
5572	0.000904383005178356_wp * ptemp*2 zlogsa * zlognh3**2 - &
5573	5.737876676408978E-7_wp * ptemp*3 zlogsa * zlognh3**2 - &
5574	2.327363918851818_wp * zlogsa*2 zlognh3**2 + &
5575	0.02346464261919324_wp * ptemp * zlogsa*2 zlognh3**2 - &
5576	0.000076518969516405_wp * ptemp*2 zlogsa*2 zlognh3**2 + &
5577	8.04589834836395E-8_wp * ptemp*3 zlogsa*2 zlognh3**2 - &
5578	0.02007379204248076_wp * zlogrh - 0.7521152446208771_wp * ptemp * zlogrh + &
5579	0.005258130151226247_wp * ptemp*2 zlogrh - &
5580	8.98037634284419E-6_wp * ptemp*3 zlogrh + &
5581	( 0.05993213079516759_wp * zlogrh ) / zlogsa + &
5582	( 5.964746463184173_wp * ptemp * zlogrh ) / zlogsa - &
5583	( 0.03624322255690942_wp * ptemp*2 zlogrh ) / zlogsa + &
5584	( 0.00004933369382462509_wp * ptemp*3 zlogrh ) / zlogsa - &
5585	0.7327310805365114_wp * zlognh3 * zlogrh - &
5586	0.01841792282958795_wp * ptemp * zlognh3 * zlogrh + &
5587	0.0001471855981005184_wp * ptemp*2 zlognh3 * zlogrh - &
5588	2.377113195631848E-7_wp * ptemp*3 zlognh3 * zlogrh
5589	pnuc_rate = EXP( zlnj ) ! (#/(cm3 s))
5590	!
5591	!-- Check validity of parametrization
5592	IF ( pnuc_rate < 1.0E-5_wp ) THEN
5593	pnuc_rate = 0.0_wp
5594	pd_crit = 1.0E-9_wp
5595	ELSEIF ( pnuc_rate > 1.0E6_wp ) THEN
5596	message_string = 'Invalid output value: nucleation rate > 10^6 1/cm3s'
5597	CALL message( 'salsa_mod: ternucl', 'PA0623', 1, 2, 0, 6, 0 )
5598	ENDIF
5599	pnuc_rate = pnuc_rate * 1.0E6_wp ! (#/(m3 s))
5600	!
5601	!-- 3) Number of H2SO4 molecules in a critical cluster (Eq. 9)
5602	pn_crit_sa = 38.16448247950508_wp + 0.7741058259731187_wp * zlnj + &
5603	0.002988789927230632_wp * zlnj*2 - 0.3576046920535017_wp ptemp - &
5604	0.003663583011953248_wp * zlnj * ptemp + 0.000855300153372776_wp * ptemp**2
5605	!
5606	!-- Kinetic limit: at least 2 H2SO4 molecules in a cluster
5607	pn_crit_sa = MAX( pn_crit_sa, 2.0E0_wp )
5608	!
5609	!-- 4) Size of the critical cluster in nm (Eq. 12)
5610	pd_crit = 0.1410271086638381_wp - 0.001226253898894878_wp * zlnj - &
5611	7.822111731550752E-6_wp * zlnj*2 - 0.001567273351921166_wp ptemp - &
5612	0.00003075996088273962_wp * zlnj * ptemp + 0.00001083754117202233_wp * ptemp**2
5613	pd_crit = pd_crit * 2.0E-9_wp ! Diameter in m
5614	!
5615	!-- 5) Organic compounds not involved when ternary nucleation assumed
5616	pn_crit_ocnv = 0.0_wp
5617	pk_sa = 1.0_wp
5618	pk_ocnv = 0.0_wp
5619
5620	END SUBROUTINE ternucl
5621
5622	!------------------------------------------------------------------------------!
5623	! Description:
5624	! ------------
5625	!> Function z_n_nuc_tayl is connected to the calculation of self-coagualtion of
5626	!> small particles. It calculates number of the particles in the size range
5627	!> [zdcrit,dx] using Taylor-expansion (please note that the expansion is not
5628	!> valid for certain rational numbers, e.g. -4/3 and -3/2)
5629	!------------------------------------------------------------------------------!
5630	FUNCTION z_n_nuc_tayl( d1, dx, zm_para, zjnuc_t, zeta, z_gr_tot )
5631
5632	IMPLICIT NONE
5633
5634	INTEGER(iwp) :: i !< running index
5635
5636	REAL(wp) :: d1 !< lower diameter limit
5637	REAL(wp) :: dx !< upper diameter limit
5638	REAL(wp) :: zjnuc_t !< initial nucleation rate (1/s)
5639	REAL(wp) :: zeta !< ratio of CS/GR (m) (condensation sink / growth rate)
5640	REAL(wp) :: term1 !<
5641	REAL(wp) :: term2 !<
5642	REAL(wp) :: term3 !<
5643	REAL(wp) :: term4 !<
5644	REAL(wp) :: term5 !<
5645	REAL(wp) :: z_n_nuc_tayl !< final nucleation rate (1/s)
5646	REAL(wp) :: z_gr_tot !< total growth rate (nm/h)
5647	REAL(wp) :: zm_para !< m parameter in Lehtinen et al. (2007), Eq. 6
5648
5649	z_n_nuc_tayl = 0.0_wp
5650
5651	DO i = 0, 29
5652	IF ( i == 0 .OR. i == 1 ) THEN
5653	term1 = 1.0_wp
5654	ELSE
5655	term1 = term1 * REAL( i, SELECTED_REAL_KIND(12,307) )
5656	END IF
5657	term2 = ( REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp ) * term1
5658	term3 = zeta**i
5659	term4 = term3 / term2
5660	term5 = REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp
5661	z_n_nuc_tayl = z_n_nuc_tayl + term4 * ( dxterm5 - d1term5 )
5662	ENDDO
5663	z_n_nuc_tayl = z_n_nuc_tayl * zjnuc_t * EXP( -zeta * ( d1**( zm_para + 1 ) ) ) / z_gr_tot
5664
5665	END FUNCTION z_n_nuc_tayl
5666
5667	!------------------------------------------------------------------------------!
5668	! Description:
5669	! ------------
5670	!> Calculates the condensation of water vapour on aerosol particles. Follows the
5671	!> analytical predictor method by Jacobson (2005).
5672	!> For equations, see Jacobson (2005), Fundamentals of atmospheric modelling
5673	!> (2nd edition).
5674	!------------------------------------------------------------------------------!
5675	SUBROUTINE gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
5676
5677	IMPLICIT NONE
5678
5679	INTEGER(iwp) :: ib !< loop index
5680	INTEGER(iwp) :: nstr !<
5681
5682	REAL(wp) :: adt !< internal timestep in this subroutine
5683	REAL(wp) :: rhoair !< air density (kg/m3)
5684	REAL(wp) :: ttot !< total time (s)
5685	REAL(wp) :: zact !< Water activity
5686	REAL(wp) :: zaelwc1 !< Current aerosol water content (kg/m3)
5687	REAL(wp) :: zaelwc2 !< New aerosol water content after equilibrium calculation (kg/m3)
5688	REAL(wp) :: zbeta !< Transitional correction factor
5689	REAL(wp) :: zcwc !< Current water vapour mole concentration in aerosols (mol/m3)
5690	REAL(wp) :: zcwint !< Current and new water vapour mole concentrations (mol/m3)
5691	REAL(wp) :: zcwn !< New water vapour mole concentration (mol/m3)
5692	REAL(wp) :: zcwtot !< Total water mole concentration (mol/m3)
5693	REAL(wp) :: zdfh2o !< molecular diffusion coefficient (cm2/s) for water
5694	REAL(wp) :: zhlp1 !< intermediate variable to calculate the mass transfer coefficient
5695	REAL(wp) :: zhlp2 !< intermediate variable to calculate the mass transfer coefficient
5696	REAL(wp) :: zhlp3 !< intermediate variable to calculate the mass transfer coefficient
5697	REAL(wp) :: zknud !< Knudsen number
5698	REAL(wp) :: zmfph2o !< mean free path of H2O gas molecule
5699	REAL(wp) :: zrh !< relative humidity [0-1]
5700	REAL(wp) :: zthcond !< thermal conductivity of air (W/m/K)
5701
5702	REAL(wp), DIMENSION(nbins_aerosol) :: zcwcae !< Current water mole concentrations
5703	REAL(wp), DIMENSION(nbins_aerosol) :: zcwintae !< Current and new aerosol water mole concentration
5704	REAL(wp), DIMENSION(nbins_aerosol) :: zcwnae !< New water mole concentration in aerosols
5705	REAL(wp), DIMENSION(nbins_aerosol) :: zcwsurfae !< Surface mole concentration
5706	REAL(wp), DIMENSION(nbins_aerosol) :: zkelvin !< Kelvin effect
5707	REAL(wp), DIMENSION(nbins_aerosol) :: zmtae !< Mass transfer coefficients
5708	REAL(wp), DIMENSION(nbins_aerosol) :: zwsatae !< Water saturation ratio above aerosols
5709
5710	REAL(wp), INTENT(in) :: ppres !< Air pressure (Pa)
5711	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
5712	REAL(wp), INTENT(in) :: ptemp !< Ambient temperature (K)
5713	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
5714
5715	REAL(wp), INTENT(inout) :: pcw !< Water vapour concentration (kg/m3)
5716
5717	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
5718	!
5719	!-- Relative humidity [0-1]
5720	zrh = pcw / pcs
5721	!
5722	!-- Calculate the condensation only for 2a/2b aerosol bins
5723	nstr = start_subrange_2a
5724	!
5725	!-- Save the current aerosol water content, 8 in paero is H2O
5726	zaelwc1 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5727	!
5728	!-- Equilibration:
5729	IF ( advect_particle_water ) THEN
5730	IF ( zrh < 0.98_wp .OR. .NOT. lscndh2oae ) THEN
5731	CALL equilibration( zrh, ptemp, paero, .TRUE. )
5732	ELSE
5733	CALL equilibration( zrh, ptemp, paero, .FALSE. )
5734	ENDIF
5735	ENDIF
5736	!
5737	!-- The new aerosol water content after equilibrium calculation
5738	zaelwc2 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5739	!
5740	!-- New water vapour mixing ratio (kg/m3)
5741	pcw = pcw - ( zaelwc2 - zaelwc1 ) * ppres * amdair / ( argas * ptemp )
5742	!
5743	!-- Initialise variables
5744	zcwsurfae(:) = 0.0_wp
5745	zhlp1 = 0.0_wp
5746	zhlp2 = 0.0_wp
5747	zhlp3 = 0.0_wp
5748	zmtae(:) = 0.0_wp
5749	zwsatae(:) = 0.0_wp
5750	!
5751	!-- Air:
5752	!-- Density (kg/m3)
5753	rhoair = amdair * ppres / ( argas * ptemp )
5754	!
5755	!-- Thermal conductivity of air
5756	zthcond = 0.023807_wp + 7.1128E-5_wp * ( ptemp - 273.16_wp )
5757	!
5758	!-- Water vapour:
5759	!-- Molecular diffusion coefficient (cm2/s) (eq.16.17)
5760	zdfh2o = ( 5.0_wp / ( 16.0_wp * avo * rhoair * 1.0E-3_wp * 3.11E-8_wp*2 ) ) SQRT( argas * &
5761	1.0E+7_wp * ptemp * amdair * 1.0E+3_wp * ( amh2o + amdair ) * 1.0E+3_wp / &
5762	( pi * amh2o * 2.0E+3_wp ) )
5763	zdfh2o = zdfh2o * 1.0E-4 ! Unit change to m^2/s
5764	!
5765	!-- Mean free path (eq. 15.25 & 16.29)
5766	zmfph2o = 3.0_wp * zdfh2o * SQRT( pi * amh2o / ( 8.0_wp * argas * ptemp ) )
5767	!
5768	!-- Kelvin effect (eq. 16.33)
5769	zkelvin(:) = EXP( 4.0_wp * surfw0 * amh2o / ( argas * ptemp * arhoh2o * paero(:)%dwet) )
5770
5771	DO ib = 1, nbins_aerosol
5772	IF ( paero(ib)%numc > nclim .AND. zrh > 0.98_wp ) THEN
5773	!
5774	!-- Water activity
5775	zact = acth2o( paero(ib) )
5776	!
5777	!-- Saturation mole concentration over flat surface. Limit the super-
5778	!-- saturation to max 1.01 for the mass transfer. Experimental!
5779	zcwsurfae(ib) = MAX( pcs, pcw / 1.01_wp ) * rhoair / amh2o
5780	!
5781	!-- Equilibrium saturation ratio
5782	zwsatae(ib) = zact * zkelvin(ib)
5783	!
5784	!-- Knudsen number (eq. 16.20)
5785	zknud = 2.0_wp * zmfph2o / paero(ib)%dwet
5786	!
5787	!-- Transitional correction factor (Fuks & Sutugin, 1971)
5788	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / &
5789	( 3.0_wp * massacc(ib) ) * ( zknud + zknud**2 ) )
5790	!
5791	!-- Mass transfer of H2O: Eq. 16.64 but here D^eff = zdfh2o * zbeta
5792	zhlp1 = paero(ib)%numc * 2.0_wp * pi * paero(ib)%dwet * zdfh2o * zbeta
5793	!
5794	!-- 1st term on the left side of the denominator in eq. 16.55
5795	zhlp2 = amh2o * zdfh2o * alv * zwsatae(ib) * zcwsurfae(ib) / ( zthcond * ptemp )
5796	!
5797	!-- 2nd term on the left side of the denominator in eq. 16.55
5798	zhlp3 = ( ( alv * amh2o ) / ( argas * ptemp ) ) - 1.0_wp
5799	!
5800	!-- Full eq. 16.64: Mass transfer coefficient (1/s)
5801	zmtae(ib) = zhlp1 / ( zhlp2 * zhlp3 + 1.0_wp )
5802	ENDIF
5803	ENDDO
5804	!
5805	!-- Current mole concentrations of water
5806	zcwc = pcw * rhoair / amh2o ! as vapour
5807	zcwcae(:) = paero(:)%volc(8) * arhoh2o / amh2o ! in aerosols
5808	zcwtot = zcwc + SUM( zcwcae ) ! total water concentration
5809	zcwnae(:) = 0.0_wp
5810	zcwintae(:) = zcwcae(:)
5811	!
5812	!-- Substepping loop
5813	zcwint = 0.0_wp
5814	ttot = 0.0_wp
5815	DO WHILE ( ttot < ptstep )
5816	adt = 2.0E-2_wp ! internal timestep
5817	!
5818	!-- New vapour concentration: (eq. 16.71)
5819	zhlp1 = zcwc + adt * ( SUM( zmtae(nstr:nbins_aerosol) * zwsatae(nstr:nbins_aerosol) * &
5820	zcwsurfae(nstr:nbins_aerosol) ) ) ! numerator
5821	zhlp2 = 1.0_wp + adt * ( SUM( zmtae(nstr:nbins_aerosol) ) ) ! denomin.
5822	zcwint = zhlp1 / zhlp2 ! new vapour concentration
5823	zcwint = MIN( zcwint, zcwtot )
5824	IF ( ANY( paero(:)%numc > nclim ) .AND. zrh > 0.98_wp ) THEN
5825	DO ib = nstr, nbins_aerosol
5826	zcwintae(ib) = zcwcae(ib) + MIN( MAX( adt * zmtae(ib) * ( zcwint - zwsatae(ib) * &
5827	zcwsurfae(ib) ), -0.02_wp * zcwcae(ib) ), &
5828	0.05_wp * zcwcae(ib) )
5829	zwsatae(ib) = acth2o( paero(ib), zcwintae(ib) ) * zkelvin(ib)
5830	ENDDO
5831	ENDIF
5832	zcwintae(nstr:nbins_aerosol) = MAX( zcwintae(nstr:nbins_aerosol), 0.0_wp )
5833	!
5834	!-- Update vapour concentration for consistency
5835	zcwint = zcwtot - SUM( zcwintae(1:nbins_aerosol) )
5836	!
5837	!-- Update "old" values for next cycle
5838	zcwcae = zcwintae
5839
5840	ttot = ttot + adt
5841
5842	ENDDO ! ADT
5843
5844	zcwn = zcwint
5845	zcwnae(:) = zcwintae(:)
5846	pcw = zcwn * amh2o / rhoair
5847	paero(:)%volc(8) = MAX( 0.0_wp, zcwnae(:) * amh2o / arhoh2o )
5848
5849	END SUBROUTINE gpparth2o
5850
5851	!------------------------------------------------------------------------------!
5852	! Description:
5853	! ------------
5854	!> Calculates the activity coefficient of liquid water
5855	!------------------------------------------------------------------------------!
5856	REAL(wp) FUNCTION acth2o( ppart, pcw )
5857
5858	IMPLICIT NONE
5859
5860	REAL(wp) :: zns !< molar concentration of solutes (mol/m3)
5861	REAL(wp) :: znw !< molar concentration of water (mol/m3)
5862
5863	REAL(wp), INTENT(in), OPTIONAL :: pcw !< molar concentration of water (mol/m3)
5864
5865	TYPE(t_section), INTENT(in) :: ppart !< Aerosol properties of a bin
5866
5867	zns = ( 3.0_wp * ( ppart%volc(1) * arhoh2so4 / amh2so4 ) + ( ppart%volc(2) * arhooc / amoc ) + &
5868	2.0_wp * ( ppart%volc(5) * arhoss / amss ) + ( ppart%volc(6) * arhohno3 / amhno3 ) + &
5869	( ppart%volc(7) * arhonh3 / amnh3 ) )
5870
5871	IF ( PRESENT(pcw) ) THEN
5872	znw = pcw
5873	ELSE
5874	znw = ppart%volc(8) * arhoh2o / amh2o
5875	ENDIF
5876	!
5877	!-- Activity = partial pressure of water vapour / sat. vapour pressure of water over a liquid surface
5878	!-- = molality * activity coefficient (Jacobson, 2005: eq. 17.20-21)
5879	!-- Assume activity coefficient of 1 for water
5880	acth2o = MAX( 0.1_wp, znw / MAX( EPSILON( 1.0_wp ),( znw + zns ) ) )
5881
5882	END FUNCTION acth2o
5883
5884	!------------------------------------------------------------------------------!
5885	! Description:
5886	! ------------
5887	!> Calculates the dissolutional growth of particles (i.e. gas transfers to a
5888	!> particle surface and dissolves in liquid water on the surface). Treated here
5889	!> as a non-equilibrium (time-dependent) process. Gases: HNO3 and NH3
5890	!> (Chapter 17.14 in Jacobson, 2005).
5891	!
5892	!> Called from subroutine condensation.
5893	!> Coded by:
5894	!> Harri Kokkola (FMI)
5895	!------------------------------------------------------------------------------!
5896	SUBROUTINE gpparthno3( ppres, ptemp, paero, pghno3, pgnh3, pcw, pcs, pbeta, ptstep )
5897
5898	IMPLICIT NONE
5899
5900	INTEGER(iwp) :: ib !< loop index
5901
5902	REAL(wp) :: adt !< timestep
5903	REAL(wp) :: zc_nh3_c !< Current NH3 gas concentration
5904	REAL(wp) :: zc_nh3_int !< Intermediate NH3 gas concentration
5905	REAL(wp) :: zc_nh3_n !< New NH3 gas concentration
5906	REAL(wp) :: zc_nh3_tot !< Total NH3 concentration
5907	REAL(wp) :: zc_hno3_c !< Current HNO3 gas concentration
5908	REAL(wp) :: zc_hno3_int !< Intermediate HNO3 gas concentration
5909	REAL(wp) :: zc_hno3_n !< New HNO3 gas concentration
5910	REAL(wp) :: zc_hno3_tot !< Total HNO3 concentration
5911	REAL(wp) :: zdfvap !< Diffusion coefficient for vapors
5912	REAL(wp) :: zhlp1 !< intermediate variable
5913	REAL(wp) :: zhlp2 !< intermediate variable
5914	REAL(wp) :: zrh !< relative humidity
5915
5916	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
5917	REAL(wp), INTENT(in) :: pcs !< water vapour saturation
5918	!< concentration (kg/m3)
5919	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5920	REAL(wp), INTENT(in) :: ptstep !< time step (s)
5921
5922	REAL(wp), INTENT(inout) :: pghno3 !< nitric acid concentration (#/m3)
5923	REAL(wp), INTENT(inout) :: pgnh3 !< ammonia conc. (#/m3)
5924	REAL(wp), INTENT(inout) :: pcw !< water vapour concentration (kg/m3)
5925
5926	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hno3_ae !< Activity coefficients for HNO3
5927	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hhso4_ae !< Activity coefficients for HHSO4
5928	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh3_ae !< Activity coefficients for NH3
5929	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh4hso2_ae !< Activity coefficients for NH4HSO2
5930	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_hno3_eq_ae !< Equilibrium gas concentration: HNO3
5931	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_nh3_eq_ae !< Equilibrium gas concentration: NH3
5932	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_int_ae !< Intermediate HNO3 aerosol concentration
5933	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_c_ae !< Current HNO3 in aerosols
5934	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_n_ae !< New HNO3 in aerosols
5935	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_int_ae !< Intermediate NH3 aerosol concentration
5936	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_c_ae !< Current NH3 in aerosols
5937	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_n_ae !< New NH3 in aerosols
5938	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_hno3_ae !< Kelvin effect for HNO3
5939	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_nh3_ae !< Kelvin effects for NH3
5940	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_hno3_ae !< Mass transfer coefficients for HNO3
5941	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_nh3_ae !< Mass transfer coefficients for NH3
5942	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_hno3_ae !< HNO3 saturation ratio over a surface
5943	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_nh3_ae !< NH3 saturation ratio over a surface
5944
5945	REAL(wp), DIMENSION(nbins_aerosol,maxspec) :: zion_mols !< Ion molalities from pdfite aerosols
5946
5947	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pbeta !< transitional correction factor for
5948
5949	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
5950	!
5951	!-- Initialise:
5952	adt = ptstep
5953	zac_hhso4_ae = 0.0_wp
5954	zac_nh3_ae = 0.0_wp
5955	zac_nh4hso2_ae = 0.0_wp
5956	zac_hno3_ae = 0.0_wp
5957	zcg_nh3_eq_ae = 0.0_wp
5958	zcg_hno3_eq_ae = 0.0_wp
5959	zion_mols = 0.0_wp
5960	zsat_nh3_ae = 1.0_wp
5961	zsat_hno3_ae = 1.0_wp
5962	!
5963	!-- Diffusion coefficient (m2/s)
5964	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
5965	!
5966	!-- Kelvin effects (Jacobson (2005), eq. 16.33)
5967	zkel_hno3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvhno3 / &
5968	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
5969	zkel_nh3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvnh3 / &
5970	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
5971	!
5972	!-- Current vapour mole concentrations (mol/m3)
5973	zc_hno3_c = pghno3 / avo ! HNO3
5974	zc_nh3_c = pgnh3 / avo ! NH3
5975	!
5976	!-- Current particle mole concentrations (mol/m3)
5977	zc_hno3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(6) * arhohno3 / amhno3
5978	zc_nh3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(7) * arhonh3 / amnh3
5979	!
5980	!-- Total mole concentrations: gas and particle phase
5981	zc_hno3_tot = zc_hno3_c + SUM( zc_hno3_c_ae(1:nbins_aerosol) )
5982	zc_nh3_tot = zc_nh3_c + SUM( zc_nh3_c_ae(1:nbins_aerosol) )
5983	!
5984	!-- Relative humidity [0-1]
5985	zrh = pcw / pcs
5986	!
5987	!-- Mass transfer coefficients (Jacobson, Eq. 16.64)
5988	zmt_hno3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
5989	zmt_nh3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
5990
5991	!
5992	!-- Get the equilibrium concentrations above aerosols
5993	CALL nitrate_ammonium_equilibrium( zrh, ptemp, paero, zcg_hno3_eq_ae, zcg_nh3_eq_ae, &
5994	zac_hno3_ae, zac_nh3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
5995	zion_mols )
5996	!
5997	!-- Calculate NH3 and HNO3 saturation ratios for aerosols
5998	CALL nitrate_ammonium_saturation( ptemp, paero, zac_hno3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
5999	zcg_hno3_eq_ae, zc_hno3_c_ae, zc_nh3_c_ae, zkel_hno3_ae, &
6000	zkel_nh3_ae, zsat_hno3_ae, zsat_nh3_ae )
6001	!
6002	!-- Intermediate gas concentrations of HNO3 and NH3
6003	zhlp1 = SUM( zc_hno3_c_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
6004	zhlp2 = SUM( zmt_hno3_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
6005	zc_hno3_int = ( zc_hno3_tot - zhlp1 ) / ( 1.0_wp + adt * zhlp2 )
6006
6007	zhlp1 = SUM( zc_nh3_c_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
6008	zhlp2 = SUM( zmt_nh3_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
6009	zc_nh3_int = ( zc_nh3_tot - zhlp1 )/( 1.0_wp + adt * zhlp2 )
6010
6011	zc_hno3_int = MIN( zc_hno3_int, zc_hno3_tot )
6012	zc_nh3_int = MIN( zc_nh3_int, zc_nh3_tot )
6013	!
6014	!-- Calculate the new concentration on aerosol particles
6015	zc_hno3_int_ae = zc_hno3_c_ae
6016	zc_nh3_int_ae = zc_nh3_c_ae
6017	DO ib = 1, nbins_aerosol
6018	zc_hno3_int_ae(ib) = ( zc_hno3_c_ae(ib) + adt * zmt_hno3_ae(ib) * zc_hno3_int ) / &
6019	( 1.0_wp + adt * zmt_hno3_ae(ib) * zsat_hno3_ae(ib) )
6020	zc_nh3_int_ae(ib) = ( zc_nh3_c_ae(ib) + adt * zmt_nh3_ae(ib) * zc_nh3_int ) / &
6021	( 1.0_wp + adt * zmt_nh3_ae(ib) * zsat_nh3_ae(ib) )
6022	ENDDO
6023
6024	zc_hno3_int_ae(:) = MAX( zc_hno3_int_ae(:), 0.0_wp )
6025	zc_nh3_int_ae(:) = MAX( zc_nh3_int_ae(:), 0.0_wp )
6026	!
6027	!-- Final molar gas concentration and molar particle concentration of HNO3
6028	zc_hno3_n = zc_hno3_int
6029	zc_hno3_n_ae = zc_hno3_int_ae
6030	!
6031	!-- Final molar gas concentration and molar particle concentration of NH3
6032	zc_nh3_n = zc_nh3_int
6033	zc_nh3_n_ae = zc_nh3_int_ae
6034	!
6035	!-- Model timestep reached - update the gas concentrations
6036	pghno3 = zc_hno3_n * avo
6037	pgnh3 = zc_nh3_n * avo
6038	!
6039	!-- Update the particle concentrations
6040	DO ib = start_subrange_1a, end_subrange_2b
6041	paero(ib)%volc(6) = zc_hno3_n_ae(ib) * amhno3 / arhohno3
6042	paero(ib)%volc(7) = zc_nh3_n_ae(ib) * amnh3 / arhonh3
6043	ENDDO
6044
6045	END SUBROUTINE gpparthno3
6046	!------------------------------------------------------------------------------!
6047	! Description:
6048	! ------------
6049	!> Calculate the equilibrium concentrations above aerosols (reference?)
6050	!------------------------------------------------------------------------------!
6051	SUBROUTINE nitrate_ammonium_equilibrium( prh, ptemp, ppart, pcg_hno3_eq, pcg_nh3_eq, pgamma_hno3, &
6052	pgamma_nh4, pgamma_nh4hso2, pgamma_hhso4, pmols )
6053
6054	IMPLICIT NONE
6055
6056	INTEGER(iwp) :: ib !< loop index: aerosol bins
6057
6058	REAL(wp) :: zhlp !< intermediate variable
6059	REAL(wp) :: zp_hcl !< Equilibrium vapor pressures (Pa) of HCl
6060	REAL(wp) :: zp_hno3 !< Equilibrium vapor pressures (Pa) of HNO3
6061	REAL(wp) :: zp_nh3 !< Equilibrium vapor pressures (Pa) of NH3
6062	REAL(wp) :: zwatertotal !< Total water in particles (mol/m3)
6063
6064	REAL(wp), INTENT(in) :: prh !< relative humidity
6065	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6066
6067	REAL(wp), DIMENSION(maxspec) :: zgammas !< Activity coefficients
6068	REAL(wp), DIMENSION(maxspec) :: zions !< molar concentration of ion (mol/m3)
6069
6070	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_nh3_eq !< equilibrium molar
6071	!< concentration: of NH3
6072	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_hno3_eq !< of HNO3
6073	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hhso4 !< activity coeff. of HHSO4
6074	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4 !< activity coeff. of NH3
6075	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4hso2 !< activity coeff. of NH4HSO2
6076	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hno3 !< activity coeff. of HNO3
6077
6078	REAL(wp), DIMENSION(nbins_aerosol,maxspec), INTENT(inout) :: pmols !< Ion molalities
6079
6080	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
6081
6082	zgammas = 0.0_wp
6083	zhlp = 0.0_wp
6084	zions = 0.0_wp
6085	zp_hcl = 0.0_wp
6086	zp_hno3 = 0.0_wp
6087	zp_nh3 = 0.0_wp
6088	zwatertotal = 0.0_wp
6089
6090	DO ib = 1, nbins_aerosol
6091
6092	IF ( ppart(ib)%numc < nclim ) CYCLE
6093	!
6094	!-- Ion molar concentrations: 2*H2SO4 + CL + NO3 - Na - NH4
6095	zhlp = 2.0_wp * ppart(ib)%volc(1) * arhoh2so4 / amh2so4 + ppart(ib)%volc(5) * arhoss / amss &
6096	+ ppart(ib)%volc(6) * arhohno3 / amhno3 - ppart(ib)%volc(5) * arhoss / amss - &
6097	ppart(ib)%volc(7) * arhonh3 / amnh3
6098
6099	zions(1) = zhlp ! H+
6100	zions(2) = ppart(ib)%volc(7) * arhonh3 / amnh3 ! NH4+
6101	zions(3) = ppart(ib)%volc(5) * arhoss / amss ! Na+
6102	zions(4) = ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ! SO4(2-)
6103	zions(5) = 0.0_wp ! HSO4-
6104	zions(6) = ppart(ib)%volc(6) * arhohno3 / amhno3 ! NO3-
6105	zions(7) = ppart(ib)%volc(5) * arhoss / amss ! Cl-
6106
6107	zwatertotal = ppart(ib)%volc(8) * arhoh2o / amh2o
6108	IF ( zwatertotal > 1.0E-30_wp ) THEN
6109	CALL inorganic_pdfite( prh, ptemp, zions, zwatertotal, zp_hno3, zp_hcl, zp_nh3, zgammas, &
6110	pmols(ib,:) )
6111	ENDIF
6112	!
6113	!-- Activity coefficients
6114	pgamma_hno3(ib) = zgammas(1) ! HNO3
6115	pgamma_nh4(ib) = zgammas(3) ! NH3
6116	pgamma_nh4hso2(ib) = zgammas(6) ! NH4HSO2
6117	pgamma_hhso4(ib) = zgammas(7) ! HHSO4
6118	!
6119	!-- Equilibrium molar concentrations (mol/m3) from equlibrium pressures (Pa)
6120	pcg_hno3_eq(ib) = zp_hno3 / ( argas * ptemp )
6121	pcg_nh3_eq(ib) = zp_nh3 / ( argas * ptemp )
6122
6123	ENDDO
6124
6125	END SUBROUTINE nitrate_ammonium_equilibrium
6126
6127	!------------------------------------------------------------------------------!
6128	! Description:
6129	! ------------
6130	!> Calculate saturation ratios of NH4 and HNO3 for aerosols
6131	!------------------------------------------------------------------------------!
6132	SUBROUTINE nitrate_ammonium_saturation( ptemp, ppart, pachno3, pacnh4hso2, pachhso4, pchno3eq, &
6133	pchno3, pc_nh3, pkelhno3, pkelnh3, psathno3, psatnh3 )
6134
6135	IMPLICIT NONE
6136
6137	INTEGER(iwp) :: ib !< running index for aerosol bins
6138
6139	REAL(wp) :: k_ll_h2o !< equilibrium constants of equilibrium reactions:
6140	!< H2O(aq) <--> H+ + OH- (mol/kg)
6141	REAL(wp) :: k_ll_nh3 !< NH3(aq) + H2O(aq) <--> NH4+ + OH- (mol/kg)
6142	REAL(wp) :: k_gl_nh3 !< NH3(g) <--> NH3(aq) (mol/kg/atm)
6143	REAL(wp) :: k_gl_hno3 !< HNO3(g) <--> H+ + NO3- (mol2/kg2/atm)
6144	REAL(wp) :: zmol_no3 !< molality of NO3- (mol/kg)
6145	REAL(wp) :: zmol_h !< molality of H+ (mol/kg)
6146	REAL(wp) :: zmol_so4 !< molality of SO4(2-) (mol/kg)
6147	REAL(wp) :: zmol_cl !< molality of Cl- (mol/kg)
6148	REAL(wp) :: zmol_nh4 !< molality of NH4+ (mol/kg)
6149	REAL(wp) :: zmol_na !< molality of Na+ (mol/kg)
6150	REAL(wp) :: zhlp1 !< intermediate variable
6151	REAL(wp) :: zhlp2 !< intermediate variable
6152	REAL(wp) :: zhlp3 !< intermediate variable
6153	REAL(wp) :: zxi !< particle mole concentration ratio: (NH3+SS)/H2SO4
6154	REAL(wp) :: zt0 !< reference temp
6155
6156	REAL(wp), PARAMETER :: a1 = -22.52_wp !<
6157	REAL(wp), PARAMETER :: a2 = -1.50_wp !<
6158	REAL(wp), PARAMETER :: a3 = 13.79_wp !<
6159	REAL(wp), PARAMETER :: a4 = 29.17_wp !<
6160	REAL(wp), PARAMETER :: b1 = 26.92_wp !<
6161	REAL(wp), PARAMETER :: b2 = 26.92_wp !<
6162	REAL(wp), PARAMETER :: b3 = -5.39_wp !<
6163	REAL(wp), PARAMETER :: b4 = 16.84_wp !<
6164	REAL(wp), PARAMETER :: K01 = 1.01E-14_wp !<
6165	REAL(wp), PARAMETER :: K02 = 1.81E-5_wp !<
6166	REAL(wp), PARAMETER :: K03 = 57.64_wp !<
6167	REAL(wp), PARAMETER :: K04 = 2.51E+6_wp !<
6168
6169	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
6170
6171	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachhso4 !< activity coeff. of HHSO4
6172	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pacnh4hso2 !< activity coeff. of NH4HSO2
6173	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachno3 !< activity coeff. of HNO3
6174	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3eq !< eq. surface concentration: HNO3
6175	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3 !< current particle mole
6176	!< concentration of HNO3 (mol/m3)
6177	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pc_nh3 !< of NH3 (mol/m3)
6178	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelhno3 !< Kelvin effect for HNO3
6179	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelnh3 !< Kelvin effect for NH3
6180
6181	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psathno3 !< saturation ratio of HNO3
6182	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psatnh3 !< saturation ratio of NH3
6183
6184	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
6185
6186	zmol_cl = 0.0_wp
6187	zmol_h = 0.0_wp
6188	zmol_na = 0.0_wp
6189	zmol_nh4 = 0.0_wp
6190	zmol_no3 = 0.0_wp
6191	zmol_so4 = 0.0_wp
6192	zt0 = 298.15_wp
6193	zxi = 0.0_wp
6194	!
6195	!-- Calculates equlibrium rate constants based on Table B.7 in Jacobson (2005):
6196	!-- K^ll_H20, K^ll_NH3, K^gl_NH3, K^gl_HNO3
6197	zhlp1 = zt0 / ptemp
6198	zhlp2 = zhlp1 - 1.0_wp
6199	zhlp3 = 1.0_wp + LOG( zhlp1 ) - zhlp1
6200
6201	k_ll_h2o = K01 * EXP( a1 * zhlp2 + b1 * zhlp3 )
6202	k_ll_nh3 = K02 * EXP( a2 * zhlp2 + b2 * zhlp3 )
6203	k_gl_nh3 = K03 * EXP( a3 * zhlp2 + b3 * zhlp3 )
6204	k_gl_hno3 = K04 * EXP( a4 * zhlp2 + b4 * zhlp3 )
6205
6206	DO ib = 1, nbins_aerosol
6207
6208	IF ( ppart(ib)%numc > nclim .AND. ppart(ib)%volc(8) > 1.0E-30_wp ) THEN
6209	!
6210	!-- Molality of H+ and NO3-
6211	zhlp1 = pc_nh3(ib) * amnh3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * arhooc &
6212	+ ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6213	zmol_no3 = pchno3(ib) / zhlp1 !< mol/kg
6214	!
6215	!-- Particle mole concentration ratio: (NH3+SS)/H2SO4
6216	zxi = ( pc_nh3(ib) + ppart(ib)%volc(5) * arhoss / amss ) / ( ppart(ib)%volc(1) * &
6217	arhoh2so4 / amh2so4 )
6218
6219	IF ( zxi <= 2.0_wp ) THEN
6220	!
6221	!-- Molality of SO4(2-)
6222	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
6223	ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6224	zmol_so4 = ( ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ) / zhlp1
6225	!
6226	!-- Molality of Cl-
6227	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
6228	ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(8) * arhoh2o
6229	zmol_cl = ( ppart(ib)%volc(5) * arhoss / amss ) / zhlp1
6230	!
6231	!-- Molality of NH4+
6232	zhlp1 = pchno3(ib) * amhno3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * &
6233	arhooc + ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
6234	zmol_nh4 = pc_nh3(ib) / zhlp1
6235	!
6236	!-- Molality of Na+
6237	zmol_na = zmol_cl
6238	!
6239	!-- Molality of H+
6240	zmol_h = 2.0_wp * zmol_so4 + zmol_no3 + zmol_cl - ( zmol_nh4 + zmol_na )
6241
6242	ELSE
6243
6244	zhlp2 = pkelhno3(ib) * zmol_no3 * pachno3(ib)**2
6245
6246	IF ( zhlp2 > 1.0E-30_wp ) THEN
6247	zmol_h = k_gl_hno3 * pchno3eq(ib) / zhlp2 ! Eq. 17.38
6248	ELSE
6249	zmol_h = 0.0_wp
6250	ENDIF
6251
6252	ENDIF
6253
6254	zhlp1 = ppart(ib)%volc(8) * arhoh2o * argas * ptemp * k_gl_hno3
6255	!
6256	!-- Saturation ratio for NH3 and for HNO3
6257	IF ( zmol_h > 0.0_wp ) THEN
6258	zhlp2 = pkelnh3(ib) / ( zhlp1 * zmol_h )
6259	zhlp3 = k_ll_h2o / ( k_ll_nh3 + k_gl_nh3 )
6260	psatnh3(ib) = zhlp2 * ( ( pacnh4hso2(ib) / pachhso4(ib) )*2 ) zhlp3
6261	psathno3(ib) = ( pkelhno3(ib) * zmol_h * pachno3(ib)**2 ) / zhlp1
6262	ELSE
6263	psatnh3(ib) = 1.0_wp
6264	psathno3(ib) = 1.0_wp
6265	ENDIF
6266	ELSE
6267	psatnh3(ib) = 1.0_wp
6268	psathno3(ib) = 1.0_wp
6269	ENDIF
6270
6271	ENDDO
6272
6273	END SUBROUTINE nitrate_ammonium_saturation
6274
6275	!------------------------------------------------------------------------------!
6276	! Description:
6277	! ------------
6278	!> Prototype module for calculating the water content of a mixed inorganic/
6279	!> organic particle + equilibrium water vapour pressure above the solution
6280	!> (HNO3, HCL, NH3 and representative organic compounds. Efficient calculation
6281	!> of the partitioning of species between gas and aerosol. Based in a chamber
6282	!> study.
6283	!
6284	!> Written by Dave Topping. Pure organic component properties predicted by Mark
6285	!> Barley based on VOCs predicted in MCM simulations performed by Mike Jenkin.
6286	!> Delivered by Gordon McFiggans as Deliverable D22 from WP1.4 in the EU FP6
6287	!> EUCAARI Integrated Project.
6288	!
6289	!> REFERENCES
6290	!> Clegg et al. (1998) A Thermodynamic Model of the System H+-NH4+-Na+-SO42- -NO3--Cl--H2O at
6291	!> 298.15 K, J. Phys. Chem., 102A, 2155-2171.
6292	!> Clegg et al. (2001) Thermodynamic modelling of aqueous aerosols containing electrolytes and
6293	!> dissolved organic compounds. Journal of Aerosol Science 2001;32(6):713-738.
6294	!> Topping et al. (2005a) A curved multi-component aerosol hygroscopicity model framework: Part 1 -
6295	!> Inorganic compounds. Atmospheric Chemistry and Physics 2005;5:1205-1222.
6296	!> Topping et al. (2005b) A curved multi-component aerosol hygroscopicity model framework: Part 2 -
6297	!> Including organic compounds. Atmospheric Chemistry and Physics 2005;5:1223-1242.
6298	!> Wagman et al. (1982). The NBS tables of chemical thermodynamic properties: selected values for
6299	!> inorganic and Câ and Câ organic substances in SI units (book)
6300	!> Zaveri et al. (2005). A new method for multicomponent activity coefficients of electrolytes in
6301	!> aqueous atmospheric aerosols, JGR, 110, D02201, 2005.
6302	!
6303	!> Queries concerning the use of this code through Gordon McFiggans,
6304	!> g.mcfiggans@manchester.ac.uk,
6305	!> Ownership: D. Topping, Centre for Atmospheric Sciences, University of
6306	!> Manchester, 2007
6307	!
6308	!> Rewritten to PALM by Mona Kurppa, UHel, 2017
6309	!------------------------------------------------------------------------------!
6310	SUBROUTINE inorganic_pdfite( rh, temp, ions, water_total, press_hno3, press_hcl, press_nh3, &
6311	gamma_out, mols_out )
6312
6313	IMPLICIT NONE
6314
6315	INTEGER(iwp) :: binary_case
6316	INTEGER(iwp) :: full_complexity
6317
6318	REAL(wp) :: a !< auxiliary variable
6319	REAL(wp) :: act_product !< ionic activity coef. product:
6320	!< = (gamma_h2so43d0) / gamma_hhso42d0)
6321	REAL(wp) :: ammonium_chloride !<
6322	REAL(wp) :: ammonium_chloride_eq_frac !<
6323	REAL(wp) :: ammonium_nitrate !<
6324	REAL(wp) :: ammonium_nitrate_eq_frac !<
6325	REAL(wp) :: ammonium_sulphate !<
6326	REAL(wp) :: ammonium_sulphate_eq_frac !<
6327	REAL(wp) :: b !< auxiliary variable
6328	REAL(wp) :: binary_h2so4 !< binary H2SO4 activity coeff.
6329	REAL(wp) :: binary_hcl !< binary HCL activity coeff.
6330	REAL(wp) :: binary_hhso4 !< binary HHSO4 activity coeff.
6331	REAL(wp) :: binary_hno3 !< binary HNO3 activity coeff.
6332	REAL(wp) :: binary_nh4hso4 !< binary NH4HSO4 activity coeff.
6333	REAL(wp) :: c !< auxiliary variable
6334	REAL(wp) :: charge_sum !< sum of ionic charges
6335	REAL(wp) :: gamma_h2so4 !< activity coefficient
6336	REAL(wp) :: gamma_hcl !< activity coefficient
6337	REAL(wp) :: gamma_hhso4 !< activity coeffient
6338	REAL(wp) :: gamma_hno3 !< activity coefficient
6339	REAL(wp) :: gamma_nh3 !< activity coefficient
6340	REAL(wp) :: gamma_nh4hso4 !< activity coefficient
6341	REAL(wp) :: h_out !<
6342	REAL(wp) :: h_real !< new hydrogen ion conc.
6343	REAL(wp) :: h2so4_hcl !< contribution of H2SO4
6344	REAL(wp) :: h2so4_hno3 !< contribution of H2SO4
6345	REAL(wp) :: h2so4_nh3 !< contribution of H2SO4
6346	REAL(wp) :: h2so4_nh4hso4 !< contribution of H2SO4
6347	REAL(wp) :: hcl_h2so4 !< contribution of HCL
6348	REAL(wp) :: hcl_hhso4 !< contribution of HCL
6349	REAL(wp) :: hcl_hno3 !< contribution of HCL
6350	REAL(wp) :: hcl_nh4hso4 !< contribution of HCL
6351	REAL(wp) :: henrys_temp_dep !< temperature dependence of Henry's Law
6352	REAL(wp) :: hno3_h2so4 !< contribution of HNO3
6353	REAL(wp) :: hno3_hcl !< contribution of HNO3
6354	REAL(wp) :: hno3_hhso4 !< contribution of HNO3
6355	REAL(wp) :: hno3_nh3 !< contribution of HNO3
6356	REAL(wp) :: hno3_nh4hso4 !< contribution of HNO3
6357	REAL(wp) :: hso4_out !<
6358	REAL(wp) :: hso4_real !< new bisulphate ion conc.
6359	REAL(wp) :: hydrochloric_acid !<
6360	REAL(wp) :: hydrochloric_acid_eq_frac !<
6361	REAL(wp) :: k_h !< equilibrium constant for H+
6362	REAL(wp) :: k_hcl !< equilibrium constant of HCL
6363	REAL(wp) :: k_hno3 !< equilibrium constant of HNO3
6364	REAL(wp) :: k_nh4 !< equilibrium constant for NH4+
6365	REAL(wp) :: k_h2o !< equil. const. for water_surface
6366	REAL(wp) :: ln_h2so4_act !< gamma_h2so4 = EXP(ln_h2so4_act)
6367	REAL(wp) :: ln_HCL_act !< gamma_hcl = EXP( ln_HCL_act )
6368	REAL(wp) :: ln_hhso4_act !< gamma_hhso4 = EXP(ln_hhso4_act)
6369	REAL(wp) :: ln_hno3_act !< gamma_hno3 = EXP( ln_hno3_act )
6370	REAL(wp) :: ln_nh4hso4_act !< gamma_nh4hso4 = EXP( ln_nh4hso4_act )
6371	REAL(wp) :: molality_ratio_nh3 !< molality ratio of NH3 (NH4+ and H+)
6372	REAL(wp) :: na2so4_h2so4 !< contribution of Na2SO4
6373	REAL(wp) :: na2so4_hcl !< contribution of Na2SO4
6374	REAL(wp) :: na2so4_hhso4 !< contribution of Na2SO4
6375	REAL(wp) :: na2so4_hno3 !< contribution of Na2SO4
6376	REAL(wp) :: na2so4_nh3 !< contribution of Na2SO4
6377	REAL(wp) :: na2so4_nh4hso4 !< contribution of Na2SO4
6378	REAL(wp) :: nacl_h2so4 !< contribution of NaCl
6379	REAL(wp) :: nacl_hcl !< contribution of NaCl
6380	REAL(wp) :: nacl_hhso4 !< contribution of NaCl
6381	REAL(wp) :: nacl_hno3 !< contribution of NaCl
6382	REAL(wp) :: nacl_nh3 !< contribution of NaCl
6383	REAL(wp) :: nacl_nh4hso4 !< contribution of NaCl
6384	REAL(wp) :: nano3_h2so4 !< contribution of NaNO3
6385	REAL(wp) :: nano3_hcl !< contribution of NaNO3
6386	REAL(wp) :: nano3_hhso4 !< contribution of NaNO3
6387	REAL(wp) :: nano3_hno3 !< contribution of NaNO3
6388	REAL(wp) :: nano3_nh3 !< contribution of NaNO3
6389	REAL(wp) :: nano3_nh4hso4 !< contribution of NaNO3
6390	REAL(wp) :: nh42so4_h2so4 !< contribution of NH42SO4
6391	REAL(wp) :: nh42so4_hcl !< contribution of NH42SO4
6392	REAL(wp) :: nh42so4_hhso4 !< contribution of NH42SO4
6393	REAL(wp) :: nh42so4_hno3 !< contribution of NH42SO4
6394	REAL(wp) :: nh42so4_nh3 !< contribution of NH42SO4
6395	REAL(wp) :: nh42so4_nh4hso4 !< contribution of NH42SO4
6396	REAL(wp) :: nh4cl_h2so4 !< contribution of NH4Cl
6397	REAL(wp) :: nh4cl_hcl !< contribution of NH4Cl
6398	REAL(wp) :: nh4cl_hhso4 !< contribution of NH4Cl
6399	REAL(wp) :: nh4cl_hno3 !< contribution of NH4Cl
6400	REAL(wp) :: nh4cl_nh3 !< contribution of NH4Cl
6401	REAL(wp) :: nh4cl_nh4hso4 !< contribution of NH4Cl
6402	REAL(wp) :: nh4no3_h2so4 !< contribution of NH4NO3
6403	REAL(wp) :: nh4no3_hcl !< contribution of NH4NO3
6404	REAL(wp) :: nh4no3_hhso4 !< contribution of NH4NO3
6405	REAL(wp) :: nh4no3_hno3 !< contribution of NH4NO3
6406	REAL(wp) :: nh4no3_nh3 !< contribution of NH4NO3
6407	REAL(wp) :: nh4no3_nh4hso4 !< contribution of NH4NO3
6408	REAL(wp) :: nitric_acid !<
6409	REAL(wp) :: nitric_acid_eq_frac !< Equivalent fractions
6410	REAL(wp) :: press_hcl !< partial pressure of HCL
6411	REAL(wp) :: press_hno3 !< partial pressure of HNO3
6412	REAL(wp) :: press_nh3 !< partial pressure of NH3
6413	REAL(wp) :: rh !< relative humidity [0-1]
6414	REAL(wp) :: root1 !< auxiliary variable
6415	REAL(wp) :: root2 !< auxiliary variable
6416	REAL(wp) :: so4_out !<
6417	REAL(wp) :: so4_real !< new sulpate ion concentration
6418	REAL(wp) :: sodium_chloride !<
6419	REAL(wp) :: sodium_chloride_eq_frac !<
6420	REAL(wp) :: sodium_nitrate !<
6421	REAL(wp) :: sodium_nitrate_eq_frac !<
6422	REAL(wp) :: sodium_sulphate !<
6423	REAL(wp) :: sodium_sulphate_eq_frac !<
6424	REAL(wp) :: solutes !<
6425	REAL(wp) :: sulphuric_acid !<
6426	REAL(wp) :: sulphuric_acid_eq_frac !<
6427	REAL(wp) :: temp !< temperature
6428	REAL(wp) :: water_total !<
6429
6430	REAL(wp), DIMENSION(:) :: gamma_out !< Activity coefficient for calculating the non-ideal
6431	!< dissociation constants
6432	!< 1: HNO3, 2: HCL, 3: NH4+/H+ (NH3), 4: HHSO4**2/H2SO4,
6433	!< 5: H2SO43/HHSO42, 6: NH4HSO2, 7: HHSO4
6434	REAL(wp), DIMENSION(:) :: ions !< ion molarities (mol/m3): 1: H+, 2: NH4+, 3: Na+,
6435	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6436	REAL(wp), DIMENSION(7) :: ions_mol !< ion molalities (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6437	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6438	REAL(wp), DIMENSION(:) :: mols_out !< ion molality output (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6439	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6440	!
6441	!-- Value initialisation
6442	binary_h2so4 = 0.0_wp
6443	binary_hcl = 0.0_wp
6444	binary_hhso4 = 0.0_wp
6445	binary_hno3 = 0.0_wp
6446	binary_nh4hso4 = 0.0_wp
6447	henrys_temp_dep = ( 1.0_wp / temp - 0.0033557_wp ) ! 1/T - 1/298 K
6448	hcl_hno3 = 1.0_wp
6449	h2so4_hno3 = 1.0_wp
6450	nh42so4_hno3 = 1.0_wp
6451	nh4no3_hno3 = 1.0_wp
6452	nh4cl_hno3 = 1.0_wp
6453	na2so4_hno3 = 1.0_wp
6454	nano3_hno3 = 1.0_wp
6455	nacl_hno3 = 1.0_wp
6456	hno3_hcl = 1.0_wp
6457	h2so4_hcl = 1.0_wp
6458	nh42so4_hcl = 1.0_wp
6459	nh4no3_hcl = 1.0_wp
6460	nh4cl_hcl = 1.0_wp
6461	na2so4_hcl = 1.0_wp
6462	nano3_hcl = 1.0_wp
6463	nacl_hcl = 1.0_wp
6464	hno3_nh3 = 1.0_wp
6465	h2so4_nh3 = 1.0_wp
6466	nh42so4_nh3 = 1.0_wp
6467	nh4no3_nh3 = 1.0_wp
6468	nh4cl_nh3 = 1.0_wp
6469	na2so4_nh3 = 1.0_wp
6470	nano3_nh3 = 1.0_wp
6471	nacl_nh3 = 1.0_wp
6472	hno3_hhso4 = 1.0_wp
6473	hcl_hhso4 = 1.0_wp
6474	nh42so4_hhso4 = 1.0_wp
6475	nh4no3_hhso4 = 1.0_wp
6476	nh4cl_hhso4 = 1.0_wp
6477	na2so4_hhso4 = 1.0_wp
6478	nano3_hhso4 = 1.0_wp
6479	nacl_hhso4 = 1.0_wp
6480	hno3_h2so4 = 1.0_wp
6481	hcl_h2so4 = 1.0_wp
6482	nh42so4_h2so4 = 1.0_wp
6483	nh4no3_h2so4 = 1.0_wp
6484	nh4cl_h2so4 = 1.0_wp
6485	na2so4_h2so4 = 1.0_wp
6486	nano3_h2so4 = 1.0_wp
6487	nacl_h2so4 = 1.0_wp
6488	!
6489	!-- New NH3 variables
6490	hno3_nh4hso4 = 1.0_wp
6491	hcl_nh4hso4 = 1.0_wp
6492	h2so4_nh4hso4 = 1.0_wp
6493	nh42so4_nh4hso4 = 1.0_wp
6494	nh4no3_nh4hso4 = 1.0_wp
6495	nh4cl_nh4hso4 = 1.0_wp
6496	na2so4_nh4hso4 = 1.0_wp
6497	nano3_nh4hso4 = 1.0_wp
6498	nacl_nh4hso4 = 1.0_wp
6499	!
6500	!-- Juha Tonttila added
6501	mols_out = 0.0_wp
6502	press_hno3 = 0.0_wp !< Initialising vapour pressures over the
6503	press_hcl = 0.0_wp !< multicomponent particle
6504	press_nh3 = 0.0_wp
6505	gamma_out = 1.0_wp !< i.e. don't alter the ideal mixing ratios if there's nothing there.
6506	!
6507	!-- 1) - COMPOSITION DEFINITIONS
6508	!
6509	!-- a) Inorganic ion pairing:
6510	!-- In order to calculate the water content, which is also used in calculating vapour pressures, one
6511	!-- needs to pair the anions and cations for use in the ZSR mixing rule. The equation provided by
6512	!-- Clegg et al. (2001) is used for ion pairing. The solutes chosen comprise of 9 inorganic salts
6513	!-- and acids which provide a pairing between each anion and cation: (NH4)2SO4, NH4NO3, NH4Cl,
6514	!-- Na2SO4, NaNO3, NaCl, H2SO4, HNO3, HCL. The organic compound is treated as a seperate solute.
6515	!-- Ions: 1: H+, 2: NH4+, 3: Na+, 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6516	!
6517	charge_sum = ions(1) + ions(2) + ions(3) + 2.0_wp * ions(4) + ions(5) + ions(6) + ions(7)
6518	nitric_acid = ( 2.0_wp * ions(1) * ions(6) ) / charge_sum
6519	hydrochloric_acid = ( 2.0_wp * ions(1) * ions(7) ) / charge_sum
6520	sulphuric_acid = ( 2.0_wp * ions(1) * ions(4) ) / charge_sum
6521	ammonium_sulphate = ( 2.0_wp * ions(2) * ions(4) ) / charge_sum
6522	ammonium_nitrate = ( 2.0_wp * ions(2) * ions(6) ) / charge_sum
6523	ammonium_chloride = ( 2.0_wp * ions(2) * ions(7) ) / charge_sum
6524	sodium_sulphate = ( 2.0_wp * ions(3) * ions(4) ) / charge_sum
6525	sodium_nitrate = ( 2.0_wp * ions(3) * ions(6) ) / charge_sum
6526	sodium_chloride = ( 2.0_wp * ions(3) * ions(7) ) / charge_sum
6527	solutes = 0.0_wp
6528	solutes = 3.0_wp * sulphuric_acid + 2.0_wp * hydrochloric_acid + 2.0_wp * nitric_acid + &
6529	3.0_wp * ammonium_sulphate + 2.0_wp * ammonium_nitrate + 2.0_wp * ammonium_chloride +&
6530	3.0_wp * sodium_sulphate + 2.0_wp * sodium_nitrate + 2.0_wp * sodium_chloride
6531	!
6532	!-- b) Inorganic equivalent fractions:
6533	!-- These values are calculated so that activity coefficients can be expressed by a linear additive
6534	!-- rule, thus allowing more efficient calculations and future expansion (see more detailed
6535	!-- description below)
6536	nitric_acid_eq_frac = 2.0_wp * nitric_acid / solutes
6537	hydrochloric_acid_eq_frac = 2.0_wp * hydrochloric_acid / solutes
6538	sulphuric_acid_eq_frac = 3.0_wp * sulphuric_acid / solutes
6539	ammonium_sulphate_eq_frac = 3.0_wp * ammonium_sulphate / solutes
6540	ammonium_nitrate_eq_frac = 2.0_wp * ammonium_nitrate / solutes
6541	ammonium_chloride_eq_frac = 2.0_wp * ammonium_chloride / solutes
6542	sodium_sulphate_eq_frac = 3.0_wp * sodium_sulphate / solutes
6543	sodium_nitrate_eq_frac = 2.0_wp * sodium_nitrate / solutes
6544	sodium_chloride_eq_frac = 2.0_wp * sodium_chloride / solutes
6545	!
6546	!-- Inorganic ion molalities
6547	ions_mol(1) = ions(1) / ( water_total * 18.01528E-3_wp ) ! H+
6548	ions_mol(2) = ions(2) / ( water_total * 18.01528E-3_wp ) ! NH4+
6549	ions_mol(3) = ions(3) / ( water_total * 18.01528E-3_wp ) ! Na+
6550	ions_mol(4) = ions(4) / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6551	ions_mol(5) = ions(5) / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6552	ions_mol(6) = ions(6) / ( water_total * 18.01528E-3_wp ) ! NO3-
6553	ions_mol(7) = ions(7) / ( water_total * 18.01528E-3_wp ) ! Cl-
6554
6555	!-- ***
6556	!-- At this point we may need to introduce a method for prescribing H+ when there is no 'real' value
6557	!-- for H+..i.e. in the sulphate poor domain. This will give a value for solve quadratic proposed by
6558	!-- Zaveri et al. 2005
6559	!
6560	!-- 2) - WATER CALCULATION
6561	!
6562	!-- a) The water content is calculated using the ZSR rule with solute concentrations calculated
6563	!-- using 1a above. Whilst the usual approximation of ZSR relies on binary data consisting of 5th or
6564	!-- higher order polynomials, in this code 4 different RH regimes are used, each housing cubic
6565	!-- equations for the water associated with each solute listed above. Binary water contents for
6566	!-- inorganic components were calculated using AIM online (Clegg et al 1998). The water associated
6567	!-- with the organic compound is calculated assuming ideality and that aw = RH.
6568	!
6569	!-- b) Molality of each inorganic ion and organic solute (initial input) is calculated for use in
6570	!-- vapour pressure calculation.
6571	!
6572	!-- 3) - BISULPHATE ION DISSOCIATION CALCULATION
6573	!
6574	!-- The dissociation of the bisulphate ion is calculated explicitly. A solution to the equilibrium
6575	!-- equation between the bisulphate ion, hydrogen ion and sulphate ion is found using tabulated
6576	!-- equilibrium constants (referenced). It is necessary to calculate the activity coefficients of
6577	!-- HHSO4 and H2SO4 in a non-iterative manner. These are calculated using the same format as
6578	!-- described in 4) below, where both activity coefficients were fit to the output from ADDEM
6579	!-- (Topping et al 2005a,b) covering an extensive composition space, providing the activity
6580	!-- coefficients and bisulphate ion dissociation as a function of equivalent mole fractions and
6581	!-- relative humidity.
6582	!
6583	!-- NOTE: the flags "binary_case" and "full_complexity" are not used in this prototype. They are
6584	!-- used for simplification of the fit expressions when using limited composition regions. This
6585	!-- section of code calculates the bisulphate ion concentration.
6586	!
6587	IF ( ions(1) > 0.0_wp .AND. ions(4) > 0.0_wp ) THEN
6588	!
6589	!-- HHSO4:
6590	binary_case = 1
6591	IF ( rh > 0.1_wp .AND. rh < 0.9_wp ) THEN
6592	binary_hhso4 = -4.9521_wp * rh*3 + 9.2881_wp rh*2 - 10.777_wp rh + 6.0534_wp
6593	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.955_wp ) THEN
6594	binary_hhso4 = -6.3777_wp * rh + 5.962_wp
6595	ELSEIF ( rh >= 0.955_wp .AND. rh < 0.99_wp ) THEN
6596	binary_hhso4 = 2367.2_wp * rh*3 - 6849.7_wp rh*2 + 6600.9_wp rh - 2118.7_wp
6597	ELSEIF ( rh >= 0.99_wp .AND. rh < 0.9999_wp ) THEN
6598	binary_hhso4 = 3E-7_wp * rh*5 - 2E-5_wp rh*4 + 0.0004_wp rh*3 - 0.0035_wp rh**2 &
6599	+ 0.0123_wp * rh - 0.3025_wp
6600	ENDIF
6601
6602	IF ( nitric_acid > 0.0_wp ) THEN
6603	hno3_hhso4 = -4.2204_wp * rh*4 + 12.193_wp rh*3 - 12.481_wp rh*2 + 6.459_wp rh &
6604	- 1.9004_wp
6605	ENDIF
6606
6607	IF ( hydrochloric_acid > 0.0_wp ) THEN
6608	hcl_hhso4 = -54.845_wp * rh*7 + 209.54_wp rh*6 - 336.59_wp rh*5 + 294.21_wp &
6609	rh*4 - 150.07_wp rh*3 + 43.767_wp rh*2 - 6.5495_wp rh + 0.60048_wp
6610	ENDIF
6611
6612	IF ( ammonium_sulphate > 0.0_wp ) THEN
6613	nh42so4_hhso4 = 16.768_wp * rh*3 - 28.75_wp rh*2 + 20.011_wp rh - 8.3206_wp
6614	ENDIF
6615
6616	IF ( ammonium_nitrate > 0.0_wp ) THEN
6617	nh4no3_hhso4 = -17.184_wp * rh*4 + 56.834_wp rh*3 - 65.765_wp rh**2 + &
6618	35.321_wp * rh - 9.252_wp
6619	ENDIF
6620
6621	IF (ammonium_chloride > 0.0_wp ) THEN
6622	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6623	nh4cl_hhso4 = 3.2809_wp * rh - 2.0637_wp
6624	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6625	nh4cl_hhso4 = -1.2981_wp * rh*3 + 4.7461_wp rh*2 - 2.3269_wp rh - 1.1259_wp
6626	ENDIF
6627	ENDIF
6628
6629	IF ( sodium_sulphate > 0.0_wp ) THEN
6630	na2so4_hhso4 = 118.87_wp * rh*6 - 358.63_wp rh*5 + 435.85_wp rh*4 - 272.88_wp &
6631	rh*3 + 94.411_wp rh*2 - 18.21_wp rh + 0.45935_wp
6632	ENDIF
6633
6634	IF ( sodium_nitrate > 0.0_wp ) THEN
6635	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6636	nano3_hhso4 = 4.8456_wp * rh - 2.5773_wp
6637	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6638	nano3_hhso4 = 0.5964_wp * rh*3 - 0.38967_wp rh*2 + 1.7918_wp rh - 1.9691_wp
6639	ENDIF
6640	ENDIF
6641
6642	IF ( sodium_chloride > 0.0_wp ) THEN
6643	IF ( rh < 0.2_wp ) THEN
6644	nacl_hhso4 = 0.51995_wp * rh - 1.3981_wp
6645	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6646	nacl_hhso4 = 1.6539_wp * rh - 1.6101_wp
6647	ENDIF
6648	ENDIF
6649
6650	ln_hhso4_act = binary_hhso4 + nitric_acid_eq_frac * hno3_hhso4 + &
6651	hydrochloric_acid_eq_frac * hcl_hhso4 + &
6652	ammonium_sulphate_eq_frac * nh42so4_hhso4 + &
6653	ammonium_nitrate_eq_frac * nh4no3_hhso4 + &
6654	ammonium_chloride_eq_frac * nh4cl_hhso4 + &
6655	sodium_sulphate_eq_frac * na2so4_hhso4 + &
6656	sodium_nitrate_eq_frac * nano3_hhso4 + sodium_chloride_eq_frac * nacl_hhso4
6657
6658	gamma_hhso4 = EXP( ln_hhso4_act ) ! molal activity coefficient of HHSO4
6659
6660	!-- H2SO4 (sulphuric acid):
6661	IF ( rh >= 0.1_wp .AND. rh < 0.9_wp ) THEN
6662	binary_h2so4 = 2.4493_wp * rh*2 - 6.2326_wp rh + 2.1763_wp
6663	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.98 ) THEN
6664	binary_h2so4 = 914.68_wp * rh*3 - 2502.3_wp rh*2 + 2281.9_wp rh - 695.11_wp
6665	ELSEIF ( rh >= 0.98 .AND. rh < 0.9999 ) THEN
6666	binary_h2so4 = 3.0E-8_wp * rh*4 - 5E-6_wp rh*3 + 0.0003_wp rh*2 - 0.0022_wp &
6667	rh - 1.1305_wp
6668	ENDIF
6669
6670	IF ( nitric_acid > 0.0_wp ) THEN
6671	hno3_h2so4 = - 16.382_wp * rh*5 + 46.677_wp rh*4 - 54.149_wp rh*3 + 34.36_wp &
6672	rh*2 - 12.54_wp rh + 2.1368_wp
6673	ENDIF
6674
6675	IF ( hydrochloric_acid > 0.0_wp ) THEN
6676	hcl_h2so4 = - 14.409_wp * rh*5 + 42.804_wp rh*4 - 47.24_wp rh*3 + 24.668_wp &
6677	rh*2 - 5.8015_wp rh + 0.084627_wp
6678	ENDIF
6679
6680	IF ( ammonium_sulphate > 0.0_wp ) THEN
6681	nh42so4_h2so4 = 66.71_wp * rh*5 - 187.5_wp rh*4 + 210.57_wp rh*3 - 121.04_wp &
6682	rh*2 + 39.182_wp rh - 8.0606_wp
6683	ENDIF
6684
6685	IF ( ammonium_nitrate > 0.0_wp ) THEN
6686	nh4no3_h2so4 = - 22.532_wp * rh*4 + 66.615_wp rh*3 - 74.647_wp rh*2 + 37.638_wp &
6687	rh - 6.9711_wp
6688	ENDIF
6689
6690	IF ( ammonium_chloride > 0.0_wp ) THEN
6691	IF ( rh >= 0.1_wp .AND. rh < 0.2_wp ) THEN
6692	nh4cl_h2so4 = - 0.32089_wp * rh + 0.57738_wp
6693	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.9_wp ) THEN
6694	nh4cl_h2so4 = 18.089_wp * rh*5 - 51.083_wp rh*4 + 50.32_wp rh*3 - 17.012_wp &
6695	rh*2 - 0.93435_wp rh + 1.0548_wp
6696	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.99_wp ) THEN
6697	nh4cl_h2so4 = - 1.5749_wp * rh + 1.7002_wp
6698	ENDIF
6699	ENDIF
6700
6701	IF ( sodium_sulphate > 0.0_wp ) THEN
6702	na2so4_h2so4 = 29.843_wp * rh*4 - 69.417_wp rh*3 + 61.507_wp rh*2 - 29.874_wp &
6703	rh + 7.7556_wp
6704	ENDIF
6705
6706	IF ( sodium_nitrate > 0.0_wp ) THEN
6707	nano3_h2so4 = - 122.37_wp * rh*6 + 427.43_wp rh*5 - 604.68_wp rh*4 + 443.08_wp &
6708	rh*3 - 178.61_wp rh*2 + 37.242_wp rh - 1.9564_wp
6709	ENDIF
6710
6711	IF ( sodium_chloride > 0.0_wp ) THEN
6712	nacl_h2so4 = - 40.288_wp * rh*5 + 115.61_wp rh*4 - 129.99_wp rh*3 + 72.652_wp &
6713	rh*2 - 22.124_wp rh + 4.2676_wp
6714	ENDIF
6715
6716	ln_h2so4_act = binary_h2so4 + nitric_acid_eq_frac * hno3_h2so4 + &
6717	hydrochloric_acid_eq_frac * hcl_h2so4 + &
6718	ammonium_sulphate_eq_frac * nh42so4_h2so4 + &
6719	ammonium_nitrate_eq_frac * nh4no3_h2so4 + &
6720	ammonium_chloride_eq_frac * nh4cl_h2so4 + &
6721	sodium_sulphate_eq_frac * na2so4_h2so4 + &
6722	sodium_nitrate_eq_frac * nano3_h2so4 + sodium_chloride_eq_frac * nacl_h2so4
6723
6724	gamma_h2so4 = EXP( ln_h2so4_act ) ! molal activity coefficient
6725	!
6726	!-- Export activity coefficients
6727	IF ( gamma_h2so4 > 1.0E-10_wp ) THEN
6728	gamma_out(4) = gamma_hhso4**2 / gamma_h2so4
6729	ENDIF
6730	IF ( gamma_hhso4 > 1.0E-10_wp ) THEN
6731	gamma_out(5) = gamma_h2so43 / gamma_hhso42
6732	ENDIF
6733	!
6734	!-- Ionic activity coefficient product
6735	act_product = gamma_h2so43 / gamma_hhso42
6736	!
6737	!-- Solve the quadratic equation (i.e. x in ax**2 + bx + c = 0)
6738	a = 1.0_wp
6739	b = -1.0_wp * ( ions(4) + ions(1) + ( ( water_total * 18.0E-3_wp ) / &
6740	( 99.0_wp * act_product ) ) )
6741	c = ions(4) * ions(1)
6742	root1 = ( ( -1.0_wp * b ) + ( ( ( b*2 ) - 4.0_wp a * c )*0.5_wp ) ) / ( 2.0_wp a )
6743	root2 = ( ( -1.0_wp * b ) - ( ( ( b*2 ) - 4.0_wp a * c) *0.5_wp ) ) / ( 2.0_wp a )
6744
6745	IF ( root1 > ions(1) .OR. root1 < 0.0_wp ) THEN
6746	root1 = 0.0_wp
6747	ENDIF
6748
6749	IF ( root2 > ions(1) .OR. root2 < 0.0_wp ) THEN
6750	root2 = 0.0_wp
6751	ENDIF
6752	!
6753	!-- Calculate the new hydrogen ion, bisulphate ion and sulphate ion
6754	!-- concentration
6755	h_real = ions(1)
6756	so4_real = ions(4)
6757	hso4_real = MAX( root1, root2 )
6758	h_real = ions(1) - hso4_real
6759	so4_real = ions(4) - hso4_real
6760	!
6761	!-- Recalculate ion molalities
6762	ions_mol(1) = h_real / ( water_total * 18.01528E-3_wp ) ! H+
6763	ions_mol(4) = so4_real / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6764	ions_mol(5) = hso4_real / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6765
6766	h_out = h_real
6767	hso4_out = hso4_real
6768	so4_out = so4_real
6769
6770	ELSE
6771	h_out = ions(1)
6772	hso4_out = 0.0_wp
6773	so4_out = ions(4)
6774	ENDIF
6775
6776	!
6777	!-- 4) ACTIVITY COEFFICIENTS -for vapour pressures of HNO3,HCL and NH3
6778	!
6779	!-- This section evaluates activity coefficients and vapour pressures using the water content
6780	!-- calculated above) for each inorganic condensing species: a - HNO3, b - NH3, c - HCL.
6781	!-- The following procedure is used: Zaveri et al (2005) found that one could express the variation
6782	!-- of activity coefficients linearly in log-space if equivalent mole fractions were used.
6783	!-- So, by a taylor series expansion LOG( activity coefficient ) =
6784	!-- LOG( binary activity coefficient at a given RH ) +
6785	!-- (equivalent mole fraction compound A) *
6786	!-- ('interaction' parameter between A and condensing species) +
6787	!-- equivalent mole fraction compound B) *
6788	!-- ('interaction' parameter between B and condensing species).
6789	!-- Here, the interaction parameters have been fit to ADDEM by searching the whole compositon space
6790	!-- and fit usign the Levenberg-Marquardt non-linear least squares algorithm.
6791	!
6792	!-- They are given as a function of RH and vary with complexity ranging from linear to 5th order
6793	!-- polynomial expressions, the binary activity coefficients were calculated using AIM online.
6794	!-- NOTE: for NH3, no binary activity coefficient was used and the data were fit to the ratio of the
6795	!-- activity coefficients for the ammonium and hydrogen ions. Once the activity coefficients are
6796	!-- obtained the vapour pressure can be easily calculated using tabulated equilibrium constants
6797	!-- (referenced). This procedure differs from that of Zaveri et al (2005) in that it is not assumed
6798	!-- one can carry behaviour from binary mixtures in multicomponent systems. To this end we have fit
6799	!-- the 'interaction' parameters explicitly to a general inorganic equilibrium model
6800	!-- (ADDEM - Topping et al. 2005a,b). Such parameters take into account bisulphate ion dissociation
6801	!-- and water content. This also allows us to consider one regime for all composition space, rather
6802	!-- than defining sulphate rich and sulphate poor regimes.
6803	!-- NOTE: The flags "binary_case" and "full_complexity" are not used in this prototype. They are
6804	!-- used for simplification of the fit expressions when using limited composition regions.
6805	!
6806	!-- a) - ACTIVITY COEFF/VAPOUR PRESSURE - HNO3
6807	IF ( ions(1) > 0.0_wp .AND. ions(6) > 0.0_wp ) THEN
6808	binary_case = 1
6809	IF ( rh > 0.1_wp .AND. rh < 0.98_wp ) THEN
6810	IF ( binary_case == 1 ) THEN
6811	binary_hno3 = 1.8514_wp * rh*3 - 4.6991_wp rh*2 + 1.5514_wp rh + 0.90236_wp
6812	ELSEIF ( binary_case == 2 ) THEN
6813	binary_hno3 = - 1.1751_wp * ( rh*2 ) - 0.53794_wp rh + 1.2808_wp
6814	ENDIF
6815	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
6816	binary_hno3 = 1244.69635941351_wp * rh*3 - 2613.93941099991_wp rh**2 + &
6817	1525.0684974546_wp * rh -155.946764059316_wp
6818	ENDIF
6819	!
6820	!-- Contributions from other solutes
6821	full_complexity = 1
6822	IF ( hydrochloric_acid > 0.0_wp ) THEN ! HCL
6823	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6824	hcl_hno3 = 16.051_wp * rh*4 - 44.357_wp rh*3 + 45.141_wp rh*2 - 21.638_wp &
6825	rh + 4.8182_wp
6826	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6827	hcl_hno3 = - 1.5833_wp * rh + 1.5569_wp
6828	ENDIF
6829	ENDIF
6830
6831	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
6832	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6833	h2so4_hno3 = - 3.0849_wp * rh*3 + 5.9609_wp rh*2 - 4.468_wp rh + 1.5658_wp
6834	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6835	h2so4_hno3 = - 0.93473_wp * rh + 0.9363_wp
6836	ENDIF
6837	ENDIF
6838
6839	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
6840	nh42so4_hno3 = 16.821_wp * rh*3 - 28.391_wp rh*2 + 18.133_wp rh - 6.7356_wp
6841	ENDIF
6842
6843	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
6844	nh4no3_hno3 = 11.01_wp * rh*3 - 21.578_wp rh*2 + 14.808_wp rh - 4.2593_wp
6845	ENDIF
6846
6847	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
6848	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6849	nh4cl_hno3 = - 1.176_wp * rh*3 + 5.0828_wp rh*2 - 3.8792_wp rh - 0.05518_wp
6850	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6851	nh4cl_hno3 = 2.6219_wp * rh*2 - 2.2609_wp rh - 0.38436_wp
6852	ENDIF
6853	ENDIF
6854
6855	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
6856	na2so4_hno3 = 35.504_wp * rh*4 - 80.101_wp rh*3 + 67.326_wp rh*2 - 28.461_wp &
6857	rh + 5.6016_wp
6858	ENDIF
6859
6860	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
6861	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6862	nano3_hno3 = 23.659_wp * rh*5 - 66.917_wp rh*4 + 74.686_wp rh*3 - 40.795_wp &
6863	rh*2 + 10.831_wp rh - 1.4701_wp
6864	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6865	nano3_hno3 = 14.749_wp * rh*4 - 35.237_wp rh*3 + 31.196_wp rh*2 - 12.076_wp &
6866	rh + 1.3605_wp
6867	ENDIF
6868	ENDIF
6869
6870	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
6871	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6872	nacl_hno3 = 13.682_wp * rh*4 - 35.122_wp rh*3 + 33.397_wp rh*2 - 14.586_wp &
6873	rh + 2.6276_wp
6874	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6875	nacl_hno3 = 1.1882_wp * rh*3 - 1.1037_wp rh*2 - 0.7642_wp rh + 0.6671_wp
6876	ENDIF
6877	ENDIF
6878
6879	ln_hno3_act = binary_hno3 + hydrochloric_acid_eq_frac * hcl_hno3 + &
6880	sulphuric_acid_eq_frac * h2so4_hno3 + &
6881	ammonium_sulphate_eq_frac * nh42so4_hno3 + &
6882	ammonium_nitrate_eq_frac * nh4no3_hno3 + &
6883	ammonium_chloride_eq_frac * nh4cl_hno3 + &
6884	sodium_sulphate_eq_frac * na2so4_hno3 + &
6885	sodium_nitrate_eq_frac * nano3_hno3 + sodium_chloride_eq_frac * nacl_hno3
6886
6887	gamma_hno3 = EXP( ln_hno3_act ) ! Molal activity coefficient of HNO3
6888	gamma_out(1) = gamma_hno3
6889	!
6890	!-- Partial pressure calculation
6891	!-- k_hno3 = 2.51 * ( 10**6 )
6892	!-- k_hno3 = 2.628145923d6 !< calculated by AIM online (Clegg et al 1998) after Chameides (1984)
6893	k_hno3 = 2.6E6_wp * EXP( 8700.0_wp * henrys_temp_dep )
6894	press_hno3 = ( ions_mol(1) * ions_mol(6) * ( gamma_hno3**2 ) ) / k_hno3
6895	ENDIF
6896	!
6897	!-- b) - ACTIVITY COEFF/VAPOUR PRESSURE - NH3
6898	!-- Follow the two solute approach of Zaveri et al. (2005)
6899	IF ( ions(2) > 0.0_wp .AND. ions_mol(1) > 0.0_wp ) THEN
6900	!
6901	!-- NH4HSO4:
6902	binary_nh4hso4 = 56.907_wp * rh*6 - 155.32_wp rh*5 + 142.94_wp rh*4 - 32.298_wp &
6903	rh*3 - 27.936_wp rh*2 + 19.502_wp rh - 4.2618_wp
6904	IF ( nitric_acid > 0.0_wp) THEN ! HNO3
6905	hno3_nh4hso4 = 104.8369_wp * rh*8 - 288.8923_wp rh*7 + 129.3445_wp rh**6 + &
6906	373.0471_wp * rh*5 - 571.0385_wp rh*4 + 326.3528_wp rh**3 - &
6907	74.169_wp * rh*2 - 2.4999_wp rh + 3.17_wp
6908	ENDIF
6909
6910	IF ( hydrochloric_acid > 0.0_wp) THEN ! HCL
6911	hcl_nh4hso4 = - 7.9133_wp * rh*8 + 126.6648_wp rh*7 - 460.7425_wp rh**6 + &
6912	731.606_wp * rh*5 - 582.7467_wp rh*4 + 216.7197_wp rh**3 - &
6913	11.3934_wp * rh*2 - 17.7728_wp rh + 5.75_wp
6914	ENDIF
6915
6916	IF ( sulphuric_acid > 0.0_wp) THEN ! H2SO4
6917	h2so4_nh4hso4 = 195.981_wp * rh*8 - 779.2067_wp rh*7 + 1226.3647_wp rh**6 - &
6918	964.0261_wp * rh*5 + 391.7911_wp rh*4 - 84.1409_wp rh**3 + &
6919	20.0602_wp * rh*2 - 10.2663_wp rh + 3.5817_wp
6920	ENDIF
6921
6922	IF ( ammonium_sulphate > 0.0_wp) THEN ! NH42SO4
6923	nh42so4_nh4hso4 = 617.777_wp * rh*8 - 2547.427_wp rh*7 + 4361.6009_wp rh**6 - &
6924	4003.162_wp * rh*5 + 2117.8281_wp rh*4 - 640.0678_wp rh**3 + &
6925	98.0902_wp * rh*2 - 2.2615_wp rh - 2.3811_wp
6926	ENDIF
6927
6928	IF ( ammonium_nitrate > 0.0_wp) THEN ! NH4NO3
6929	nh4no3_nh4hso4 = - 104.4504_wp * rh*8 + 539.5921_wp rh*7 - 1157.0498_wp rh**6 + &
6930	1322.4507_wp * rh*5 - 852.2475_wp rh*4 + 298.3734_wp rh**3 - &
6931	47.0309_wp * rh*2 + 1.297_wp rh - 0.8029_wp
6932	ENDIF
6933
6934	IF ( ammonium_chloride > 0.0_wp) THEN ! NH4Cl
6935	nh4cl_nh4hso4 = 258.1792_wp * rh*8 - 1019.3777_wp rh*7 + 1592.8918_wp rh**6 - &
6936	1221.0726_wp * rh*5 + 442.2548_wp rh*4 - 43.6278_wp rh**3 - &
6937	7.5282_wp * rh*2 - 3.8459_wp rh + 2.2728_wp
6938	ENDIF
6939
6940	IF ( sodium_sulphate > 0.0_wp) THEN ! Na2SO4
6941	na2so4_nh4hso4 = 225.4238_wp * rh*8 - 732.4113_wp rh*7 + 843.7291_wp rh**6 - &
6942	322.7328_wp * rh*5 - 88.6252_wp rh*4 + 72.4434_wp rh**3 + &
6943	22.9252_wp * rh*2 - 25.3954_wp rh + 4.6971_wp
6944	ENDIF
6945
6946	IF ( sodium_nitrate > 0.0_wp) THEN ! NaNO3
6947	nano3_nh4hso4 = 96.1348_wp * rh*8 - 341.6738_wp rh*7 + 406.5314_wp rh**6 - &
6948	98.5777_wp * rh*5 - 172.8286_wp rh*4 + 149.3151_wp rh**3 - &
6949	38.9998_wp * rh*2 - 0.2251_wp rh + 0.4953_wp
6950	ENDIF
6951
6952	IF ( sodium_chloride > 0.0_wp) THEN ! NaCl
6953	nacl_nh4hso4 = 91.7856_wp * rh*8 - 316.6773_wp rh*7 + 358.2703_wp rh**6 - &
6954	68.9142_wp * rh*5 - 156.5031_wp rh*4 + 116.9592_wp rh**3 - &
6955	22.5271_wp * rh*2 - 3.7716_wp rh + 1.56_wp
6956	ENDIF
6957
6958	ln_nh4hso4_act = binary_nh4hso4 + nitric_acid_eq_frac * hno3_nh4hso4 + &
6959	hydrochloric_acid_eq_frac * hcl_nh4hso4 + &
6960	sulphuric_acid_eq_frac * h2so4_nh4hso4 + &
6961	ammonium_sulphate_eq_frac * nh42so4_nh4hso4 + &
6962	ammonium_nitrate_eq_frac * nh4no3_nh4hso4 + &
6963	ammonium_chloride_eq_frac * nh4cl_nh4hso4 + &
6964	sodium_sulphate_eq_frac * na2so4_nh4hso4 + &
6965	sodium_nitrate_eq_frac * nano3_nh4hso4 + &
6966	sodium_chloride_eq_frac * nacl_nh4hso4
6967
6968	gamma_nh4hso4 = EXP( ln_nh4hso4_act ) ! molal act. coefficient of NH4HSO4
6969	!
6970	!-- Molal activity coefficient of NO3-
6971	gamma_out(6) = gamma_nh4hso4
6972	!
6973	!-- Molal activity coefficient of NH4+
6974	gamma_nh3 = gamma_nh4hso42 / gamma_hhso42
6975	gamma_out(3) = gamma_nh3
6976	!
6977	!-- This actually represents the ratio of the ammonium to hydrogen ion activity coefficients
6978	!-- (see Zaveri paper) - multiply this by the ratio of the ammonium to hydrogen ion molality and
6979	!-- the ratio of appropriate equilibrium constants
6980	!
6981	!-- Equilibrium constants
6982	!-- k_h = 57.64d0 ! Zaveri et al. (2005)
6983	k_h = 5.8E1_wp * EXP( 4085.0_wp * henrys_temp_dep ) ! after Chameides (1984)
6984	!-- k_nh4 = 1.81E-5_wp ! Zaveri et al. (2005)
6985	k_nh4 = 1.7E-5_wp * EXP( -4325.0_wp * henrys_temp_dep ) ! Chameides (1984)
6986	!-- k_h2o = 1.01E-14_wp ! Zaveri et al (2005)
6987	k_h2o = 1.E-14_wp * EXP( -6716.0_wp * henrys_temp_dep ) ! Chameides (1984)
6988	!
6989	molality_ratio_nh3 = ions_mol(2) / ions_mol(1)
6990	!
6991	!-- Partial pressure calculation
6992	press_nh3 = molality_ratio_nh3 * gamma_nh3 * ( k_h2o / ( k_h * k_nh4 ) )
6993
6994	ENDIF
6995	!
6996	!-- c) - ACTIVITY COEFF/VAPOUR PRESSURE - HCL
6997	IF ( ions(1) > 0.0_wp .AND. ions(7) > 0.0_wp ) THEN
6998	binary_case = 1
6999	IF ( rh > 0.1_wp .AND. rh < 0.98 ) THEN
7000	IF ( binary_case == 1 ) THEN
7001	binary_hcl = - 5.0179_wp * rh*3 + 9.8816_wp rh*2 - 10.789_wp rh + 5.4737_wp
7002	ELSEIF ( binary_case == 2 ) THEN
7003	binary_hcl = - 4.6221_wp * rh + 4.2633_wp
7004	ENDIF
7005	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
7006	binary_hcl = 775.6111008626_wp * rh*3 - 2146.01320888771_wp rh**2 + &
7007	1969.01979670259_wp * rh - 598.878230033926_wp
7008	ENDIF
7009	ENDIF
7010
7011	IF ( nitric_acid > 0.0_wp ) THEN ! HNO3
7012	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7013	hno3_hcl = 9.6256_wp * rh*4 - 26.507_wp rh*3 + 27.622_wp rh*2 - 12.958_wp rh + &
7014	2.2193_wp
7015	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7016	hno3_hcl = 1.3242_wp * rh*2 - 1.8827_wp rh + 0.55706_wp
7017	ENDIF
7018	ENDIF
7019
7020	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
7021	IF ( full_complexity == 1 .OR. rh <= 0.4 ) THEN
7022	h2so4_hcl = 1.4406_wp * rh*3 - 2.7132_wp rh*2 + 1.014_wp rh + 0.25226_wp
7023	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7024	h2so4_hcl = 0.30993_wp * rh*2 - 0.99171_wp rh + 0.66913_wp
7025	ENDIF
7026	ENDIF
7027
7028	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
7029	nh42so4_hcl = 22.071_wp * rh*3 - 40.678_wp rh*2 + 27.893_wp rh - 9.4338_wp
7030	ENDIF
7031
7032	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
7033	nh4no3_hcl = 19.935_wp * rh*3 - 42.335_wp rh*2 + 31.275_wp rh - 8.8675_wp
7034	ENDIF
7035
7036	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
7037	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7038	nh4cl_hcl = 2.8048_wp * rh*3 - 4.3182_wp rh*2 + 3.1971_wp rh - 1.6824_wp
7039	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7040	nh4cl_hcl = 1.2304_wp * rh*2 - 0.18262_wp rh - 1.0643_wp
7041	ENDIF
7042	ENDIF
7043
7044	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
7045	na2so4_hcl = 36.104_wp * rh*4 - 78.658_wp rh*3 + 63.441_wp rh*2 - 26.727_wp rh + &
7046	5.7007_wp
7047	ENDIF
7048
7049	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
7050	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7051	nano3_hcl = 54.471_wp * rh*5 - 159.42_wp rh*4 + 180.25_wp rh*3 - 98.176_wp rh**2&
7052	+ 25.309_wp * rh - 2.4275_wp
7053	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7054	nano3_hcl = 21.632_wp * rh*4 - 53.088_wp rh*3 + 47.285_wp rh*2 - 18.519_wp rh &
7055	+ 2.6846_wp
7056	ENDIF
7057	ENDIF
7058
7059	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
7060	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
7061	nacl_hcl = 5.4138_wp * rh*4 - 12.079_wp rh*3 + 9.627_wp rh*2 - 3.3164_wp rh + &
7062	0.35224_wp
7063	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
7064	nacl_hcl = 2.432_wp * rh*3 - 4.3453_wp rh*2 + 2.3834_wp rh - 0.4762_wp
7065	ENDIF
7066	ENDIF
7067
7068	ln_HCL_act = binary_hcl + nitric_acid_eq_frac * hno3_hcl + sulphuric_acid_eq_frac * h2so4_hcl +&
7069	ammonium_sulphate_eq_frac * nh42so4_hcl + ammonium_nitrate_eq_frac * nh4no3_hcl + &
7070	ammonium_chloride_eq_frac * nh4cl_hcl + sodium_sulphate_eq_frac * na2so4_hcl + &
7071	sodium_nitrate_eq_frac * nano3_hcl + sodium_chloride_eq_frac * nacl_hcl
7072
7073	gamma_hcl = EXP( ln_HCL_act ) ! Molal activity coefficient
7074	gamma_out(2) = gamma_hcl
7075	!
7076	!-- Equilibrium constant after Wagman et al. (1982) (and NIST database)
7077	k_hcl = 2E6_wp * EXP( 9000.0_wp * henrys_temp_dep )
7078
7079	press_hcl = ( ions_mol(1) * ions_mol(7) * gamma_hcl**2 ) / k_hcl
7080	!
7081	!-- 5) Ion molility output
7082	mols_out = ions_mol
7083
7084	END SUBROUTINE inorganic_pdfite
7085
7086	!------------------------------------------------------------------------------!
7087	! Description:
7088	! ------------
7089	!> Update the particle size distribution. Put particles into corrects bins.
7090	!>
7091	!> Moving-centre method assumed, i.e. particles are allowed to grow to their
7092	!> exact size as long as they are not crossing the fixed diameter bin limits.
7093	!> If the particles in a size bin cross the lower or upper diameter limit, they
7094	!> are all moved to the adjacent diameter bin and their volume is averaged with
7095	!> the particles in the new bin, which then get a new diameter.
7096	!
7097	!> Moving-centre method minimises numerical diffusion.
7098	!------------------------------------------------------------------------------!
7099	SUBROUTINE distr_update( paero )
7100
7101	IMPLICIT NONE
7102
7103	INTEGER(iwp) :: ib !< loop index
7104	INTEGER(iwp) :: mm !< loop index
7105	INTEGER(iwp) :: counti !< number of while loops
7106
7107	LOGICAL :: within_bins !< logical (particle belongs to the bin?)
7108
7109	REAL(wp) :: znfrac !< number fraction to be moved to the larger bin
7110	REAL(wp) :: zvfrac !< volume fraction to be moved to the larger bin
7111	REAL(wp) :: zvexc !< Volume in the grown bin which exceeds the bin upper limit
7112	REAL(wp) :: zvihi !< particle volume at the high end of the bin
7113	REAL(wp) :: zvilo !< particle volume at the low end of the bin
7114	REAL(wp) :: zvpart !< particle volume (m3)
7115	REAL(wp) :: zvrat !< volume ratio of a size bin
7116
7117	real(wp), dimension(nbins_aerosol) :: dummy
7118
7119	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
7120
7121	zvpart = 0.0_wp
7122	zvfrac = 0.0_wp
7123	within_bins = .FALSE.
7124
7125	dummy = paero(:)%numc
7126	!
7127	!-- Check if the volume of the bin is within bin limits after update
7128	counti = 0
7129	DO WHILE ( .NOT. within_bins )
7130	within_bins = .TRUE.
7131	!
7132	!-- Loop from larger to smaller size bins
7133	DO ib = end_subrange_2b-1, start_subrange_1a, -1
7134	mm = 0
7135	IF ( paero(ib)%numc > nclim ) THEN
7136	zvpart = 0.0_wp
7137	zvfrac = 0.0_wp
7138
7139	IF ( ib == end_subrange_2a ) CYCLE
7140	!
7141	!-- Dry volume
7142	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc
7143	!
7144	!-- Smallest bin cannot decrease
7145	IF ( paero(ib)%vlolim > zvpart .AND. ib == start_subrange_1a ) CYCLE
7146	!
7147	!-- Decreasing bins
7148	IF ( paero(ib)%vlolim > zvpart ) THEN
7149	mm = ib - 1
7150	IF ( ib == start_subrange_2b ) mm = end_subrange_1a ! 2b goes to 1a
7151
7152	paero(mm)%numc = paero(mm)%numc + paero(ib)%numc
7153	paero(ib)%numc = 0.0_wp
7154	paero(mm)%volc(:) = paero(mm)%volc(:) + paero(ib)%volc(:)
7155	paero(ib)%volc(:) = 0.0_wp
7156	CYCLE
7157	ENDIF
7158	!
7159	!-- If size bin has not grown, cycle.
7160	!-- Changed by Mona: compare to the arithmetic mean volume, as done originally. Now
7161	!-- particle volume is derived from the geometric mean diameter, not arithmetic (see
7162	!-- SUBROUTINE set_sizebins).
7163	IF ( zvpart <= api6 * ( ( aero(ib)%vhilim + aero(ib)%vlolim ) / ( 2.0_wp * api6 ) ) ) &
7164	CYCLE
7165	!
7166	!-- Avoid precision problems
7167	IF ( ABS( zvpart - api6 * paero(ib)%dmid**3 ) < 1.0E-35_wp ) CYCLE
7168	!
7169	!-- Volume ratio of the size bin
7170	zvrat = paero(ib)%vhilim / paero(ib)%vlolim
7171	!
7172	!-- Particle volume at the low end of the bin
7173	zvilo = 2.0_wp * zvpart / ( 1.0_wp + zvrat )
7174	!
7175	!-- Particle volume at the high end of the bin
7176	zvihi = zvrat * zvilo
7177	!
7178	!-- Volume in the grown bin which exceeds the bin upper limit
7179	zvexc = 0.5_wp * ( zvihi + paero(ib)%vhilim )
7180	!
7181	!-- Number fraction to be moved to the larger bin
7182	znfrac = MIN( 1.0_wp, ( zvihi - paero(ib)%vhilim) / ( zvihi - zvilo ) )
7183	!
7184	!-- Volume fraction to be moved to the larger bin
7185	zvfrac = MIN( 0.99_wp, znfrac * zvexc / zvpart )
7186	IF ( zvfrac < 0.0_wp ) THEN
7187	message_string = 'Error: zvfrac < 0'
7188	CALL message( 'salsa_mod: distr_update', 'PA0624', 1, 2, 0, 6, 0 )
7189	ENDIF
7190	!
7191	!-- Update bin
7192	mm = ib + 1
7193	!
7194	!-- Volume (cm3/cm3)
7195	paero(mm)%volc(:) = paero(mm)%volc(:) + znfrac * paero(ib)%numc * zvexc * &
7196	paero(ib)%volc(:) / SUM( paero(ib)%volc(1:7) )
7197	paero(ib)%volc(:) = paero(ib)%volc(:) - znfrac * paero(ib)%numc * zvexc * &
7198	paero(ib)%volc(:) / SUM( paero(ib)%volc(1:7) )
7199
7200	!-- Number concentration (#/m3)
7201	paero(mm)%numc = paero(mm)%numc + znfrac * paero(ib)%numc
7202	paero(ib)%numc = paero(ib)%numc * ( 1.0_wp - znfrac )
7203
7204	ENDIF ! nclim
7205
7206	IF ( paero(ib)%numc > nclim ) THEN
7207	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc ! Note: dry volume!
7208	within_bins = ( paero(ib)%vlolim < zvpart .AND. zvpart < paero(ib)%vhilim )
7209	ENDIF
7210
7211	ENDDO ! - ib
7212
7213	counti = counti + 1
7214	IF ( counti > 100 ) THEN
7215	message_string = 'Error: Aerosol bin update not converged'
7216	CALL message( 'salsa_mod: distr_update', 'PA0625', 1, 2, 0, 6, 0 )
7217	ENDIF
7218
7219	ENDDO ! - within bins
7220
7221	END SUBROUTINE distr_update
7222
7223	!------------------------------------------------------------------------------!
7224	! Description:
7225	! ------------
7226	!> salsa_diagnostics: Update properties for the current timestep:
7227	!>
7228	!> Juha Tonttila, FMI, 2014
7229	!> Tomi Raatikainen, FMI, 2016
7230	!------------------------------------------------------------------------------!
7231	SUBROUTINE salsa_diagnostics( i, j )
7232
7233	USE cpulog, &
7234	ONLY: cpu_log, log_point_s
7235
7236	IMPLICIT NONE
7237
7238	INTEGER(iwp) :: ib !<
7239	INTEGER(iwp) :: ic !<
7240	INTEGER(iwp) :: icc !<
7241	INTEGER(iwp) :: ig !<
7242	INTEGER(iwp) :: k !<
7243
7244	INTEGER(iwp), INTENT(in) :: i !<
7245	INTEGER(iwp), INTENT(in) :: j !<
7246
7247	REAL(wp), DIMENSION(nzb:nzt+1) :: flag !< flag to mask topography
7248	REAL(wp), DIMENSION(nzb:nzt+1) :: flag_zddry !< flag to mask zddry
7249	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
7250	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure
7251	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
7252	REAL(wp), DIMENSION(nzb:nzt+1) :: mcsum !< sum of mass concentration
7253	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor: ppm to #/m3
7254	REAL(wp), DIMENSION(nzb:nzt+1) :: zddry !< particle dry diameter
7255	REAL(wp), DIMENSION(nzb:nzt+1) :: zvol !< particle volume
7256
7257	flag_zddry = 0.0_wp
7258	in_adn = 0.0_wp
7259	in_p = 0.0_wp
7260	in_t = 0.0_wp
7261	ppm_to_nconc = 1.0_wp
7262	zddry = 0.0_wp
7263	zvol = 0.0_wp
7264
7265	!$OMP MASTER
7266	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'start' )
7267	!$OMP END MASTER
7268
7269	!
7270	!-- Calculate thermodynamic quantities needed in SALSA
7271	CALL salsa_thrm_ij( i, j, p_ij=in_p, temp_ij=in_t, adn_ij=in_adn )
7272	!
7273	!-- Calculate conversion factors for gas concentrations
7274	ppm_to_nconc = for_ppm_to_nconc * in_p / in_t
7275	!
7276	!-- Predetermine flag to mask topography
7277	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(:,j,i), 0 ) )
7278
7279	DO ib = 1, nbins_aerosol ! aerosol size bins
7280	!
7281	!-- Remove negative values
7282	aerosol_number(ib)%conc(:,j,i) = MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) * flag
7283	!
7284	!-- Calculate total mass concentration per bin
7285	mcsum = 0.0_wp
7286	DO ic = 1, ncomponents_mass
7287	icc = ( ic - 1 ) * nbins_aerosol + ib
7288	mcsum = mcsum + aerosol_mass(icc)%conc(:,j,i) * flag
7289	aerosol_mass(icc)%conc(:,j,i) = MAX( mclim, aerosol_mass(icc)%conc(:,j,i) ) * flag
7290	ENDDO
7291	!
7292	!-- Check that number and mass concentration match qualitatively
7293	IF ( ANY( aerosol_number(ib)%conc(:,j,i) > nclim .AND. mcsum <= 0.0_wp ) ) THEN
7294	DO k = nzb+1, nzt
7295	IF ( aerosol_number(ib)%conc(k,j,i) >= nclim .AND. mcsum(k) <= 0.0_wp ) THEN
7296	aerosol_number(ib)%conc(k,j,i) = nclim * flag(k)
7297	DO ic = 1, ncomponents_mass
7298	icc = ( ic - 1 ) * nbins_aerosol + ib
7299	aerosol_mass(icc)%conc(k,j,i) = mclim * flag(k)
7300	ENDDO
7301	ENDIF
7302	ENDDO
7303	ENDIF
7304	!
7305	!-- Update aerosol particle radius
7306	CALL bin_mixrat( 'dry', ib, i, j, zvol )
7307	zvol = zvol / arhoh2so4 ! Why on sulphate?
7308	!
7309	!-- Particles smaller then 0.1 nm diameter are set to zero
7310	zddry = ( zvol / MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) / api6 )**0.33333333_wp
7311	flag_zddry = MERGE( 1.0_wp, 0.0_wp, ( zddry < 1.0E-10_wp .AND. &
7312	aerosol_number(ib)%conc(:,j,i) > nclim ) )
7313	!
7314	!-- Volatile species to the gas phase
7315	IF ( index_so4 > 0 .AND. lscndgas ) THEN
7316	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
7317	IF ( salsa_gases_from_chem ) THEN
7318	ig = gas_index_chem(1)
7319	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7320	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7321	( amh2so4 * ppm_to_nconc ) * flag
7322	ELSE
7323	salsa_gas(1)%conc(:,j,i) = salsa_gas(1)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7324	amh2so4 * avo * flag_zddry * flag
7325	ENDIF
7326	ENDIF
7327	IF ( index_oc > 0 .AND. lscndgas ) THEN
7328	ic = ( index_oc - 1 ) * nbins_aerosol + ib
7329	IF ( salsa_gases_from_chem ) THEN
7330	ig = gas_index_chem(5)
7331	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7332	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7333	( amoc * ppm_to_nconc ) * flag
7334	ELSE
7335	salsa_gas(5)%conc(:,j,i) = salsa_gas(5)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7336	amoc * avo * flag_zddry * flag
7337	ENDIF
7338	ENDIF
7339	IF ( index_no > 0 .AND. lscndgas ) THEN
7340	ic = ( index_no - 1 ) * nbins_aerosol + ib
7341	IF ( salsa_gases_from_chem ) THEN
7342	ig = gas_index_chem(2)
7343	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7344	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7345	( amhno3 * ppm_to_nconc ) *flag
7346	ELSE
7347	salsa_gas(2)%conc(:,j,i) = salsa_gas(2)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7348	amhno3 * avo * flag_zddry * flag
7349	ENDIF
7350	ENDIF
7351	IF ( index_nh > 0 .AND. lscndgas ) THEN
7352	ic = ( index_nh - 1 ) * nbins_aerosol + ib
7353	IF ( salsa_gases_from_chem ) THEN
7354	ig = gas_index_chem(3)
7355	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7356	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7357	( amnh3 * ppm_to_nconc ) *flag
7358	ELSE
7359	salsa_gas(3)%conc(:,j,i) = salsa_gas(3)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7360	amnh3 * avo * flag_zddry *flag
7361	ENDIF
7362	ENDIF
7363	!
7364	!-- Mass and number to zero (insoluble species and water are lost)
7365	DO ic = 1, ncomponents_mass
7366	icc = ( ic - 1 ) * nbins_aerosol + ib
7367	aerosol_mass(icc)%conc(:,j,i) = MERGE( mclim * flag, aerosol_mass(icc)%conc(:,j,i), &
7368	flag_zddry > 0.0_wp )
7369	ENDDO
7370	aerosol_number(ib)%conc(:,j,i) = MERGE( nclim * flag, aerosol_number(ib)%conc(:,j,i), &
7371	flag_zddry > 0.0_wp )
7372	ra_dry(:,j,i,ib) = MAX( 1.0E-10_wp, 0.5_wp * zddry )
7373
7374	ENDDO
7375	IF ( .NOT. salsa_gases_from_chem ) THEN
7376	DO ig = 1, ngases_salsa
7377	salsa_gas(ig)%conc(:,j,i) = MAX( nclim, salsa_gas(ig)%conc(:,j,i) ) * flag
7378	ENDDO
7379	ENDIF
7380
7381	!$OMP MASTER
7382	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'stop' )
7383	!$OMP END MASTER
7384
7385	END SUBROUTINE salsa_diagnostics
7386
7387
7388	!------------------------------------------------------------------------------!
7389	! Description:
7390	! ------------
7391	!> Call for all grid points
7392	!------------------------------------------------------------------------------!
7393	SUBROUTINE salsa_actions( location )
7394
7395
7396	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7397
7398	SELECT CASE ( location )
7399
7400	CASE ( 'before_timestep' )
7401
7402	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7403
7404	CASE DEFAULT
7405	CONTINUE
7406
7407	END SELECT
7408
7409	END SUBROUTINE salsa_actions
7410
7411
7412	!------------------------------------------------------------------------------!
7413	! Description:
7414	! ------------
7415	!> Call for grid points i,j
7416	!------------------------------------------------------------------------------!
7417
7418	SUBROUTINE salsa_actions_ij( i, j, location )
7419
7420
7421	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7422	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7423	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7424	INTEGER(iwp) :: dummy !< call location string
7425
7426	IF ( salsa ) dummy = i + j
7427
7428	SELECT CASE ( location )
7429
7430	CASE ( 'before_timestep' )
7431
7432	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7433
7434	CASE DEFAULT
7435	CONTINUE
7436
7437	END SELECT
7438
7439
7440	END SUBROUTINE salsa_actions_ij
7441
7442	!------------------------------------------------------------------------------!
7443	! Description:
7444	! ------------
7445	!> Call for all grid points
7446	!------------------------------------------------------------------------------!
7447	SUBROUTINE salsa_non_advective_processes
7448
7449	USE cpulog, &
7450	ONLY: cpu_log, log_point_s
7451
7452	IMPLICIT NONE
7453
7454	INTEGER(iwp) :: i !<
7455	INTEGER(iwp) :: j !<
7456
7457	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7458	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7459	!
7460	!-- Calculate aerosol dynamic processes. salsa_driver can be run with a longer time step.
7461	CALL cpu_log( log_point_s(90), 'salsa processes ', 'start' )
7462	DO i = nxl, nxr
7463	DO j = nys, nyn
7464	CALL salsa_diagnostics( i, j )
7465	CALL salsa_driver( i, j, 3 )
7466	CALL salsa_diagnostics( i, j )
7467	ENDDO
7468	ENDDO
7469	CALL cpu_log( log_point_s(90), 'salsa processes ', 'stop' )
7470	ENDIF
7471	ENDIF
7472
7473	END SUBROUTINE salsa_non_advective_processes
7474
7475
7476	!------------------------------------------------------------------------------!
7477	! Description:
7478	! ------------
7479	!> Call for grid points i,j
7480	!------------------------------------------------------------------------------!
7481	SUBROUTINE salsa_non_advective_processes_ij( i, j )
7482
7483	USE cpulog, &
7484	ONLY: cpu_log, log_point_s
7485
7486	IMPLICIT NONE
7487
7488	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7489	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7490
7491	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7492	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7493	!
7494	!-- Calculate aerosol dynamic processes. salsa_driver can be run with a longer time step.
7495	CALL cpu_log( log_point_s(90), 'salsa processes ', 'start' )
7496	CALL salsa_diagnostics( i, j )
7497	CALL salsa_driver( i, j, 3 )
7498	CALL salsa_diagnostics( i, j )
7499	CALL cpu_log( log_point_s(90), 'salsa processes ', 'stop' )
7500	ENDIF
7501	ENDIF
7502
7503	END SUBROUTINE salsa_non_advective_processes_ij
7504
7505	!------------------------------------------------------------------------------!
7506	! Description:
7507	! ------------
7508	!> Routine for exchange horiz of salsa variables.
7509	!------------------------------------------------------------------------------!
7510	SUBROUTINE salsa_exchange_horiz_bounds
7511
7512	USE cpulog, &
7513	ONLY: cpu_log, log_point_s
7514
7515	IMPLICIT NONE
7516
7517	INTEGER(iwp) :: ib !<
7518	INTEGER(iwp) :: ic !<
7519	INTEGER(iwp) :: icc !<
7520	INTEGER(iwp) :: ig !<
7521
7522	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7523	IF ( ( time_since_reference_point - last_salsa_time ) >= dt_salsa ) THEN
7524
7525	CALL cpu_log( log_point_s(91), 'salsa exch-horiz ', 'start' )
7526	!
7527	!-- Exchange ghost points and decycle if needed.
7528	DO ib = 1, nbins_aerosol
7529	CALL exchange_horiz( aerosol_number(ib)%conc, nbgp )
7530	CALL salsa_boundary_conds( aerosol_number(ib)%conc, aerosol_number(ib)%init )
7531	DO ic = 1, ncomponents_mass
7532	icc = ( ic - 1 ) * nbins_aerosol + ib
7533	CALL exchange_horiz( aerosol_mass(icc)%conc, nbgp )
7534	CALL salsa_boundary_conds( aerosol_mass(icc)%conc, aerosol_mass(icc)%init )
7535	ENDDO
7536	ENDDO
7537	IF ( .NOT. salsa_gases_from_chem ) THEN
7538	DO ig = 1, ngases_salsa
7539	CALL exchange_horiz( salsa_gas(ig)%conc, nbgp )
7540	CALL salsa_boundary_conds( salsa_gas(ig)%conc, salsa_gas(ig)%init )
7541	ENDDO
7542	ENDIF
7543	CALL cpu_log( log_point_s(91), 'salsa exch-horiz ', 'stop' )
7544	!
7545	!-- Update last_salsa_time
7546	last_salsa_time = time_since_reference_point
7547	ENDIF
7548	ENDIF
7549
7550	END SUBROUTINE salsa_exchange_horiz_bounds
7551
7552	!------------------------------------------------------------------------------!
7553	! Description:
7554	! ------------
7555	!> Calculate the prognostic equation for aerosol number and mass, and gas
7556	!> concentrations. Cache-optimized.
7557	!------------------------------------------------------------------------------!
7558	SUBROUTINE salsa_prognostic_equations_ij( i, j, i_omp_start, tn )
7559
7560	IMPLICIT NONE
7561
7562	INTEGER(iwp) :: i !<
7563	INTEGER(iwp) :: i_omp_start !<
7564	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7565	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7566	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7567	INTEGER(iwp) :: ig !< loop index for salsa gases
7568	INTEGER(iwp) :: j !<
7569	INTEGER(iwp) :: tn !<
7570
7571	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7572	!
7573	!-- Aerosol number
7574	DO ib = 1, nbins_aerosol
7575	!kk sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7576	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7577	aerosol_number(ib)%tconc_m, i, j, i_omp_start, tn, ib, ib, &
7578	aerosol_number(ib)%flux_s, aerosol_number(ib)%diss_s, &
7579	aerosol_number(ib)%flux_l, aerosol_number(ib)%diss_l, &
7580	aerosol_number(ib)%init, .TRUE. )
7581	!kk aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7582	!
7583	!-- Aerosol mass
7584	DO ic = 1, ncomponents_mass
7585	icc = ( ic - 1 ) * nbins_aerosol + ib
7586	!kk sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7587	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7588	aerosol_mass(icc)%tconc_m, i, j, i_omp_start, tn, ib, ic, &
7589	aerosol_mass(icc)%flux_s, aerosol_mass(icc)%diss_s, &
7590	aerosol_mass(icc)%flux_l, aerosol_mass(icc)%diss_l, &
7591	aerosol_mass(icc)%init, .TRUE. )
7592	!kk aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7593
7594	ENDDO ! ic
7595	ENDDO ! ib
7596	!
7597	!-- Gases
7598	IF ( .NOT. salsa_gases_from_chem ) THEN
7599
7600	DO ig = 1, ngases_salsa
7601	!kk sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7602	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7603	salsa_gas(ig)%tconc_m, i, j, i_omp_start, tn, ig, ig, &
7604	salsa_gas(ig)%flux_s, salsa_gas(ig)%diss_s, salsa_gas(ig)%flux_l,&
7605	salsa_gas(ig)%diss_l, salsa_gas(ig)%init, .FALSE. )
7606	!kk salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7607
7608	ENDDO ! ig
7609
7610	ENDIF
7611
7612	ENDIF
7613
7614	END SUBROUTINE salsa_prognostic_equations_ij
7615	!
7616	!------------------------------------------------------------------------------!
7617	! Description:
7618	! ------------
7619	!> Calculate the prognostic equation for aerosol number and mass, and gas
7620	!> concentrations. For vector machines.
7621	!------------------------------------------------------------------------------!
7622	SUBROUTINE salsa_prognostic_equations()
7623
7624	IMPLICIT NONE
7625
7626	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7627	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7628	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7629	INTEGER(iwp) :: ig !< loop index for salsa gases
7630
7631	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7632	!
7633	!-- Aerosol number
7634	DO ib = 1, nbins_aerosol
7635	sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7636	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7637	aerosol_number(ib)%tconc_m, ib, ib, aerosol_number(ib)%init, .TRUE. )
7638	aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7639	!
7640	!-- Aerosol mass
7641	DO ic = 1, ncomponents_mass
7642	icc = ( ic - 1 ) * nbins_aerosol + ib
7643	sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7644	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7645	aerosol_mass(icc)%tconc_m, ib, ic, aerosol_mass(icc)%init, .TRUE. )
7646	aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7647
7648	ENDDO ! ic
7649	ENDDO ! ib
7650	!
7651	!-- Gases
7652	IF ( .NOT. salsa_gases_from_chem ) THEN
7653
7654	DO ig = 1, ngases_salsa
7655	sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7656	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7657	salsa_gas(ig)%tconc_m, ig, ig, salsa_gas(ig)%init, .FALSE. )
7658	salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7659
7660	ENDDO ! ig
7661
7662	ENDIF
7663
7664	ENDIF
7665
7666	END SUBROUTINE salsa_prognostic_equations
7667	!
7668	!------------------------------------------------------------------------------!
7669	! Description:
7670	! ------------
7671	!> Tendencies for aerosol number and mass and gas concentrations.
7672	!> Cache-optimized.
7673	!------------------------------------------------------------------------------!
7674	SUBROUTINE salsa_tendency_ij( id, rs_p, rs, trs_m, i, j, i_omp_start, tn, ib, ic, flux_s, diss_s, &
7675	flux_l, diss_l, rs_init, do_sedimentation )
7676
7677	USE advec_ws, &
7678	ONLY: advec_s_ws
7679
7680	USE advec_s_pw_mod, &
7681	ONLY: advec_s_pw
7682
7683	USE advec_s_up_mod, &
7684	ONLY: advec_s_up
7685
7686	USE arrays_3d, &
7687	ONLY: ddzu, rdf_sc, tend
7688
7689	USE diffusion_s_mod, &
7690	ONLY: diffusion_s
7691
7692	USE indices, &
7693	ONLY: wall_flags_0
7694
7695	USE surface_mod, &
7696	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7697
7698	IMPLICIT NONE
7699
7700	CHARACTER(LEN = *) :: id !<
7701
7702	INTEGER(iwp) :: i !<
7703	INTEGER(iwp) :: i_omp_start !<
7704	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7705	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7706	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7707	INTEGER(iwp) :: j !<
7708	INTEGER(iwp) :: k !<
7709	INTEGER(iwp) :: tn !<
7710
7711	LOGICAL :: do_sedimentation !<
7712
7713	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7714
7715	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s !<
7716	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s !<
7717
7718	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l !<
7719	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l !<
7720
7721	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: rs_p !<
7722	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: rs !<
7723	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: trs_m !<
7724
7725	icc = ( ic - 1 ) * nbins_aerosol + ib
7726	!
7727	!-- Tendency-terms for reactive scalar
7728	tend(:,j,i) = 0.0_wp
7729	!
7730	!-- Advection terms
7731	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7732	IF ( ws_scheme_sca ) THEN
7733	CALL advec_s_ws( salsa_advc_flags_s, i, j, rs, id, flux_s, diss_s, flux_l, diss_l, &
7734	i_omp_start, tn, bc_dirichlet_l .OR. bc_radiation_l, &
7735	bc_dirichlet_n .OR. bc_radiation_n, &
7736	bc_dirichlet_r .OR. bc_radiation_r, &
7737	bc_dirichlet_s .OR. bc_radiation_s, monotonic_limiter_z )
7738	ELSE
7739	CALL advec_s_pw( i, j, rs )
7740	ENDIF
7741	ELSE
7742	CALL advec_s_up( i, j, rs )
7743	ENDIF
7744	!
7745	!-- Diffusion terms
7746	SELECT CASE ( id )
7747	CASE ( 'aerosol_number' )
7748	CALL diffusion_s( i, j, rs, surf_def_h(0)%answs(:,ib), &
7749	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
7750	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
7751	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
7752	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
7753	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
7754	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
7755	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
7756	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
7757	CASE ( 'aerosol_mass' )
7758	CALL diffusion_s( i, j, rs, surf_def_h(0)%amsws(:,icc), &
7759	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
7760	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
7761	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
7762	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
7763	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
7764	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
7765	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
7766	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
7767	CASE ( 'salsa_gas' )
7768	CALL diffusion_s( i, j, rs, surf_def_h(0)%gtsws(:,ib), &
7769	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
7770	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
7771	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
7772	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
7773	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
7774	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
7775	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
7776	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
7777	END SELECT
7778	!
7779	!-- Sedimentation and prognostic equation for aerosol number and mass
7780	IF ( lsdepo .AND. do_sedimentation ) THEN
7781	!DIR$ IVDEP
7782	DO k = nzb+1, nzt
7783	tend(k,j,i) = tend(k,j,i) - MAX( 0.0_wp, ( rs(k+1,j,i) * sedim_vd(k+1,j,i,ib) - &
7784	rs(k,j,i) * sedim_vd(k,j,i,ib) ) * ddzu(k) ) &
7785	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k-1,j,i), 0 ) )
7786	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7787	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) ) &
7788	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7789	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7790	ENDDO
7791	ELSE
7792	!
7793	!-- Prognostic equation
7794	!DIR$ IVDEP
7795	DO k = nzb+1, nzt
7796	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7797	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) )&
7798	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7799	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7800	ENDDO
7801	ENDIF
7802	!
7803	!-- Calculate tendencies for the next Runge-Kutta step
7804	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7805	IF ( intermediate_timestep_count == 1 ) THEN
7806	DO k = nzb+1, nzt
7807	trs_m(k,j,i) = tend(k,j,i)
7808	ENDDO
7809	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
7810	DO k = nzb+1, nzt
7811	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
7812	ENDDO
7813	ENDIF
7814	ENDIF
7815
7816	END SUBROUTINE salsa_tendency_ij
7817	!
7818	!------------------------------------------------------------------------------!
7819	! Description:
7820	! ------------
7821	!> Calculate the tendencies for aerosol number and mass concentrations.
7822	!> For vector machines.
7823	!------------------------------------------------------------------------------!
7824	SUBROUTINE salsa_tendency( id, rs_p, rs, trs_m, ib, ic, rs_init, do_sedimentation )
7825
7826	USE advec_ws, &
7827	ONLY: advec_s_ws
7828	USE advec_s_pw_mod, &
7829	ONLY: advec_s_pw
7830	USE advec_s_up_mod, &
7831	ONLY: advec_s_up
7832	USE arrays_3d, &
7833	ONLY: ddzu, rdf_sc, tend
7834	USE diffusion_s_mod, &
7835	ONLY: diffusion_s
7836	USE indices, &
7837	ONLY: wall_flags_0
7838	USE surface_mod, &
7839	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7840
7841	IMPLICIT NONE
7842
7843	CHARACTER(LEN = *) :: id
7844
7845	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7846	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7847	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7848	INTEGER(iwp) :: i !<
7849	INTEGER(iwp) :: j !<
7850	INTEGER(iwp) :: k !<
7851
7852	LOGICAL :: do_sedimentation !<
7853
7854	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7855
7856	REAL(wp), DIMENSION(:,:,:), POINTER :: rs_p !<
7857	REAL(wp), DIMENSION(:,:,:), POINTER :: rs !<
7858	REAL(wp), DIMENSION(:,:,:), POINTER :: trs_m !<
7859
7860	icc = ( ic - 1 ) * nbins_aerosol + ib
7861	!
7862	!-- Tendency-terms for reactive scalar
7863	tend = 0.0_wp
7864	!
7865	!-- Advection terms
7866	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7867	IF ( ws_scheme_sca ) THEN
7868	CALL advec_s_ws( salsa_advc_flags_s, rs, id, bc_dirichlet_l .OR. bc_radiation_l, &
7869	bc_dirichlet_n .OR. bc_radiation_n, &
7870	bc_dirichlet_r .OR. bc_radiation_r, &
7871	bc_dirichlet_s .OR. bc_radiation_s )
7872	ELSE
7873	CALL advec_s_pw( rs )
7874	ENDIF
7875	ELSE
7876	CALL advec_s_up( rs )
7877	ENDIF
7878	!
7879	!-- Diffusion terms
7880	SELECT CASE ( id )
7881	CASE ( 'aerosol_number' )
7882	CALL diffusion_s( rs, surf_def_h(0)%answs(:,ib), &
7883	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
7884	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
7885	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
7886	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
7887	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
7888	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
7889	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
7890	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
7891	CASE ( 'aerosol_mass' )
7892	CALL diffusion_s( rs, surf_def_h(0)%amsws(:,icc), &
7893	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
7894	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
7895	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
7896	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
7897	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
7898	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
7899	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
7900	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
7901	CASE ( 'salsa_gas' )
7902	CALL diffusion_s( rs, surf_def_h(0)%gtsws(:,ib), &
7903	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
7904	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
7905	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
7906	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
7907	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
7908	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
7909	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
7910	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
7911	END SELECT
7912	!
7913	!-- Prognostic equation for a scalar
7914	DO i = nxl, nxr
7915	DO j = nys, nyn
7916	!
7917	!-- Sedimentation for aerosol number and mass
7918	IF ( lsdepo .AND. do_sedimentation ) THEN
7919	tend(nzb+1:nzt,j,i) = tend(nzb+1:nzt,j,i) - MAX( 0.0_wp, ( rs(nzb+2:nzt+1,j,i) * &
7920	sedim_vd(nzb+2:nzt+1,j,i,ib) - rs(nzb+1:nzt,j,i) * &
7921	sedim_vd(nzb+1:nzt,j,i,ib) ) * ddzu(nzb+1:nzt) ) * &
7922	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(nzb:nzt-1,j,i), 0 ) )
7923	ENDIF
7924	DO k = nzb+1, nzt
7925	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) )&
7926	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) )&
7927	) * MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7928	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7929	ENDDO
7930	ENDDO
7931	ENDDO
7932	!
7933	!-- Calculate tendencies for the next Runge-Kutta step
7934	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7935	IF ( intermediate_timestep_count == 1 ) THEN
7936	DO i = nxl, nxr
7937	DO j = nys, nyn
7938	DO k = nzb+1, nzt
7939	trs_m(k,j,i) = tend(k,j,i)
7940	ENDDO
7941	ENDDO
7942	ENDDO
7943	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
7944	DO i = nxl, nxr
7945	DO j = nys, nyn
7946	DO k = nzb+1, nzt
7947	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
7948	ENDDO
7949	ENDDO
7950	ENDDO
7951	ENDIF
7952	ENDIF
7953
7954	END SUBROUTINE salsa_tendency
7955
7956	!------------------------------------------------------------------------------!
7957	! Description:
7958	! ------------
7959	!> Boundary conditions for prognostic variables in SALSA
7960	!------------------------------------------------------------------------------!
7961	SUBROUTINE salsa_boundary_conds
7962
7963	USE arrays_3d, &
7964	ONLY: dzu
7965
7966	USE surface_mod, &
7967	ONLY : bc_h
7968
7969	IMPLICIT NONE
7970
7971	INTEGER(iwp) :: i !< grid index x direction
7972	INTEGER(iwp) :: ib !< index for aerosol size bins
7973	INTEGER(iwp) :: ic !< index for chemical compounds in aerosols
7974	INTEGER(iwp) :: icc !< additional index for chemical compounds in aerosols
7975	INTEGER(iwp) :: ig !< idex for gaseous compounds
7976	INTEGER(iwp) :: j !< grid index y direction
7977	INTEGER(iwp) :: k !< grid index y direction
7978	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls
7979	INTEGER(iwp) :: m !< running index surface elements
7980
7981	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7982
7983	!
7984	!-- Surface conditions:
7985	IF ( ibc_salsa_b == 0 ) THEN ! Dirichlet
7986	!
7987	!-- Run loop over all non-natural and natural walls. Note, in wall-datatype the k coordinate
7988	!-- belongs to the atmospheric grid point, therefore, set s_p at k-1
7989	DO l = 0, 1
7990	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
7991	!$OMP DO
7992	DO m = 1, bc_h(l)%ns
7993
7994	i = bc_h(l)%i(m)
7995	j = bc_h(l)%j(m)
7996	k = bc_h(l)%k(m)
7997
7998	DO ib = 1, nbins_aerosol
7999	aerosol_number(ib)%conc_p(k+bc_h(l)%koff,j,i) = &
8000	aerosol_number(ib)%conc(k+bc_h(l)%koff,j,i)
8001	DO ic = 1, ncomponents_mass
8002	icc = ( ic - 1 ) * nbins_aerosol + ib
8003	aerosol_mass(icc)%conc_p(k+bc_h(l)%koff,j,i) = &
8004	aerosol_mass(icc)%conc(k+bc_h(l)%koff,j,i)
8005	ENDDO
8006	ENDDO
8007	IF ( .NOT. salsa_gases_from_chem ) THEN
8008	DO ig = 1, ngases_salsa
8009	salsa_gas(ig)%conc_p(k+bc_h(l)%koff,j,i) = &
8010	salsa_gas(ig)%conc(k+bc_h(l)%koff,j,i)
8011	ENDDO
8012	ENDIF
8013
8014	ENDDO
8015	!$OMP END PARALLEL
8016
8017	ENDDO
8018
8019	ELSE ! Neumann
8020
8021	DO l = 0, 1
8022	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
8023	!$OMP DO
8024	DO m = 1, bc_h(l)%ns
8025
8026	i = bc_h(l)%i(m)
8027	j = bc_h(l)%j(m)
8028	k = bc_h(l)%k(m)
8029
8030	DO ib = 1, nbins_aerosol
8031	aerosol_number(ib)%conc_p(k+bc_h(l)%koff,j,i) = &
8032	aerosol_number(ib)%conc_p(k,j,i)
8033	DO ic = 1, ncomponents_mass
8034	icc = ( ic - 1 ) * nbins_aerosol + ib
8035	aerosol_mass(icc)%conc_p(k+bc_h(l)%koff,j,i) = &
8036	aerosol_mass(icc)%conc_p(k,j,i)
8037	ENDDO
8038	ENDDO
8039	IF ( .NOT. salsa_gases_from_chem ) THEN
8040	DO ig = 1, ngases_salsa
8041	salsa_gas(ig)%conc_p(k+bc_h(l)%koff,j,i) = &
8042	salsa_gas(ig)%conc_p(k,j,i)
8043	ENDDO
8044	ENDIF
8045
8046	ENDDO
8047	!$OMP END PARALLEL
8048	ENDDO
8049
8050	ENDIF
8051	!
8052	!-- Top boundary conditions:
8053	IF ( ibc_salsa_t == 0 ) THEN ! Dirichlet
8054
8055	DO ib = 1, nbins_aerosol
8056	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc(nzt+1,:,:)
8057	DO ic = 1, ncomponents_mass
8058	icc = ( ic - 1 ) * nbins_aerosol + ib
8059	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc(nzt+1,:,:)
8060	ENDDO
8061	ENDDO
8062	IF ( .NOT. salsa_gases_from_chem ) THEN
8063	DO ig = 1, ngases_salsa
8064	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc(nzt+1,:,:)
8065	ENDDO
8066	ENDIF
8067
8068	ELSEIF ( ibc_salsa_t == 1 ) THEN ! Neumann
8069
8070	DO ib = 1, nbins_aerosol
8071	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:)
8072	DO ic = 1, ncomponents_mass
8073	icc = ( ic - 1 ) * nbins_aerosol + ib
8074	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:)
8075	ENDDO
8076	ENDDO
8077	IF ( .NOT. salsa_gases_from_chem ) THEN
8078	DO ig = 1, ngases_salsa
8079	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:)
8080	ENDDO
8081	ENDIF
8082
8083	ELSEIF ( ibc_salsa_t == 2 ) THEN ! nested
8084
8085	DO ib = 1, nbins_aerosol
8086	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:) + &
8087	bc_an_t_val(ib) * dzu(nzt+1)
8088	DO ic = 1, ncomponents_mass
8089	icc = ( ic - 1 ) * nbins_aerosol + ib
8090	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:) + &
8091	bc_am_t_val(icc) * dzu(nzt+1)
8092	ENDDO
8093	ENDDO
8094	IF ( .NOT. salsa_gases_from_chem ) THEN
8095	DO ig = 1, ngases_salsa
8096	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:) + &
8097	bc_gt_t_val(ig) * dzu(nzt+1)
8098	ENDDO
8099	ENDIF
8100
8101	ENDIF
8102	!
8103	!-- Lateral boundary conditions at the outflow
8104	IF ( bc_radiation_s ) THEN
8105	DO ib = 1, nbins_aerosol
8106	aerosol_number(ib)%conc_p(:,nys-1,:) = aerosol_number(ib)%conc_p(:,nys,:)
8107	DO ic = 1, ncomponents_mass
8108	icc = ( ic - 1 ) * nbins_aerosol + ib
8109	aerosol_mass(icc)%conc_p(:,nys-1,:) = aerosol_mass(icc)%conc_p(:,nys,:)
8110	ENDDO
8111	ENDDO
8112	IF ( .NOT. salsa_gases_from_chem ) THEN
8113	DO ig = 1, ngases_salsa
8114	salsa_gas(ig)%conc_p(:,nys-1,:) = salsa_gas(ig)%conc_p(:,nys,:)
8115	ENDDO
8116	ENDIF
8117
8118	ELSEIF ( bc_radiation_n ) THEN
8119	DO ib = 1, nbins_aerosol
8120	aerosol_number(ib)%conc_p(:,nyn+1,:) = aerosol_number(ib)%conc_p(:,nyn,:)
8121	DO ic = 1, ncomponents_mass
8122	icc = ( ic - 1 ) * nbins_aerosol + ib
8123	aerosol_mass(icc)%conc_p(:,nyn+1,:) = aerosol_mass(icc)%conc_p(:,nyn,:)
8124	ENDDO
8125	ENDDO
8126	IF ( .NOT. salsa_gases_from_chem ) THEN
8127	DO ig = 1, ngases_salsa
8128	salsa_gas(ig)%conc_p(:,nyn+1,:) = salsa_gas(ig)%conc_p(:,nyn,:)
8129	ENDDO
8130	ENDIF
8131
8132	ELSEIF ( bc_radiation_l ) THEN
8133	DO ib = 1, nbins_aerosol
8134	aerosol_number(ib)%conc_p(:,:,nxl-1) = aerosol_number(ib)%conc_p(:,:,nxl)
8135	DO ic = 1, ncomponents_mass
8136	icc = ( ic - 1 ) * nbins_aerosol + ib
8137	aerosol_mass(icc)%conc_p(:,:,nxl-1) = aerosol_mass(icc)%conc_p(:,:,nxl)
8138	ENDDO
8139	ENDDO
8140	IF ( .NOT. salsa_gases_from_chem ) THEN
8141	DO ig = 1, ngases_salsa
8142	salsa_gas(ig)%conc_p(:,:,nxl-1) = salsa_gas(ig)%conc_p(:,:,nxl)
8143	ENDDO
8144	ENDIF
8145
8146	ELSEIF ( bc_radiation_r ) THEN
8147	DO ib = 1, nbins_aerosol
8148	aerosol_number(ib)%conc_p(:,:,nxr+1) = aerosol_number(ib)%conc_p(:,:,nxr)
8149	DO ic = 1, ncomponents_mass
8150	icc = ( ic - 1 ) * nbins_aerosol + ib
8151	aerosol_mass(icc)%conc_p(:,:,nxr+1) = aerosol_mass(icc)%conc_p(:,:,nxr)
8152	ENDDO
8153	ENDDO
8154	IF ( .NOT. salsa_gases_from_chem ) THEN
8155	DO ig = 1, ngases_salsa
8156	salsa_gas(ig)%conc_p(:,:,nxr+1) = salsa_gas(ig)%conc_p(:,:,nxr)
8157	ENDDO
8158	ENDIF
8159
8160	ENDIF
8161
8162	ENDIF
8163
8164	END SUBROUTINE salsa_boundary_conds
8165
8166	!------------------------------------------------------------------------------!
8167	! Description:
8168	! ------------
8169	! Undoing of the previously done cyclic boundary conditions.
8170	!------------------------------------------------------------------------------!
8171	SUBROUTINE salsa_boundary_conds_decycle ( sq, sq_init )
8172
8173	IMPLICIT NONE
8174
8175	INTEGER(iwp) :: boundary !<
8176	INTEGER(iwp) :: ee !<
8177	INTEGER(iwp) :: copied !<
8178	INTEGER(iwp) :: i !<
8179	INTEGER(iwp) :: j !<
8180	INTEGER(iwp) :: k !<
8181	INTEGER(iwp) :: ss !<
8182
8183	REAL(wp) :: flag !< flag to mask topography grid points
8184
8185	REAL(wp), DIMENSION(nzb:nzt+1) :: sq_init !< initial concentration profile
8186
8187	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: sq !< concentration array
8188
8189	flag = 0.0_wp
8190	!
8191	!-- Left and right boundaries
8192	IF ( decycle_salsa_lr .AND. ( bc_lr_cyc .OR. bc_lr == 'nested' ) ) THEN
8193
8194	DO boundary = 1, 2
8195
8196	IF ( decycle_method_salsa(boundary) == 'dirichlet' ) THEN
8197	!
8198	!-- Initial profile is copied to ghost and first three layers
8199	ss = 1
8200	ee = 0
8201	IF ( boundary == 1 .AND. nxl == 0 ) THEN
8202	ss = nxlg
8203	ee = nxl-1
8204	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
8205	ss = nxr+1
8206	ee = nxrg
8207	ENDIF
8208
8209	DO i = ss, ee
8210	DO j = nysg, nyng
8211	DO k = nzb+1, nzt
8212	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8213	sq(k,j,i) = sq_init(k) * flag
8214	ENDDO
8215	ENDDO
8216	ENDDO
8217
8218	ELSEIF ( decycle_method_salsa(boundary) == 'neumann' ) THEN
8219	!
8220	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
8221	!-- zero gradient
8222	ss = 1
8223	ee = 0
8224	IF ( boundary == 1 .AND. nxl == 0 ) THEN
8225	ss = nxlg
8226	ee = nxl-1
8227	copied = nxl
8228	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
8229	ss = nxr+1
8230	ee = nxrg
8231	copied = nxr
8232	ENDIF
8233
8234	DO i = ss, ee
8235	DO j = nysg, nyng
8236	DO k = nzb+1, nzt
8237	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8238	sq(k,j,i) = sq(k,j,copied) * flag
8239	ENDDO
8240	ENDDO
8241	ENDDO
8242
8243	ELSE
8244	WRITE(message_string,*) 'unknown decycling method: decycle_method_salsa (', boundary, &
8245	') ="' // TRIM( decycle_method_salsa(boundary) ) // '"'
8246	CALL message( 'salsa_boundary_conds_decycle', 'PA0626', 1, 2, 0, 6, 0 )
8247	ENDIF
8248	ENDDO
8249	ENDIF
8250
8251	!
8252	!-- South and north boundaries
8253	IF ( decycle_salsa_ns .AND. ( bc_ns_cyc .OR. bc_ns == 'nested' ) ) THEN
8254
8255	DO boundary = 3, 4
8256
8257	IF ( decycle_method_salsa(boundary) == 'dirichlet' ) THEN
8258	!
8259	!-- Initial profile is copied to ghost and first three layers
8260	ss = 1
8261	ee = 0
8262	IF ( boundary == 3 .AND. nys == 0 ) THEN
8263	ss = nysg
8264	ee = nys-1
8265	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
8266	ss = nyn+1
8267	ee = nyng
8268	ENDIF
8269
8270	DO i = nxlg, nxrg
8271	DO j = ss, ee
8272	DO k = nzb+1, nzt
8273	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8274	sq(k,j,i) = sq_init(k) * flag
8275	ENDDO
8276	ENDDO
8277	ENDDO
8278
8279	ELSEIF ( decycle_method_salsa(boundary) == 'neumann' ) THEN
8280	!
8281	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
8282	!-- zero gradient
8283	ss = 1
8284	ee = 0
8285	IF ( boundary == 3 .AND. nys == 0 ) THEN
8286	ss = nysg
8287	ee = nys-1
8288	copied = nys
8289	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
8290	ss = nyn+1
8291	ee = nyng
8292	copied = nyn
8293	ENDIF
8294
8295	DO i = nxlg, nxrg
8296	DO j = ss, ee
8297	DO k = nzb+1, nzt
8298	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
8299	sq(k,j,i) = sq(k,copied,i) * flag
8300	ENDDO
8301	ENDDO
8302	ENDDO
8303
8304	ELSE
8305	WRITE(message_string,*) 'unknown decycling method: decycle_method_salsa (', boundary, &
8306	') ="' // TRIM( decycle_method_salsa(boundary) ) // '"'
8307	CALL message( 'salsa_boundary_conds_decycle', 'PA0627', 1, 2, 0, 6, 0 )
8308	ENDIF
8309	ENDDO
8310	ENDIF
8311
8312	END SUBROUTINE salsa_boundary_conds_decycle
8313
8314	!------------------------------------------------------------------------------!
8315	! Description:
8316	! ------------
8317	!> Calculates the total dry or wet mass concentration for individual bins
8318	!> Juha Tonttila (FMI) 2015
8319	!> Tomi Raatikainen (FMI) 2016
8320	!------------------------------------------------------------------------------!
8321	SUBROUTINE bin_mixrat( itype, ibin, i, j, mconc )
8322
8323	IMPLICIT NONE
8324
8325	CHARACTER(len=*), INTENT(in) :: itype !< 'dry' or 'wet'
8326
8327	INTEGER(iwp) :: ic !< loop index for mass bin number
8328	INTEGER(iwp) :: iend !< end index: include water or not
8329
8330	INTEGER(iwp), INTENT(in) :: ibin !< index of the chemical component
8331	INTEGER(iwp), INTENT(in) :: i !< loop index for x-direction
8332	INTEGER(iwp), INTENT(in) :: j !< loop index for y-direction
8333
8334	REAL(wp), DIMENSION(:), INTENT(out) :: mconc !< total dry or wet mass concentration
8335
8336	!-- Number of components
8337	IF ( itype == 'dry' ) THEN
8338	iend = prtcl%ncomp - 1
8339	ELSE IF ( itype == 'wet' ) THEN
8340	iend = prtcl%ncomp
8341	ELSE
8342	message_string = 'Error in itype!'
8343	CALL message( 'bin_mixrat', 'PA0628', 2, 2, 0, 6, 0 )
8344	ENDIF
8345
8346	mconc = 0.0_wp
8347
8348	DO ic = ibin, iend*nbins_aerosol+ibin, nbins_aerosol !< every nbins'th element
8349	mconc = mconc + aerosol_mass(ic)%conc(:,j,i)
8350	ENDDO
8351
8352	END SUBROUTINE bin_mixrat
8353
8354	!------------------------------------------------------------------------------!
8355	! Description:
8356	! ------------
8357	!> Sets surface fluxes
8358	!------------------------------------------------------------------------------!
8359	SUBROUTINE salsa_emission_update
8360
8361	IMPLICIT NONE
8362
8363	IF ( include_emission ) THEN
8364
8365	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
8366
8367	IF ( next_aero_emission_update <= time_since_reference_point ) THEN
8368	CALL salsa_emission_setup( .FALSE. )
8369	ENDIF
8370
8371	IF ( next_gas_emission_update <= time_since_reference_point ) THEN
8372	IF ( salsa_emission_mode == 'read_from_file' .AND. .NOT. salsa_gases_from_chem ) &
8373	THEN
8374	CALL salsa_gas_emission_setup( .FALSE. )
8375	ENDIF
8376	ENDIF
8377
8378	ENDIF
8379	ENDIF
8380
8381	END SUBROUTINE salsa_emission_update
8382
8383	!------------------------------------------------------------------------------!
8384	!> Description:
8385	!> ------------
8386	!> Define aerosol fluxes: constant or read from a from file
8387	!> @todo - Emission stack height is not used yet. For default mode, emissions
8388	!> are assumed to occur on upward facing horizontal surfaces.
8389	!------------------------------------------------------------------------------!
8390	SUBROUTINE salsa_emission_setup( init )
8391
8392	USE netcdf_data_input_mod, &
8393	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
8394	inquire_num_variables, inquire_variable_names, &
8395	get_dimension_length, open_read_file, street_type_f
8396
8397	USE palm_date_time_mod, &
8398	ONLY: days_per_week, get_date_time, hours_per_day, months_per_year, seconds_per_hour
8399
8400	USE surface_mod, &
8401	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
8402
8403	IMPLICIT NONE
8404
8405	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
8406	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
8407	CHARACTER(LEN=25) :: mod_name !< name in the input file
8408
8409	INTEGER(iwp) :: day_of_month !< day of the month
8410	INTEGER(iwp) :: day_of_week !< day of the week
8411	INTEGER(iwp) :: day_of_year !< day of the year
8412	INTEGER(iwp) :: hour_of_day !< hour of the day
8413	INTEGER(iwp) :: i !< loop index
8414	INTEGER(iwp) :: ib !< loop index: aerosol number bins
8415	INTEGER(iwp) :: ic !< loop index: aerosol chemical components
8416	INTEGER(iwp) :: id_salsa !< NetCDF id of aerosol emission input file
8417	INTEGER(iwp) :: in !< loop index: emission category
8418	INTEGER(iwp) :: index_dd !< index day
8419	INTEGER(iwp) :: index_hh !< index hour
8420	INTEGER(iwp) :: index_mm !< index month
8421	INTEGER(iwp) :: inn !< loop index
8422	INTEGER(iwp) :: j !< loop index
8423	INTEGER(iwp) :: month_of_year !< month of the year
8424	INTEGER(iwp) :: ss !< loop index
8425
8426	INTEGER(iwp), DIMENSION(maxspec) :: cc_i2m !<
8427
8428	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
8429
8430	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
8431
8432	REAL(wp) :: second_of_day !< second of the day
8433
8434	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect_emission !< sectional number emission
8435
8436	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: source_array !< temporary source array
8437
8438	!
8439	!-- Define emissions:
8440	SELECT CASE ( salsa_emission_mode )
8441
8442	CASE ( 'uniform', 'parameterized' )
8443
8444	IF ( init ) THEN ! Do only once
8445	!
8446	!- Form a sectional size distribution for the emissions
8447	ALLOCATE( nsect_emission(1:nbins_aerosol), &
8448	source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8449	!
8450	!-- Precalculate a size distribution for the emission based on the mean diameter, standard
8451	!-- deviation and number concentration per each log-normal mode
8452	CALL size_distribution( surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
8453	nsect_emission )
8454	IF ( salsa_emission_mode == 'uniform' ) THEN
8455	DO ib = 1, nbins_aerosol
8456	source_array(:,:,ib) = nsect_emission(ib)
8457	ENDDO
8458	ELSE
8459	IF ( street_type_f%from_file ) THEN
8460	DO i = nxl, nxr
8461	DO j = nys, nyn
8462	IF ( street_type_f%var(j,i) >= main_street_id .AND. &
8463	street_type_f%var(j,i) < max_street_id ) THEN
8464	source_array(j,i,:) = nsect_emission(:) * emiss_factor_main
8465	ELSEIF ( street_type_f%var(j,i) >= side_street_id .AND. &
8466	street_type_f%var(j,i) < main_street_id ) THEN
8467	source_array(j,i,:) = nsect_emission(:) * emiss_factor_side
8468	ENDIF
8469	ENDDO
8470	ENDDO
8471	ELSE
8472	WRITE( message_string, * ) 'salsa_emission_mode = "parameterized" but the '// &
8473	'street_type data is missing.'
8474	CALL message( 'salsa_emission_setup', 'PA0661', 1, 2, 0, 6, 0 )
8475	ENDIF
8476	ENDIF
8477	!
8478	!-- Check which chemical components are used
8479	cc_i2m = 0
8480	IF ( index_so4 > 0 ) cc_i2m(1) = index_so4
8481	IF ( index_oc > 0 ) cc_i2m(2) = index_oc
8482	IF ( index_bc > 0 ) cc_i2m(3) = index_bc
8483	IF ( index_du > 0 ) cc_i2m(4) = index_du
8484	IF ( index_ss > 0 ) cc_i2m(5) = index_ss
8485	IF ( index_no > 0 ) cc_i2m(6) = index_no
8486	IF ( index_nh > 0 ) cc_i2m(7) = index_nh
8487	!
8488	!-- Normalise mass fractions so that their sum is 1
8489	aerosol_flux_mass_fracs_a = aerosol_flux_mass_fracs_a / &
8490	SUM( aerosol_flux_mass_fracs_a(1:ncc ) )
8491	IF ( salsa_emission_mode == 'uniform' ) THEN
8492	!
8493	!-- Set uniform fluxes of default horizontal surfaces
8494	CALL set_flux( surf_def_h(0), cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8495	ELSE
8496	!
8497	!-- Set fluxes normalised based on the street type on land surfaces
8498	CALL set_flux( surf_lsm_h, cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8499	ENDIF
8500
8501	DEALLOCATE( nsect_emission, source_array )
8502	ENDIF
8503
8504	CASE ( 'read_from_file' )
8505	!
8506	!-- Reset surface fluxes
8507	surf_def_h(0)%answs = 0.0_wp
8508	surf_def_h(0)%amsws = 0.0_wp
8509	surf_lsm_h%answs = 0.0_wp
8510	surf_lsm_h%amsws = 0.0_wp
8511	surf_usm_h%answs = 0.0_wp
8512	surf_usm_h%amsws = 0.0_wp
8513
8514	!
8515	!-- Reset source arrays:
8516	DO ib = 1, nbins_aerosol
8517	aerosol_number(ib)%source = 0.0_wp
8518	ENDDO
8519
8520	DO ic = 1, ncomponents_mass * nbins_aerosol
8521	aerosol_mass(ic)%source = 0.0_wp
8522	ENDDO
8523
8524	#if defined( __netcdf )
8525	!
8526	!-- Check existence of PIDS_SALSA file
8527	INQUIRE( FILE = TRIM( input_file_salsa ) // TRIM( coupling_char ), EXIST = netcdf_extend )
8528	IF ( .NOT. netcdf_extend ) THEN
8529	message_string = 'Input file '// TRIM( input_file_salsa ) // TRIM( coupling_char )&
8530	// ' missing!'
8531	CALL message( 'salsa_emission_setup', 'PA0629', 1, 2, 0, 6, 0 )
8532	ENDIF
8533	!
8534	!-- Open file in read-only mode
8535	CALL open_read_file( TRIM( input_file_salsa ) // TRIM( coupling_char ), id_salsa )
8536
8537	IF ( init ) THEN
8538	!
8539	!-- Variable names
8540	CALL inquire_num_variables( id_salsa, aero_emission_att%num_vars )
8541	ALLOCATE( aero_emission_att%var_names(1:aero_emission_att%num_vars) )
8542	CALL inquire_variable_names( id_salsa, aero_emission_att%var_names )
8543	!
8544	!-- Read the index and name of chemical components
8545	CALL get_dimension_length( id_salsa, aero_emission_att%ncc, &
8546	'composition_index' )
8547	ALLOCATE( aero_emission_att%cc_index(1:aero_emission_att%ncc) )
8548	CALL get_variable( id_salsa, 'composition_index', aero_emission_att%cc_index )
8549
8550	IF ( check_existence( aero_emission_att%var_names, 'composition_name' ) ) THEN
8551	CALL get_variable( id_salsa, 'composition_name', aero_emission_att%cc_name, &
8552	aero_emission_att%ncc )
8553	ELSE
8554	message_string = 'Missing composition_name in ' // TRIM( input_file_salsa )
8555	CALL message( 'salsa_emission_setup', 'PA0657', 1, 2, 0, 6, 0 )
8556	ENDIF
8557	!
8558	!-- Find the corresponding chemical components in the model
8559	aero_emission_att%cc_in2mod = 0
8560	DO ic = 1, aero_emission_att%ncc
8561	in_name = aero_emission_att%cc_name(ic)
8562	SELECT CASE ( TRIM( in_name ) )
8563	CASE ( 'H2SO4', 'h2so4', 'SO4', 'so4' )
8564	aero_emission_att%cc_in2mod(1) = ic
8565	CASE ( 'OC', 'oc', 'organics' )
8566	aero_emission_att%cc_in2mod(2) = ic
8567	CASE ( 'BC', 'bc' )
8568	aero_emission_att%cc_in2mod(3) = ic
8569	CASE ( 'DU', 'du' )
8570	aero_emission_att%cc_in2mod(4) = ic
8571	CASE ( 'SS', 'ss' )
8572	aero_emission_att%cc_in2mod(5) = ic
8573	CASE ( 'HNO3', 'hno3', 'NO', 'no', 'NO3', 'no3' )
8574	aero_emission_att%cc_in2mod(6) = ic
8575	CASE ( 'NH3', 'nh3', 'NH', 'nh', 'NH4', 'nh4' )
8576	aero_emission_att%cc_in2mod(7) = ic
8577	END SELECT
8578
8579	ENDDO
8580
8581	IF ( SUM( aero_emission_att%cc_in2mod ) == 0 ) THEN
8582	message_string = 'None of the aerosol chemical components in ' // TRIM( &
8583	input_file_salsa ) // ' correspond to the ones applied in SALSA.'
8584	CALL message( 'salsa_emission_setup', 'PA0630', 1, 2, 0, 6, 0 )
8585	ENDIF
8586	!
8587	!-- Inquire the fill value
8588	CALL get_attribute( id_salsa, '_FillValue', aero_emission%fill, .FALSE., &
8589	'aerosol_emission_values' )
8590	!
8591	!-- Inquire units of emissions
8592	CALL get_attribute( id_salsa, 'units', aero_emission_att%units, .FALSE., &
8593	'aerosol_emission_values' )
8594	!
8595	!-- Inquire the level of detail (lod)
8596	CALL get_attribute( id_salsa, 'lod', aero_emission_att%lod, .FALSE., &
8597	'aerosol_emission_values' )
8598
8599	!
8600	!-- Read different emission information depending on the level of detail of emissions:
8601
8602	!
8603	!-- Default mode:
8604	IF ( aero_emission_att%lod == 1 ) THEN
8605	!
8606	!-- Unit conversion factor: convert to SI units (kg/m2/s)
8607	IF ( aero_emission_att%units == 'kg/m2/yr' ) THEN
8608	aero_emission_att%conversion_factor = 1.0_wp / 3600.0_wp
8609	ELSEIF ( aero_emission_att%units == 'g/m2/yr' ) THEN
8610	aero_emission_att%conversion_factor = 0.001_wp / 3600.0_wp
8611	ELSE
8612	message_string = 'unknown unit for aerosol emissions: ' // &
8613	TRIM( aero_emission_att%units ) // ' (lod1)'
8614	CALL message( 'salsa_emission_setup','PA0631', 1, 2, 0, 6, 0 )
8615	ENDIF
8616	!
8617	!-- Get number of emission categories and allocate emission arrays
8618	CALL get_dimension_length( id_salsa, aero_emission_att%ncat, 'ncat' )
8619	ALLOCATE( aero_emission_att%cat_index(1:aero_emission_att%ncat), &
8620	aero_emission_att%rho(1:aero_emission_att%ncat), &
8621	aero_emission_att%time_factor(1:aero_emission_att%ncat) )
8622	!
8623	!-- Get emission category names and indices
8624	IF ( check_existence( aero_emission_att%var_names, 'emission_category_name' ) ) THEN
8625	CALL get_variable( id_salsa, 'emission_category_name', &
8626	aero_emission_att%cat_name, aero_emission_att%ncat )
8627	ELSE
8628	message_string = 'Missing emission_category_name in ' // TRIM( input_file_salsa )
8629	CALL message( 'salsa_emission_setup', 'PA0658', 1, 2, 0, 6, 0 )
8630	ENDIF
8631	CALL get_variable( id_salsa, 'emission_category_index', aero_emission_att%cat_index )
8632	!
8633	!-- Find corresponding emission categories
8634	DO in = 1, aero_emission_att%ncat
8635	in_name = aero_emission_att%cat_name(in)
8636	DO ss = 1, def_modes%ndc
8637	mod_name = def_modes%cat_name_table(ss)
8638	IF ( TRIM( in_name(1:4) ) == TRIM( mod_name(1:4 ) ) ) THEN
8639	def_modes%cat_input_to_model(ss) = in
8640	ENDIF
8641	ENDDO
8642	ENDDO
8643
8644	IF ( SUM( def_modes%cat_input_to_model ) == 0 ) THEN
8645	message_string = 'None of the emission categories in ' // TRIM( &
8646	input_file_salsa ) // ' match with the ones in the model.'
8647	CALL message( 'salsa_emission_setup', 'PA0632', 1, 2, 0, 6, 0 )
8648	ENDIF
8649	!
8650	!-- Emission time factors: Find check whether emission time factors are given for each
8651	!-- hour of year OR based on month, day and hour
8652	!
8653	!-- For each hour of year:
8654	IF ( check_existence( aero_emission_att%var_names, 'nhoursyear' ) ) THEN
8655	CALL get_dimension_length( id_salsa, &
8656	aero_emission_att%nhoursyear, 'nhoursyear' )
8657	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8658	1:aero_emission_att%nhoursyear) )
8659	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8660	0, aero_emission_att%nhoursyear-1, 0, aero_emission_att%ncat-1 )
8661	!
8662	!-- Based on the month, day and hour:
8663	ELSEIF ( check_existence( aero_emission_att%var_names, 'nmonthdayhour' ) ) THEN
8664	CALL get_dimension_length( id_salsa, &
8665	aero_emission_att%nmonthdayhour, &
8666	'nmonthdayhour' )
8667	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8668	1:aero_emission_att%nmonthdayhour) )
8669	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8670	0, aero_emission_att%nmonthdayhour-1, 0, aero_emission_att%ncat-1 )
8671	ELSE
8672	message_string = 'emission_time_factors should be given for each nhoursyear ' //&
8673	'OR nmonthdayhour'
8674	CALL message( 'salsa_emission_setup','PA0633', 1, 2, 0, 6, 0 )
8675	ENDIF
8676	!
8677	!-- Next emission update
8678	CALL get_date_time( 0.0_wp, second_of_day=second_of_day )
8679	next_aero_emission_update = MOD( second_of_day, seconds_per_hour ) - seconds_per_hour
8680	!
8681	!-- Get chemical composition (i.e. mass fraction of different species) in aerosols
8682	IF ( check_existence( aero_emission_att%var_names, 'emission_mass_fracs' ) ) THEN
8683	ALLOCATE( aero_emission%def_mass_fracs(1:aero_emission_att%ncat, &
8684	1:aero_emission_att%ncc) )
8685	aero_emission%def_mass_fracs = 0.0_wp
8686	CALL get_variable( id_salsa, 'emission_mass_fracs', aero_emission%def_mass_fracs,&
8687	0, aero_emission_att%ncc-1, 0, aero_emission_att%ncat-1 )
8688	ELSE
8689	message_string = 'Missing emission_mass_fracs in ' // TRIM( input_file_salsa )
8690	CALL message( 'salsa_emission_setup', 'PA0659', 1, 2, 0, 6, 0 )
8691	ENDIF
8692	!
8693	!-- If the chemical component is not activated, set its mass fraction to 0 to avoid
8694	!-- inbalance between number and mass flux
8695	cc_i2m = aero_emission_att%cc_in2mod
8696	IF ( index_so4 < 0 .AND. cc_i2m(1) > 0 ) &
8697	aero_emission%def_mass_fracs(:,cc_i2m(1)) = 0.0_wp
8698	IF ( index_oc < 0 .AND. cc_i2m(2) > 0 ) &
8699	aero_emission%def_mass_fracs(:,cc_i2m(2)) = 0.0_wp
8700	IF ( index_bc < 0 .AND. cc_i2m(3) > 0 ) &
8701	aero_emission%def_mass_fracs(:,cc_i2m(3)) = 0.0_wp
8702	IF ( index_du < 0 .AND. cc_i2m(4) > 0 ) &
8703	aero_emission%def_mass_fracs(:,cc_i2m(4)) = 0.0_wp
8704	IF ( index_ss < 0 .AND. cc_i2m(5) > 0 ) &
8705	aero_emission%def_mass_fracs(:,cc_i2m(5)) = 0.0_wp
8706	IF ( index_no < 0 .AND. cc_i2m(6) > 0 ) &
8707	aero_emission%def_mass_fracs(:,cc_i2m(6)) = 0.0_wp
8708	IF ( index_nh < 0 .AND. cc_i2m(7) > 0 ) &
8709	aero_emission%def_mass_fracs(:,cc_i2m(7)) = 0.0_wp
8710	!
8711	!-- Then normalise the mass fraction so that SUM = 1
8712	DO in = 1, aero_emission_att%ncat
8713	aero_emission%def_mass_fracs(in,:) = aero_emission%def_mass_fracs(in,:) / &
8714	SUM( aero_emission%def_mass_fracs(in,:) )
8715	ENDDO
8716	!
8717	!-- Calculate average mass density (kg/m3)
8718	aero_emission_att%rho = 0.0_wp
8719
8720	IF ( cc_i2m(1) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoh2so4 *&
8721	aero_emission%def_mass_fracs(:,cc_i2m(1))
8722	IF ( cc_i2m(2) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhooc * &
8723	aero_emission%def_mass_fracs(:,cc_i2m(2))
8724	IF ( cc_i2m(3) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhobc * &
8725	aero_emission%def_mass_fracs(:,cc_i2m(3))
8726	IF ( cc_i2m(4) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhodu * &
8727	aero_emission%def_mass_fracs(:,cc_i2m(4))
8728	IF ( cc_i2m(5) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoss * &
8729	aero_emission%def_mass_fracs(:,cc_i2m(5))
8730	IF ( cc_i2m(6) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhohno3 * &
8731	aero_emission%def_mass_fracs(:,cc_i2m(6))
8732	IF ( cc_i2m(7) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhonh3 * &
8733	aero_emission%def_mass_fracs(:,cc_i2m(7))
8734	!
8735	!-- Allocate and read surface emission data (in total PM)
8736	ALLOCATE( aero_emission%def_data(nys:nyn,nxl:nxr,1:aero_emission_att%ncat) )
8737	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%def_data, &
8738	0, aero_emission_att%ncat-1, nxl, nxr, nys, nyn )
8739
8740	!
8741	!-- Pre-processed mode
8742	ELSEIF ( aero_emission_att%lod == 2 ) THEN
8743	!
8744	!-- Unit conversion factor: convert to SI units (#/m2/s)
8745	IF ( aero_emission_att%units == '#/m2/s' ) THEN
8746	aero_emission_att%conversion_factor = 1.0_wp
8747	ELSE
8748	message_string = 'unknown unit for aerosol emissions: ' // &
8749	TRIM( aero_emission_att%units )
8750	CALL message( 'salsa_emission_setup','PA0634', 1, 2, 0, 6, 0 )
8751	ENDIF
8752	!
8753	!-- Number of aerosol size bins in the emission data
8754	CALL get_dimension_length( id_salsa, aero_emission_att%nbins, 'Dmid' )
8755	IF ( aero_emission_att%nbins /= nbins_aerosol ) THEN
8756	message_string = 'The number of size bins in aerosol input data does not ' // &
8757	'correspond to the model set-up'
8758	CALL message( 'salsa_emission_setup','PA0635', 1, 2, 0, 6, 0 )
8759	ENDIF
8760	!
8761	!-- Number of time steps in the emission data
8762	CALL get_dimension_length( id_salsa, aero_emission_att%nt, 'time')
8763	!
8764	!-- Allocate bin diameters, time and mass fraction array
8765	ALLOCATE( aero_emission_att%dmid(1:nbins_aerosol), &
8766	aero_emission_att%time(1:aero_emission_att%nt), &
8767	aero_emission%preproc_mass_fracs(1:aero_emission_att%ncc) )
8768	!
8769	!-- Read mean diameters
8770	CALL get_variable( id_salsa, 'Dmid', aero_emission_att%dmid )
8771	!
8772	!-- Check whether the sectional representation of the aerosol size distribution conform
8773	!-- to the one applied in the model
8774	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - aero_emission_att%dmid ) / &
8775	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
8776	message_string = 'Mean diameters of size bins in ' // TRIM( input_file_salsa ) &
8777	// ' do not match with the ones in the model.'
8778	CALL message( 'salsa_emission_setup','PA0636', 1, 2, 0, 6, 0 )
8779	ENDIF
8780	!
8781	!-- Read time stamps:
8782	IF ( check_existence( aero_emission_att%var_names, 'time' ) ) THEN
8783	CALL get_variable( id_salsa, 'time', aero_emission_att%time )
8784	ELSE
8785	message_string = 'Missing time in ' // TRIM( input_file_salsa )
8786	CALL message( 'salsa_emission_setup', 'PA0660', 1, 2, 0, 6, 0 )
8787	ENDIF
8788	!
8789	!-- Read emission mass fractions
8790	IF ( check_existence( aero_emission_att%var_names, 'emission_mass_fracs' ) ) THEN
8791	CALL get_variable( id_salsa, 'emission_mass_fracs', &
8792	aero_emission%preproc_mass_fracs )
8793	ELSE
8794	message_string = 'Missing emission_mass_fracs in ' // TRIM( input_file_salsa )
8795	CALL message( 'salsa_emission_setup', 'PA0659', 1, 2, 0, 6, 0 )
8796	ENDIF
8797	!
8798	!-- If the chemical component is not activated, set its mass fraction to 0
8799	cc_i2m = aero_emission_att%cc_in2mod
8800	IF ( index_so4 < 0 .AND. cc_i2m(1) /= 0 ) &
8801	aero_emission%preproc_mass_fracs(cc_i2m(1)) = 0.0_wp
8802	IF ( index_oc < 0 .AND. cc_i2m(2) /= 0 ) &
8803	aero_emission%preproc_mass_fracs(cc_i2m(2)) = 0.0_wp
8804	IF ( index_bc < 0 .AND. cc_i2m(3) /= 0 ) &
8805	aero_emission%preproc_mass_fracs(cc_i2m(3)) = 0.0_wp
8806	IF ( index_du < 0 .AND. cc_i2m(4) /= 0 ) &
8807	aero_emission%preproc_mass_fracs(cc_i2m(4)) = 0.0_wp
8808	IF ( index_ss < 0 .AND. cc_i2m(5) /= 0 ) &
8809	aero_emission%preproc_mass_fracs(cc_i2m(5)) = 0.0_wp
8810	IF ( index_no < 0 .AND. cc_i2m(6) /= 0 ) &
8811	aero_emission%preproc_mass_fracs(cc_i2m(6)) = 0.0_wp
8812	IF ( index_nh < 0 .AND. cc_i2m(7) /= 0 ) &
8813	aero_emission%preproc_mass_fracs(cc_i2m(7)) = 0.0_wp
8814	!
8815	!-- Then normalise the mass fraction so that SUM = 1
8816	aero_emission%preproc_mass_fracs = aero_emission%preproc_mass_fracs / &
8817	SUM( aero_emission%preproc_mass_fracs )
8818
8819	ELSE
8820	message_string = 'Unknown lod for aerosol_emission_values.'
8821	CALL message( 'salsa_emission','PA0637', 1, 2, 0, 6, 0 )
8822	ENDIF
8823
8824	ENDIF ! init
8825	!
8826	!-- Define and set current emission values:
8827	!
8828	!-- Default type emissions (aerosol emission given as total mass emission per year):
8829	IF ( aero_emission_att%lod == 1 ) THEN
8830	!
8831	!-- Emission time factors for each emission category at current time step
8832	IF ( aero_emission_att%nhoursyear > aero_emission_att%nmonthdayhour ) THEN
8833	!
8834	!-- Get the index of the current hour
8835	CALL get_date_time( time_since_reference_point, &
8836	day_of_year=day_of_year, hour=hour_of_day )
8837	index_hh = ( day_of_year - 1_iwp ) * hours_per_day + hour_of_day
8838	aero_emission_att%time_factor = aero_emission_att%etf(:,index_hh)
8839
8840	ELSEIF ( aero_emission_att%nhoursyear < aero_emission_att%nmonthdayhour ) THEN
8841	!
8842	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
8843	!-- Needs to be calculated.)
8844	CALL get_date_time( time_since_reference_point, &
8845	month=month_of_year, &
8846	day=day_of_month, &
8847	hour=hour_of_day, &
8848	day_of_week=day_of_week )
8849	index_mm = month_of_year
8850	index_dd = months_per_year + day_of_week
8851	SELECT CASE(TRIM(daytype))
8852
8853	CASE ("workday")
8854	index_hh = months_per_year + days_per_week + hour_of_day
8855
8856	CASE ("weekend")
8857	index_hh = months_per_year + days_per_week + hours_per_day + hour_of_day
8858
8859	CASE ("holiday")
8860	index_hh = months_per_year + days_per_week + 2*hours_per_day + hour_of_day
8861
8862	END SELECT
8863	aero_emission_att%time_factor = aero_emission_att%etf(:,index_mm) * &
8864	aero_emission_att%etf(:,index_dd) * &
8865	aero_emission_att%etf(:,index_hh)
8866	ENDIF
8867
8868	!
8869	!-- Create a sectional number size distribution for emissions
8870	ALLOCATE( nsect_emission(1:nbins_aerosol),source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8871	DO in = 1, aero_emission_att%ncat
8872
8873	inn = def_modes%cat_input_to_model(in)
8874	!
8875	!-- Calculate the number concentration (1/m3) of a log-normal size distribution
8876	!-- following Jacobson (2005): Eq 13.25.
8877	def_modes%ntot_table = 6.0_wp * def_modes%pm_frac_table(:,inn) / ( pi * &
8878	( def_modes%dpg_table )*3 EXP( 4.5_wp * &
8879	LOG( def_modes%sigmag_table )**2 ) )
8880	!
8881	!-- Sectional size distibution (1/m3) from a log-normal one
8882	CALL size_distribution( def_modes%ntot_table, def_modes%dpg_table, &
8883	def_modes%sigmag_table, nsect_emission )
8884
8885	source_array = 0.0_wp
8886	DO ib = 1, nbins_aerosol
8887	source_array(:,:,ib) = aero_emission%def_data(:,:,in) * &
8888	aero_emission_att%conversion_factor / &
8889	aero_emission_att%rho(in) * nsect_emission(ib) * &
8890	aero_emission_att%time_factor(in)
8891	ENDDO
8892	!
8893	!-- Set surface fluxes of aerosol number and mass on horizontal surfaces. Set fluxes
8894	!-- only for either default, land or urban surface.
8895	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
8896	CALL set_flux( surf_def_h(0), aero_emission_att%cc_in2mod, &
8897	aero_emission%def_mass_fracs(in,:), source_array )
8898	ELSE
8899	CALL set_flux( surf_usm_h, aero_emission_att%cc_in2mod, &
8900	aero_emission%def_mass_fracs(in,:), source_array )
8901	CALL set_flux( surf_lsm_h, aero_emission_att%cc_in2mod, &
8902	aero_emission%def_mass_fracs(in,:), source_array )
8903	ENDIF
8904	ENDDO
8905	!
8906	!-- The next emission update is again after one hour
8907	next_aero_emission_update = next_aero_emission_update + 3600.0_wp
8908
8909
8910	DEALLOCATE( nsect_emission, source_array )
8911	!
8912	!-- Pre-processed:
8913	ELSEIF ( aero_emission_att%lod == 2 ) THEN
8914	!
8915	!-- Obtain time index for current input starting at 0.
8916	!-- @todo: At the moment emission data and simulated time correspond to each other.
8917	aero_emission_att%tind = MINLOC( ABS( aero_emission_att%time - &
8918	time_since_reference_point ), DIM = 1 ) - 1
8919	!
8920	!-- Allocate the data input array always before reading in the data and deallocate after
8921	ALLOCATE( aero_emission%preproc_data(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8922	!
8923	!-- Read in the next time step
8924	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%preproc_data,&
8925	aero_emission_att%tind, 0, nbins_aerosol-1, nxl, nxr, nys, nyn )
8926	!
8927	!-- Set surface fluxes of aerosol number and mass on horizontal surfaces. Set fluxes only
8928	!-- for either default, land and urban surface.
8929	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
8930	CALL set_flux( surf_def_h(0), aero_emission_att%cc_in2mod, &
8931	aero_emission%preproc_mass_fracs, aero_emission%preproc_data )
8932	ELSE
8933	CALL set_flux( surf_usm_h, aero_emission_att%cc_in2mod, &
8934	aero_emission%preproc_mass_fracs, aero_emission%preproc_data )
8935	CALL set_flux( surf_lsm_h, aero_emission_att%cc_in2mod, &
8936	aero_emission%preproc_mass_fracs, aero_emission%preproc_data )
8937	ENDIF
8938	!
8939	!-- Determine the next emission update
8940	next_aero_emission_update = aero_emission_att%time(aero_emission_att%tind+2)
8941
8942	DEALLOCATE( aero_emission%preproc_data )
8943
8944	ENDIF
8945	!
8946	!-- Close input file
8947	CALL close_input_file( id_salsa )
8948	#else
8949	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' //&
8950	' __netcdf is not used in compiling!'
8951	CALL message( 'salsa_emission_setup', 'PA0638', 1, 2, 0, 6, 0 )
8952
8953	#endif
8954	CASE DEFAULT
8955	message_string = 'unknown salsa_emission_mode: ' // TRIM( salsa_emission_mode )
8956	CALL message( 'salsa_emission_setup', 'PA0639', 1, 2, 0, 6, 0 )
8957
8958	END SELECT
8959
8960	CONTAINS
8961
8962	!------------------------------------------------------------------------------!
8963	! Description:
8964	! ------------
8965	!> Sets the aerosol flux to aerosol arrays in 2a and 2b.
8966	!------------------------------------------------------------------------------!
8967	SUBROUTINE set_flux( surface, cc_i_mod, mass_fracs, source_array )
8968
8969	USE arrays_3d, &
8970	ONLY: rho_air_zw
8971
8972	USE surface_mod, &
8973	ONLY: surf_type
8974
8975	IMPLICIT NONE
8976
8977	INTEGER(iwp) :: i !< loop index
8978	INTEGER(iwp) :: ib !< loop index
8979	INTEGER(iwp) :: ic !< loop index
8980	INTEGER(iwp) :: j !< loop index
8981	INTEGER(iwp) :: k !< loop index
8982	INTEGER(iwp) :: m !< running index for surface elements
8983
8984	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of chemical component in the input data
8985
8986	REAL(wp) :: so4_oc !< mass fraction between SO4 and OC in 1a
8987
8988	REAL(wp), DIMENSION(:), INTENT(in) :: mass_fracs !< mass fractions of chemical components
8989
8990	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,1:nbins_aerosol), INTENT(inout) :: source_array !<
8991
8992	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
8993
8994	so4_oc = 0.0_wp
8995
8996	DO m = 1, surface%ns
8997	!
8998	!-- Get indices of respective grid point
8999	i = surface%i(m)
9000	j = surface%j(m)
9001	k = surface%k(m)
9002
9003	DO ib = 1, nbins_aerosol
9004	IF ( source_array(j,i,ib) < nclim ) THEN
9005	source_array(j,i,ib) = 0.0_wp
9006	ENDIF
9007	!
9008	!-- Set mass fluxes. First bins include only SO4 and/or OC.
9009	IF ( ib <= end_subrange_1a ) THEN
9010	!
9011	!-- Both sulphate and organic carbon
9012	IF ( index_so4 > 0 .AND. index_oc > 0 ) THEN
9013
9014	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
9015	so4_oc = mass_fracs(cc_i_mod(1)) / ( mass_fracs(cc_i_mod(1)) + &
9016	mass_fracs(cc_i_mod(2)) )
9017	surface%amsws(m,ic) = surface%amsws(m,ic) + so4_oc * source_array(j,i,ib) &
9018	* api6 * aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
9019	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9020
9021	ic = ( index_oc - 1 ) * nbins_aerosol + ib
9022	surface%amsws(m,ic) = surface%amsws(m,ic) + ( 1-so4_oc ) * source_array(j,i,ib) &
9023	* api6 * aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
9024	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9025	!
9026	!-- Only sulphates
9027	ELSEIF ( index_so4 > 0 .AND. index_oc < 0 ) THEN
9028	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
9029	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
9030	aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
9031	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9032	!
9033	!-- Only organic carbon
9034	ELSEIF ( index_so4 < 0 .AND. index_oc > 0 ) THEN
9035	ic = ( index_oc - 1 ) * nbins_aerosol + ib
9036	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
9037	aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
9038	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
9039	ENDIF
9040
9041	ELSE
9042	!
9043	!-- Sulphate
9044	IF ( index_so4 > 0 ) THEN
9045	ic = cc_i_mod(1)
9046	CALL set_mass_flux( surface, m, ib, index_so4, mass_fracs(ic), arhoh2so4, &
9047	source_array(j,i,ib) )
9048	ENDIF
9049	!
9050	!-- Organic carbon
9051	IF ( index_oc > 0 ) THEN
9052	ic = cc_i_mod(2)
9053	CALL set_mass_flux( surface, m, ib, index_oc, mass_fracs(ic),arhooc, &
9054	source_array(j,i,ib) )
9055	ENDIF
9056	!
9057	!-- Black carbon
9058	IF ( index_bc > 0 ) THEN
9059	ic = cc_i_mod(3)
9060	CALL set_mass_flux( surface, m, ib, index_bc, mass_fracs(ic), arhobc, &
9061	source_array(j,i,ib) )
9062	ENDIF
9063	!
9064	!-- Dust
9065	IF ( index_du > 0 ) THEN
9066	ic = cc_i_mod(4)
9067	CALL set_mass_flux( surface, m, ib, index_du, mass_fracs(ic), arhodu, &
9068	source_array(j,i,ib) )
9069	ENDIF
9070	!
9071	!-- Sea salt
9072	IF ( index_ss > 0 ) THEN
9073	ic = cc_i_mod(5)
9074	CALL set_mass_flux( surface, m, ib, index_ss, mass_fracs(ic), arhoss, &
9075	source_array(j,i,ib) )
9076	ENDIF
9077	!
9078	!-- Nitric acid
9079	IF ( index_no > 0 ) THEN
9080	ic = cc_i_mod(6)
9081	CALL set_mass_flux( surface, m, ib, index_no, mass_fracs(ic), arhohno3, &
9082	source_array(j,i,ib) )
9083	ENDIF
9084	!
9085	!-- Ammonia
9086	IF ( index_nh > 0 ) THEN
9087	ic = cc_i_mod(7)
9088	CALL set_mass_flux( surface, m, ib, index_nh, mass_fracs(ic), arhonh3, &
9089	source_array(j,i,ib) )
9090	ENDIF
9091
9092	ENDIF
9093	!
9094	!-- Save number fluxes in the end
9095	surface%answs(m,ib) = surface%answs(m,ib) + source_array(j,i,ib) * rho_air_zw(k-1)
9096	aerosol_number(ib)%source(j,i) = aerosol_number(ib)%source(j,i) + surface%answs(m,ib)
9097
9098	ENDDO ! ib
9099	ENDDO ! m
9100
9101	END SUBROUTINE set_flux
9102
9103	!------------------------------------------------------------------------------!
9104	! Description:
9105	! ------------
9106	!> Sets the mass emissions to aerosol arrays in 2a and 2b.
9107	!------------------------------------------------------------------------------!
9108	SUBROUTINE set_mass_flux( surface, surf_num, ib, ispec, mass_frac, prho, nsource )
9109
9110	USE arrays_3d, &
9111	ONLY: rho_air_zw
9112
9113	USE surface_mod, &
9114	ONLY: surf_type
9115
9116	IMPLICIT NONE
9117
9118	INTEGER(iwp) :: i !< loop index
9119	INTEGER(iwp) :: j !< loop index
9120	INTEGER(iwp) :: k !< loop index
9121	INTEGER(iwp) :: ic !< loop index
9122
9123	INTEGER(iwp), INTENT(in) :: ib !< Aerosol size bin index
9124	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
9125	INTEGER(iwp), INTENT(in) :: surf_num !< index surface elements
9126
9127	REAL(wp), INTENT(in) :: mass_frac !< mass fraction of a chemical compound in all bins
9128	REAL(wp), INTENT(in) :: nsource !< number source (#/m2/s)
9129	REAL(wp), INTENT(in) :: prho !< Aerosol density
9130
9131	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9132	!
9133	!-- Get indices of respective grid point
9134	i = surface%i(surf_num)
9135	j = surface%j(surf_num)
9136	k = surface%k(surf_num)
9137	!
9138	!-- Subrange 2a:
9139	ic = ( ispec - 1 ) * nbins_aerosol + ib
9140	surface%amsws(surf_num,ic) = surface%amsws(surf_num,ic) + mass_frac * nsource * &
9141	aero(ib)%core * prho * rho_air_zw(k-1)
9142	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(surf_num,ic)
9143
9144	END SUBROUTINE set_mass_flux
9145
9146	END SUBROUTINE salsa_emission_setup
9147
9148	!------------------------------------------------------------------------------!
9149	! Description:
9150	! ------------
9151	!> Sets the gaseous fluxes
9152	!------------------------------------------------------------------------------!
9153	SUBROUTINE salsa_gas_emission_setup( init )
9154
9155	USE netcdf_data_input_mod, &
9156	ONLY: check_existence, close_input_file, get_attribute, get_variable, &
9157	inquire_num_variables, inquire_variable_names, &
9158	get_dimension_length, open_read_file
9159
9160	USE palm_date_time_mod, &
9161	ONLY: days_per_week, get_date_time, hours_per_day, months_per_year, seconds_per_hour
9162
9163	USE surface_mod, &
9164	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
9165
9166	IMPLICIT NONE
9167
9168	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
9169	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
9170
9171	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names in input data
9172
9173
9174	INTEGER(iwp) :: day_of_month !< day of the month
9175	INTEGER(iwp) :: day_of_week !< day of the week
9176	INTEGER(iwp) :: day_of_year !< day of the year
9177	INTEGER(iwp) :: hour_of_day !< hour of the day
9178	INTEGER(iwp) :: id_chem !< NetCDF id of chemistry emission file
9179	INTEGER(iwp) :: i !< loop index
9180	INTEGER(iwp) :: ig !< loop index
9181	INTEGER(iwp) :: in !< running index for emission categories
9182	INTEGER(iwp) :: index_dd !< index day
9183	INTEGER(iwp) :: index_hh !< index hour
9184	INTEGER(iwp) :: index_mm !< index month
9185	INTEGER(iwp) :: j !< loop index
9186	INTEGER(iwp) :: month_of_year !< month of the year
9187	INTEGER(iwp) :: num_vars !< number of variables
9188
9189	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
9190
9191	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
9192
9193	REAL(wp) :: second_of_day !< second of the day
9194
9195	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
9196
9197	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: dum_var_3d !<
9198
9199	REAL(wp), DIMENSION(:,:,:,:,:), ALLOCATABLE :: dum_var_5d !<
9200
9201	!
9202	!-- Reset surface fluxes
9203	surf_def_h(0)%gtsws = 0.0_wp
9204	surf_lsm_h%gtsws = 0.0_wp
9205	surf_usm_h%gtsws = 0.0_wp
9206
9207	#if defined( __netcdf )
9208	!
9209	!-- Check existence of PIDS_CHEM file
9210	INQUIRE( FILE = 'PIDS_CHEM' // TRIM( coupling_char ), EXIST = netcdf_extend )
9211	IF ( .NOT. netcdf_extend ) THEN
9212	message_string = 'Input file PIDS_CHEM' // TRIM( coupling_char ) // ' missing!'
9213	CALL message( 'salsa_gas_emission_setup', 'PA0640', 1, 2, 0, 6, 0 )
9214	ENDIF
9215	!
9216	!-- Open file in read-only mode
9217	CALL open_read_file( 'PIDS_CHEM' // TRIM( coupling_char ), id_chem )
9218
9219	IF ( init ) THEN
9220	!
9221	!-- Read the index and name of chemical components
9222	CALL get_dimension_length( id_chem, chem_emission_att%n_emiss_species, 'nspecies' )
9223	ALLOCATE( chem_emission_att%species_index(1:chem_emission_att%n_emiss_species) )
9224	CALL get_variable( id_chem, 'emission_index', chem_emission_att%species_index )
9225	CALL get_variable( id_chem, 'emission_name', chem_emission_att%species_name, &
9226	chem_emission_att%n_emiss_species )
9227	!
9228	!-- Allocate emission data
9229	ALLOCATE( chem_emission(1:chem_emission_att%n_emiss_species) )
9230	!
9231	!-- Find the corresponding indices in the model
9232	emission_index_chem = 0
9233	DO ig = 1, chem_emission_att%n_emiss_species
9234	in_name = chem_emission_att%species_name(ig)
9235	SELECT CASE ( TRIM( in_name ) )
9236	CASE ( 'H2SO4', 'h2so4' )
9237	emission_index_chem(1) = ig
9238	CASE ( 'HNO3', 'hno3' )
9239	emission_index_chem(2) = ig
9240	CASE ( 'NH3', 'nh3' )
9241	emission_index_chem(3) = ig
9242	CASE ( 'OCNV', 'ocnv' )
9243	emission_index_chem(4) = ig
9244	CASE ( 'OCSV', 'ocsv' )
9245	emission_index_chem(5) = ig
9246	END SELECT
9247	ENDDO
9248	!
9249	!-- Inquire the fill value
9250	CALL get_attribute( id_chem, '_FillValue', aero_emission%fill, .FALSE., 'emission_values' )
9251	!
9252	!-- Inquire units of emissions
9253	CALL get_attribute( id_chem, 'units', chem_emission_att%units, .FALSE., 'emission_values' )
9254	!
9255	!-- Inquire the level of detail (lod)
9256	CALL get_attribute( id_chem, 'lod', lod_gas_emissions, .FALSE., 'emission_values' )
9257	!
9258	!-- Variable names
9259	CALL inquire_num_variables( id_chem, num_vars )
9260	ALLOCATE( var_names(1:num_vars) )
9261	CALL inquire_variable_names( id_chem, var_names )
9262	!
9263	!-- Default mode: as total emissions per year
9264	IF ( lod_gas_emissions == 1 ) THEN
9265
9266	!
9267	!-- Get number of emission categories and allocate emission arrays
9268	CALL get_dimension_length( id_chem, chem_emission_att%ncat, 'ncat' )
9269	ALLOCATE( chem_emission_att%cat_index(1:chem_emission_att%ncat), &
9270	time_factor(1:chem_emission_att%ncat) )
9271	!
9272	!-- Get emission category names and indices
9273	CALL get_variable( id_chem, 'emission_category_name', chem_emission_att%cat_name, &
9274	chem_emission_att%ncat)
9275	CALL get_variable( id_chem, 'emission_category_index', chem_emission_att%cat_index )
9276	!
9277	!-- Emission time factors: Find check whether emission time factors are given for each hour
9278	!-- of year OR based on month, day and hour
9279	!
9280	!-- For each hour of year:
9281	IF ( check_existence( var_names, 'nhoursyear' ) ) THEN
9282	CALL get_dimension_length( id_chem, chem_emission_att%nhoursyear, 'nhoursyear' )
9283	ALLOCATE( chem_emission_att%hourly_emis_time_factor(1:chem_emission_att%ncat, &
9284	1:chem_emission_att%nhoursyear) )
9285	CALL get_variable( id_chem, 'emission_time_factors', &
9286	chem_emission_att%hourly_emis_time_factor, &
9287	0, chem_emission_att%nhoursyear-1, 0, chem_emission_att%ncat-1 )
9288	!
9289	!-- Based on the month, day and hour:
9290	ELSEIF ( check_existence( var_names, 'nmonthdayhour' ) ) THEN
9291	CALL get_dimension_length( id_chem, chem_emission_att%nmonthdayhour, 'nmonthdayhour' )
9292	ALLOCATE( chem_emission_att%mdh_emis_time_factor(1:chem_emission_att%ncat, &
9293	1:chem_emission_att%nmonthdayhour) )
9294	CALL get_variable( id_chem, 'emission_time_factors', &
9295	chem_emission_att%mdh_emis_time_factor, &
9296	0, chem_emission_att%nmonthdayhour-1, 0, chem_emission_att%ncat-1 )
9297	ELSE
9298	message_string = 'emission_time_factors should be given for each nhoursyear OR ' // &
9299	'nmonthdayhour'
9300	CALL message( 'salsa_gas_emission_setup','PA0641', 1, 2, 0, 6, 0 )
9301	ENDIF
9302	!
9303	!-- Next emission update
9304	CALL get_date_time( time_since_reference_point, second_of_day=second_of_day )
9305	next_gas_emission_update = MOD( second_of_day, seconds_per_hour ) - seconds_per_hour
9306	!
9307	!-- Allocate and read surface emission data (in total PM) (NOTE that "preprocessed" input data
9308	!-- array is applied now here)
9309	ALLOCATE( dum_var_5d(1,nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species, &
9310	1:chem_emission_att%ncat) )
9311	CALL get_variable( id_chem, 'emission_values', dum_var_5d, 0, chem_emission_att%ncat-1, &
9312	0, chem_emission_att%n_emiss_species-1, nxl, nxr, nys, nyn, 0, 0 )
9313	DO ig = 1, chem_emission_att%n_emiss_species
9314	ALLOCATE( chem_emission(ig)%default_emission_data(nys:nyn,nxl:nxr, &
9315	1:chem_emission_att%ncat) )
9316	DO in = 1, chem_emission_att%ncat
9317	DO i = nxl, nxr
9318	DO j = nys, nyn
9319	chem_emission(ig)%default_emission_data(j,i,in) = dum_var_5d(1,j,i,ig,in)
9320	ENDDO
9321	ENDDO
9322	ENDDO
9323	ENDDO
9324	DEALLOCATE( dum_var_5d )
9325	!
9326	!-- Pre-processed mode:
9327	ELSEIF ( lod_gas_emissions == 2 ) THEN
9328	!
9329	!-- Number of time steps in the emission data
9330	CALL get_dimension_length( id_chem, chem_emission_att%dt_emission, 'time' )
9331	!
9332	!-- Allocate and read time
9333	ALLOCATE( gas_emission_time(1:chem_emission_att%dt_emission) )
9334	CALL get_variable( id_chem, 'time', gas_emission_time )
9335	ELSE
9336	message_string = 'Unknown lod for emission_values.'
9337	CALL message( 'salsa_gas_emission_setup','PA0642', 1, 2, 0, 6, 0 )
9338	ENDIF ! lod
9339
9340	ENDIF ! init
9341	!
9342	!-- Define and set current emission values:
9343
9344	IF ( lod_gas_emissions == 1 ) THEN
9345	!
9346	!-- Emission time factors for each emission category at current time step
9347	IF ( chem_emission_att%nhoursyear > chem_emission_att%nmonthdayhour ) THEN
9348	!
9349	!-- Get the index of the current hour
9350	CALL get_date_time( time_since_reference_point, &
9351	day_of_year=day_of_year, hour=hour_of_day )
9352	index_hh = ( day_of_year - 1_iwp ) * hours_per_day + hour_of_day
9353	time_factor = chem_emission_att%hourly_emis_time_factor(:,index_hh)
9354
9355	ELSEIF ( chem_emission_att%nhoursyear < chem_emission_att%nmonthdayhour ) THEN
9356	!
9357	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
9358	!-- Needs to be calculated.)
9359	CALL get_date_time( time_since_reference_point, &
9360	month=month_of_year, &
9361	day=day_of_month, &
9362	hour=hour_of_day, &
9363	day_of_week=day_of_week )
9364	index_mm = month_of_year
9365	index_dd = months_per_year + day_of_week
9366	SELECT CASE(TRIM(daytype))
9367
9368	CASE ("workday")
9369	index_hh = months_per_year + days_per_week + hour_of_day
9370
9371	CASE ("weekend")
9372	index_hh = months_per_year + days_per_week + hours_per_day + hour_of_day
9373
9374	CASE ("holiday")
9375	index_hh = months_per_year + days_per_week + 2*hours_per_day + hour_of_day
9376
9377	END SELECT
9378	time_factor = chem_emission_att%mdh_emis_time_factor(:,index_mm) * &
9379	chem_emission_att%mdh_emis_time_factor(:,index_dd) * &
9380	chem_emission_att%mdh_emis_time_factor(:,index_hh)
9381	ENDIF
9382	!
9383	!-- Set gas emissions for each emission category
9384	ALLOCATE( dum_var_3d(nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species) )
9385
9386	DO in = 1, chem_emission_att%ncat
9387	DO ig = 1, chem_emission_att%n_emiss_species
9388	dum_var_3d(:,:,ig) = chem_emission(ig)%default_emission_data(:,:,in)
9389	ENDDO
9390	!
9391	!-- Set surface fluxes only for either default, land or urban surface
9392	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9393	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
9394	dum_var_3d(:,:,in), time_factor(in) )
9395	ELSE
9396	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
9397	dum_var_3d(:,:,in), time_factor(in) )
9398	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
9399	dum_var_3d(:,:,in), time_factor(in) )
9400	ENDIF
9401	ENDDO
9402	DEALLOCATE( dum_var_3d )
9403	!
9404	!-- The next emission update is again after one hour
9405	next_gas_emission_update = next_gas_emission_update + 3600.0_wp
9406
9407	ELSEIF ( lod_gas_emissions == 2 ) THEN
9408	!
9409	!-- Obtain time index for current input starting at 0.
9410	!-- @todo: At the moment emission data and simulated time correspond to each other.
9411	chem_emission_att%i_hour = MINLOC( ABS( gas_emission_time - time_since_reference_point ), &
9412	DIM = 1 ) - 1
9413	!
9414	!-- Allocate the data input array always before reading in the data and deallocate after (NOTE
9415	!-- that "preprocessed" input data array is applied now here)
9416	ALLOCATE( dum_var_5d(1,1,nys:nyn,nxl:nxr,1:chem_emission_att%n_emiss_species) )
9417	!
9418	!-- Read in the next time step
9419	CALL get_variable( id_chem, 'emission_values', dum_var_5d, &
9420	0, chem_emission_att%n_emiss_species-1, nxl, nxr, nys, nyn, 0, 0, &
9421	chem_emission_att%i_hour, chem_emission_att%i_hour )
9422	!
9423	!-- Set surface fluxes only for either default, land or urban surface
9424	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
9425	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
9426	dum_var_5d(1,1,:,:,:) )
9427	ELSE
9428	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
9429	dum_var_5d(1,1,:,:,:) )
9430	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
9431	dum_var_5d(1,1,:,:,:) )
9432	ENDIF
9433	DEALLOCATE ( dum_var_5d )
9434	!
9435	!-- Determine the next emission update
9436	next_gas_emission_update = gas_emission_time(chem_emission_att%i_hour+2)
9437
9438	ENDIF
9439	!
9440	!-- Close input file
9441	CALL close_input_file( id_chem )
9442
9443	#else
9444	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' // &
9445	' __netcdf is not used in compiling!'
9446	CALL message( 'salsa_gas_emission_setup', 'PA0643', 1, 2, 0, 6, 0 )
9447
9448	#endif
9449
9450	CONTAINS
9451	!------------------------------------------------------------------------------!
9452	! Description:
9453	! ------------
9454	!> Set gas fluxes for selected type of surfaces
9455	!------------------------------------------------------------------------------!
9456	SUBROUTINE set_gas_flux( surface, cc_i_mod, unit, source_array, time_fac )
9457
9458	USE arrays_3d, &
9459	ONLY: dzw, hyp, pt, rho_air_zw
9460
9461	USE grid_variables, &
9462	ONLY: dx, dy
9463
9464	USE surface_mod, &
9465	ONLY: surf_type
9466
9467	IMPLICIT NONE
9468
9469	CHARACTER(LEN=*), INTENT(in) :: unit !< flux unit in the input file
9470
9471	INTEGER(iwp) :: ig !< running index for gases
9472	INTEGER(iwp) :: i !< loop index
9473	INTEGER(iwp) :: j !< loop index
9474	INTEGER(iwp) :: k !< loop index
9475	INTEGER(iwp) :: m !< running index for surface elements
9476
9477	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of different gases in the input data
9478
9479	LOGICAL :: use_time_fac !< .TRUE. is time_fac present
9480
9481	REAL(wp), OPTIONAL :: time_fac !< emission time factor
9482
9483	REAL(wp), DIMENSION(ngases_salsa) :: conv !< unit conversion factor
9484
9485	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,chem_emission_att%n_emiss_species), INTENT(in) :: source_array !<
9486
9487	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
9488
9489	conv = 1.0_wp
9490	use_time_fac = PRESENT( time_fac )
9491
9492	DO m = 1, surface%ns
9493	!
9494	!-- Get indices of respective grid point
9495	i = surface%i(m)
9496	j = surface%j(m)
9497	k = surface%k(m)
9498	!
9499	!-- Unit conversion factor: convert to SI units (#/m2/s)
9500	SELECT CASE ( TRIM( unit ) )
9501	CASE ( 'kg/m2/yr' )
9502	conv(1) = avo / ( amh2so4 * 3600.0_wp )
9503	conv(2) = avo / ( amhno3 * 3600.0_wp )
9504	conv(3) = avo / ( amnh3 * 3600.0_wp )
9505	conv(4) = avo / ( amoc * 3600.0_wp )
9506	conv(5) = avo / ( amoc * 3600.0_wp )
9507	CASE ( 'g/m2/yr' )
9508	conv(1) = avo / ( amh2so4 * 3.6E+6_wp )
9509	conv(2) = avo / ( amhno3 * 3.6E+6_wp )
9510	conv(3) = avo / ( amnh3 * 3.6E+6_wp )
9511	conv(4) = avo / ( amoc * 3.6E+6_wp )
9512	conv(5) = avo / ( amoc * 3.6E+6_wp )
9513	CASE ( 'g/m2/s' )
9514	conv(1) = avo / ( amh2so4 * 1000.0_wp )
9515	conv(2) = avo / ( amhno3 * 1000.0_wp )
9516	conv(3) = avo / ( amnh3 * 1000.0_wp )
9517	conv(4) = avo / ( amoc * 1000.0_wp )
9518	conv(5) = avo / ( amoc * 1000.0_wp )
9519	CASE ( '#/m2/s' )
9520	conv = 1.0_wp
9521	CASE ( 'ppm/m2/s' )
9522	conv = for_ppm_to_nconc * hyp(k) / pt(k,j,i) * ( 1.0E5_wp / hyp(k) )*0.286_wp &
9523	dx * dy * dzw(k)
9524	CASE ( 'mumol/m2/s' )
9525	conv = 1.0E-6_wp * avo
9526	CASE DEFAULT
9527	message_string = 'unknown unit for gas emissions: ' // TRIM( chem_emission_att%units )
9528	CALL message( 'set_gas_flux','PA0644', 1, 2, 0, 6, 0 )
9529
9530	END SELECT
9531
9532	DO ig = 1, ngases_salsa
9533	IF ( use_time_fac ) THEN
9534	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) * time_fac &
9535	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9536	ELSE
9537	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) &
9538	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9539	ENDIF
9540	ENDDO ! ig
9541
9542	ENDDO ! m
9543
9544	END SUBROUTINE set_gas_flux
9545
9546	END SUBROUTINE salsa_gas_emission_setup
9547
9548	!------------------------------------------------------------------------------!
9549	! Description:
9550	! ------------
9551	!> Check data output for salsa.
9552	!------------------------------------------------------------------------------!
9553	SUBROUTINE salsa_check_data_output( var, unit )
9554
9555	IMPLICIT NONE
9556
9557	CHARACTER(LEN=*) :: unit !<
9558	CHARACTER(LEN=*) :: var !<
9559
9560	INTEGER(iwp) :: char_to_int !< for converting character to integer
9561
9562	IF ( var(1:6) /= 'salsa_' ) THEN
9563	unit = 'illegal'
9564	RETURN
9565	ENDIF
9566	!
9567	!-- Treat bin-specific outputs separately
9568	IF ( var(7:11) == 'N_bin' ) THEN
9569	READ( var(12:),* ) char_to_int
9570	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
9571	unit = '#/m3'
9572	ELSE
9573	unit = 'illegal'
9574	RETURN
9575	ENDIF
9576
9577	ELSEIF ( var(7:11) == 'm_bin' ) THEN
9578	READ( var(12:),* ) char_to_int
9579	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
9580	unit = 'kg/m3'
9581	ELSE
9582	unit = 'illegal'
9583	RETURN
9584	ENDIF
9585
9586	ELSE
9587	SELECT CASE ( TRIM( var(7:) ) )
9588
9589	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9590	IF ( salsa_gases_from_chem ) THEN
9591	message_string = 'gases are imported from the chemistry module and thus output '// &
9592	'of "' // TRIM( var ) // '" is not allowed'
9593	CALL message( 'check_parameters', 'PA0653', 1, 2, 0, 6, 0 )
9594	ENDIF
9595	unit = '#/m3'
9596
9597	CASE ( 'LDSA' )
9598	unit = 'mum2/cm3'
9599
9600	CASE ( 'PM0.1', 'PM2.5', 'PM10', 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', &
9601	's_SO4', 's_SS' )
9602	unit = 'kg/m3'
9603
9604	CASE ( 'N_UFP', 'Ntot' )
9605	unit = '#/m3'
9606
9607	CASE DEFAULT
9608	unit = 'illegal'
9609
9610	END SELECT
9611	ENDIF
9612
9613	END SUBROUTINE salsa_check_data_output
9614
9615	!------------------------------------------------------------------------------!
9616	! Description:
9617	! ------------
9618	!> Check profile data output for salsa. Currently only for diagnostic variables
9619	!> Ntot, N_UFP, PM0.1, PM2.5, PM10 and LDSA
9620	!------------------------------------------------------------------------------!
9621	SUBROUTINE salsa_check_data_output_pr( var, var_count, unit, dopr_unit )
9622
9623	USE arrays_3d, &
9624	ONLY: zu
9625
9626	USE profil_parameter, &
9627	ONLY: dopr_index
9628
9629	USE statistics, &
9630	ONLY: hom, pr_palm, statistic_regions
9631
9632	IMPLICIT NONE
9633
9634	CHARACTER(LEN=*) :: dopr_unit !<
9635	CHARACTER(LEN=*) :: unit !<
9636	CHARACTER(LEN=*) :: var !<
9637
9638	INTEGER(iwp) :: var_count !<
9639
9640	IF ( var(1:6) /= 'salsa_' ) THEN
9641	unit = 'illegal'
9642	RETURN
9643	ENDIF
9644
9645	SELECT CASE ( TRIM( var(7:) ) )
9646
9647	CASE( 'LDSA' )
9648	salsa_pr_count = salsa_pr_count + 1
9649	salsa_pr_index(salsa_pr_count) = 1
9650	dopr_index(var_count) = pr_palm + salsa_pr_count
9651	dopr_unit = 'mum2/cm3'
9652	unit = dopr_unit
9653	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9654
9655	CASE( 'N_UFP' )
9656	salsa_pr_count = salsa_pr_count + 1
9657	salsa_pr_index(salsa_pr_count) = 2
9658	dopr_index(var_count) = pr_palm + salsa_pr_count
9659	dopr_unit = '#/m3'
9660	unit = dopr_unit
9661	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9662
9663	CASE( 'Ntot' )
9664	salsa_pr_count = salsa_pr_count + 1
9665	salsa_pr_index(salsa_pr_count) = 3
9666	dopr_index(var_count) = pr_palm + salsa_pr_count
9667	dopr_unit = '#/m3'
9668	unit = dopr_unit
9669	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9670
9671	CASE( 'PM0.1' )
9672	salsa_pr_count = salsa_pr_count + 1
9673	salsa_pr_index(salsa_pr_count) = 4
9674	dopr_index(var_count) = pr_palm + salsa_pr_count
9675	dopr_unit = 'kg/m3'
9676	unit = dopr_unit
9677	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9678
9679	CASE( 'PM2.5' )
9680	salsa_pr_count = salsa_pr_count + 1
9681	salsa_pr_index(salsa_pr_count) = 5
9682	dopr_index(var_count) = pr_palm + salsa_pr_count
9683	dopr_unit = 'kg/m3'
9684	unit = dopr_unit
9685	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9686
9687	CASE( 'PM10' )
9688	salsa_pr_count = salsa_pr_count + 1
9689	salsa_pr_index(salsa_pr_count) = 6
9690	dopr_index(var_count) = pr_palm + salsa_pr_count
9691	dopr_unit = 'kg/m3'
9692	unit = dopr_unit
9693	hom(:,2,dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
9694
9695	CASE DEFAULT
9696	unit = 'illegal'
9697
9698	END SELECT
9699
9700
9701	END SUBROUTINE salsa_check_data_output_pr
9702
9703	!-------------------------------------------------------------------------------!
9704	!> Description:
9705	!> Calculation of horizontally averaged profiles for salsa.
9706	!-------------------------------------------------------------------------------!
9707	SUBROUTINE salsa_statistics( mode, sr, tn )
9708
9709	USE control_parameters, &
9710	ONLY: max_pr_user
9711
9712	USE chem_modules, &
9713	ONLY: max_pr_cs
9714
9715	USE statistics, &
9716	ONLY: pr_palm, rmask, sums_l
9717
9718	IMPLICIT NONE
9719
9720	CHARACTER(LEN=*) :: mode !<
9721
9722	INTEGER(iwp) :: i !< loop index
9723	INTEGER(iwp) :: ib !< loop index
9724	INTEGER(iwp) :: ic !< loop index
9725	INTEGER(iwp) :: ii !< loop index
9726	INTEGER(iwp) :: ind !< index in the statistical output
9727	INTEGER(iwp) :: j !< loop index
9728	INTEGER(iwp) :: k !< loop index
9729	INTEGER(iwp) :: sr !< statistical region
9730	INTEGER(iwp) :: tn !< thread number
9731
9732	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
9733	!< (or tracheobronchial) region of the lung. Depends on the particle size
9734	REAL(wp) :: mean_d !< Particle diameter in micrometres
9735	REAL(wp) :: temp_bin !< temporary variable
9736
9737	IF ( mode == 'profiles' ) THEN
9738	!$OMP DO
9739	DO ii = 1, salsa_pr_count
9740
9741	ind = pr_palm + max_pr_user + max_pr_cs + ii
9742
9743	SELECT CASE( salsa_pr_index(ii) )
9744
9745	CASE( 1 ) ! LDSA
9746	DO i = nxl, nxr
9747	DO j = nys, nyn
9748	DO k = nzb, nzt+1
9749	temp_bin = 0.0_wp
9750	DO ib = 1, nbins_aerosol
9751	!
9752	!-- Diameter in micrometres
9753	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
9754	!
9755	!-- Deposition factor: alveolar
9756	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
9757	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
9758	1.362_wp )**2 ) )
9759	!
9760	!-- Lung-deposited surface area LDSA (units mum2/cm3)
9761	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
9762	aerosol_number(ib)%conc(k,j,i)
9763	ENDDO
9764	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9765	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9766	ENDDO
9767	ENDDO
9768	ENDDO
9769
9770	CASE( 2 ) ! N_UFP
9771	DO i = nxl, nxr
9772	DO j = nys, nyn
9773	DO k = nzb, nzt+1
9774	temp_bin = 0.0_wp
9775	DO ib = 1, nbins_aerosol
9776	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) &
9777	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
9778	ENDDO
9779	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9780	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9781	ENDDO
9782	ENDDO
9783	ENDDO
9784
9785	CASE( 3 ) ! Ntot
9786	DO i = nxl, nxr
9787	DO j = nys, nyn
9788	DO k = nzb, nzt+1
9789	temp_bin = 0.0_wp
9790	DO ib = 1, nbins_aerosol
9791	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
9792	ENDDO
9793	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9794	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9795	ENDDO
9796	ENDDO
9797	ENDDO
9798
9799	CASE( 4 ) ! PM0.1
9800	DO i = nxl, nxr
9801	DO j = nys, nyn
9802	DO k = nzb, nzt+1
9803	temp_bin = 0.0_wp
9804	DO ib = 1, nbins_aerosol
9805	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
9806	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9807	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9808	ENDDO
9809	ENDIF
9810	ENDDO
9811	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9812	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9813	ENDDO
9814	ENDDO
9815	ENDDO
9816
9817	CASE( 5 ) ! PM2.5
9818	DO i = nxl, nxr
9819	DO j = nys, nyn
9820	DO k = nzb, nzt+1
9821	temp_bin = 0.0_wp
9822	DO ib = 1, nbins_aerosol
9823	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
9824	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9825	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9826	ENDDO
9827	ENDIF
9828	ENDDO
9829	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9830	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9831	ENDDO
9832	ENDDO
9833	ENDDO
9834
9835	CASE( 6 ) ! PM10
9836	DO i = nxl, nxr
9837	DO j = nys, nyn
9838	DO k = nzb, nzt+1
9839	temp_bin = 0.0_wp
9840	DO ib = 1, nbins_aerosol
9841	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
9842	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9843	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9844	ENDDO
9845	ENDIF
9846	ENDDO
9847	sums_l(k,ind,tn) = sums_l(k,ind,tn) + temp_bin * rmask(j,i,sr) * &
9848	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 22 ) )
9849	ENDDO
9850	ENDDO
9851	ENDDO
9852
9853	END SELECT
9854	ENDDO
9855
9856	ELSEIF ( mode == 'time_series' ) THEN
9857	!
9858	!-- TODO
9859	ENDIF
9860
9861	END SUBROUTINE salsa_statistics
9862
9863
9864	!------------------------------------------------------------------------------!
9865	!
9866	! Description:
9867	! ------------
9868	!> Subroutine for averaging 3D data
9869	!------------------------------------------------------------------------------!
9870	SUBROUTINE salsa_3d_data_averaging( mode, variable )
9871
9872	USE control_parameters, &
9873	ONLY: average_count_3d
9874
9875	IMPLICIT NONE
9876
9877	CHARACTER(LEN=*) :: mode !<
9878	CHARACTER(LEN=10) :: vari !<
9879	CHARACTER(LEN=*) :: variable !<
9880
9881	INTEGER(iwp) :: char_to_int !< for converting character to integer
9882	INTEGER(iwp) :: found_index !<
9883	INTEGER(iwp) :: i !<
9884	INTEGER(iwp) :: ib !<
9885	INTEGER(iwp) :: ic !<
9886	INTEGER(iwp) :: j !<
9887	INTEGER(iwp) :: k !<
9888
9889	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
9890	!< (or tracheobronchial) region of the lung. Depends on the particle size
9891	REAL(wp) :: mean_d !< Particle diameter in micrometres
9892	REAL(wp) :: temp_bin !< temporary variable
9893
9894	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< points to selected output variable
9895
9896	temp_bin = 0.0_wp
9897
9898	IF ( mode == 'allocate' ) THEN
9899
9900	IF ( variable(7:11) == 'N_bin' ) THEN
9901	IF ( .NOT. ALLOCATED( nbins_av ) ) THEN
9902	ALLOCATE( nbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
9903	ENDIF
9904	nbins_av = 0.0_wp
9905
9906	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
9907	IF ( .NOT. ALLOCATED( mbins_av ) ) THEN
9908	ALLOCATE( mbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
9909	ENDIF
9910	mbins_av = 0.0_wp
9911
9912	ELSE
9913
9914	SELECT CASE ( TRIM( variable(7:) ) )
9915
9916	CASE ( 'g_H2SO4' )
9917	IF ( .NOT. ALLOCATED( g_h2so4_av ) ) THEN
9918	ALLOCATE( g_h2so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9919	ENDIF
9920	g_h2so4_av = 0.0_wp
9921
9922	CASE ( 'g_HNO3' )
9923	IF ( .NOT. ALLOCATED( g_hno3_av ) ) THEN
9924	ALLOCATE( g_hno3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9925	ENDIF
9926	g_hno3_av = 0.0_wp
9927
9928	CASE ( 'g_NH3' )
9929	IF ( .NOT. ALLOCATED( g_nh3_av ) ) THEN
9930	ALLOCATE( g_nh3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9931	ENDIF
9932	g_nh3_av = 0.0_wp
9933
9934	CASE ( 'g_OCNV' )
9935	IF ( .NOT. ALLOCATED( g_ocnv_av ) ) THEN
9936	ALLOCATE( g_ocnv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9937	ENDIF
9938	g_ocnv_av = 0.0_wp
9939
9940	CASE ( 'g_OCSV' )
9941	IF ( .NOT. ALLOCATED( g_ocsv_av ) ) THEN
9942	ALLOCATE( g_ocsv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9943	ENDIF
9944	g_ocsv_av = 0.0_wp
9945
9946	CASE ( 'LDSA' )
9947	IF ( .NOT. ALLOCATED( ldsa_av ) ) THEN
9948	ALLOCATE( ldsa_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9949	ENDIF
9950	ldsa_av = 0.0_wp
9951
9952	CASE ( 'N_UFP' )
9953	IF ( .NOT. ALLOCATED( nufp_av ) ) THEN
9954	ALLOCATE( nufp_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9955	ENDIF
9956	nufp_av = 0.0_wp
9957
9958	CASE ( 'Ntot' )
9959	IF ( .NOT. ALLOCATED( ntot_av ) ) THEN
9960	ALLOCATE( ntot_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9961	ENDIF
9962	ntot_av = 0.0_wp
9963
9964	CASE ( 'PM0.1' )
9965	IF ( .NOT. ALLOCATED( pm01_av ) ) THEN
9966	ALLOCATE( pm01_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9967	ENDIF
9968	pm01_av = 0.0_wp
9969
9970	CASE ( 'PM2.5' )
9971	IF ( .NOT. ALLOCATED( pm25_av ) ) THEN
9972	ALLOCATE( pm25_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9973	ENDIF
9974	pm25_av = 0.0_wp
9975
9976	CASE ( 'PM10' )
9977	IF ( .NOT. ALLOCATED( pm10_av ) ) THEN
9978	ALLOCATE( pm10_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9979	ENDIF
9980	pm10_av = 0.0_wp
9981
9982	CASE ( 's_BC' )
9983	IF ( .NOT. ALLOCATED( s_bc_av ) ) THEN
9984	ALLOCATE( s_bc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9985	ENDIF
9986	s_bc_av = 0.0_wp
9987
9988	CASE ( 's_DU' )
9989	IF ( .NOT. ALLOCATED( s_du_av ) ) THEN
9990	ALLOCATE( s_du_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9991	ENDIF
9992	s_du_av = 0.0_wp
9993
9994	CASE ( 's_H2O' )
9995	IF ( .NOT. ALLOCATED( s_h2o_av ) ) THEN
9996	ALLOCATE( s_h2o_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9997	ENDIF
9998	s_h2o_av = 0.0_wp
9999
10000	CASE ( 's_NH' )
10001	IF ( .NOT. ALLOCATED( s_nh_av ) ) THEN
10002	ALLOCATE( s_nh_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10003	ENDIF
10004	s_nh_av = 0.0_wp
10005
10006	CASE ( 's_NO' )
10007	IF ( .NOT. ALLOCATED( s_no_av ) ) THEN
10008	ALLOCATE( s_no_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10009	ENDIF
10010	s_no_av = 0.0_wp
10011
10012	CASE ( 's_OC' )
10013	IF ( .NOT. ALLOCATED( s_oc_av ) ) THEN
10014	ALLOCATE( s_oc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10015	ENDIF
10016	s_oc_av = 0.0_wp
10017
10018	CASE ( 's_SO4' )
10019	IF ( .NOT. ALLOCATED( s_so4_av ) ) THEN
10020	ALLOCATE( s_so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10021	ENDIF
10022	s_so4_av = 0.0_wp
10023
10024	CASE ( 's_SS' )
10025	IF ( .NOT. ALLOCATED( s_ss_av ) ) THEN
10026	ALLOCATE( s_ss_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
10027	ENDIF
10028	s_ss_av = 0.0_wp
10029
10030	CASE DEFAULT
10031	CONTINUE
10032
10033	END SELECT
10034
10035	ENDIF
10036
10037	ELSEIF ( mode == 'sum' ) THEN
10038
10039	IF ( variable(7:11) == 'N_bin' ) THEN
10040	READ( variable(12:),* ) char_to_int
10041	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10042	ib = char_to_int
10043	DO i = nxlg, nxrg
10044	DO j = nysg, nyng
10045	DO k = nzb, nzt+1
10046	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) + aerosol_number(ib)%conc(k,j,i)
10047	ENDDO
10048	ENDDO
10049	ENDDO
10050	ENDIF
10051
10052	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10053	READ( variable(12:),* ) char_to_int
10054	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10055	ib = char_to_int
10056	DO i = nxlg, nxrg
10057	DO j = nysg, nyng
10058	DO k = nzb, nzt+1
10059	temp_bin = 0.0_wp
10060	DO ic = ib, nbins_aerosol * ncomponents_mass, nbins_aerosol
10061	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10062	ENDDO
10063	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) + temp_bin
10064	ENDDO
10065	ENDDO
10066	ENDDO
10067	ENDIF
10068	ELSE
10069
10070	SELECT CASE ( TRIM( variable(7:) ) )
10071
10072	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10073
10074	vari = TRIM( variable(9:) ) ! remove salsa_g_ from beginning
10075
10076	SELECT CASE( vari )
10077
10078	CASE( 'H2SO4' )
10079	found_index = 1
10080	to_be_resorted => g_h2so4_av
10081
10082	CASE( 'HNO3' )
10083	found_index = 2
10084	to_be_resorted => g_hno3_av
10085
10086	CASE( 'NH3' )
10087	found_index = 3
10088	to_be_resorted => g_nh3_av
10089
10090	CASE( 'OCNV' )
10091	found_index = 4
10092	to_be_resorted => g_ocnv_av
10093
10094	CASE( 'OCSV' )
10095	found_index = 5
10096	to_be_resorted => g_ocsv_av
10097
10098	END SELECT
10099
10100	DO i = nxlg, nxrg
10101	DO j = nysg, nyng
10102	DO k = nzb, nzt+1
10103	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
10104	salsa_gas(found_index)%conc(k,j,i)
10105	ENDDO
10106	ENDDO
10107	ENDDO
10108
10109	CASE ( 'LDSA' )
10110	DO i = nxlg, nxrg
10111	DO j = nysg, nyng
10112	DO k = nzb, nzt+1
10113	temp_bin = 0.0_wp
10114	DO ib = 1, nbins_aerosol
10115	!
10116	!-- Diameter in micrometres
10117	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10118	!
10119	!-- Deposition factor: alveolar (use ra_dry)
10120	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10121	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10122	1.362_wp )**2 ) )
10123	!
10124	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10125	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10126	aerosol_number(ib)%conc(k,j,i)
10127	ENDDO
10128	ldsa_av(k,j,i) = ldsa_av(k,j,i) + temp_bin
10129	ENDDO
10130	ENDDO
10131	ENDDO
10132
10133	CASE ( 'N_UFP' )
10134	DO i = nxlg, nxrg
10135	DO j = nysg, nyng
10136	DO k = nzb, nzt+1
10137	temp_bin = 0.0_wp
10138	DO ib = 1, nbins_aerosol
10139	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10140	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10141	ENDIF
10142	ENDDO
10143	nufp_av(k,j,i) = nufp_av(k,j,i) + temp_bin
10144	ENDDO
10145	ENDDO
10146	ENDDO
10147
10148	CASE ( 'Ntot' )
10149	DO i = nxlg, nxrg
10150	DO j = nysg, nyng
10151	DO k = nzb, nzt+1
10152	DO ib = 1, nbins_aerosol
10153	ntot_av(k,j,i) = ntot_av(k,j,i) + aerosol_number(ib)%conc(k,j,i)
10154	ENDDO
10155	ENDDO
10156	ENDDO
10157	ENDDO
10158
10159	CASE ( 'PM0.1' )
10160	DO i = nxlg, nxrg
10161	DO j = nysg, nyng
10162	DO k = nzb, nzt+1
10163	temp_bin = 0.0_wp
10164	DO ib = 1, nbins_aerosol
10165	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10166	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10167	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10168	ENDDO
10169	ENDIF
10170	ENDDO
10171	pm01_av(k,j,i) = pm01_av(k,j,i) + temp_bin
10172	ENDDO
10173	ENDDO
10174	ENDDO
10175
10176	CASE ( 'PM2.5' )
10177	DO i = nxlg, nxrg
10178	DO j = nysg, nyng
10179	DO k = nzb, nzt+1
10180	temp_bin = 0.0_wp
10181	DO ib = 1, nbins_aerosol
10182	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10183	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10184	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10185	ENDDO
10186	ENDIF
10187	ENDDO
10188	pm25_av(k,j,i) = pm25_av(k,j,i) + temp_bin
10189	ENDDO
10190	ENDDO
10191	ENDDO
10192
10193	CASE ( 'PM10' )
10194	DO i = nxlg, nxrg
10195	DO j = nysg, nyng
10196	DO k = nzb, nzt+1
10197	temp_bin = 0.0_wp
10198	DO ib = 1, nbins_aerosol
10199	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10200	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10201	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10202	ENDDO
10203	ENDIF
10204	ENDDO
10205	pm10_av(k,j,i) = pm10_av(k,j,i) + temp_bin
10206	ENDDO
10207	ENDDO
10208	ENDDO
10209
10210	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10211	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
10212	found_index = get_index( prtcl, TRIM( variable(9:) ) )
10213	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
10214	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
10215	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
10216	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
10217	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
10218	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
10219	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
10220	DO i = nxlg, nxrg
10221	DO j = nysg, nyng
10222	DO k = nzb, nzt+1
10223	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10224	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
10225	aerosol_mass(ic)%conc(k,j,i)
10226	ENDDO
10227	ENDDO
10228	ENDDO
10229	ENDDO
10230	ENDIF
10231
10232	CASE ( 's_H2O' )
10233	found_index = get_index( prtcl,'H2O' )
10234	to_be_resorted => s_h2o_av
10235	DO i = nxlg, nxrg
10236	DO j = nysg, nyng
10237	DO k = nzb, nzt+1
10238	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10239	s_h2o_av(k,j,i) = s_h2o_av(k,j,i) + aerosol_mass(ic)%conc(k,j,i)
10240	ENDDO
10241	ENDDO
10242	ENDDO
10243	ENDDO
10244
10245	CASE DEFAULT
10246	CONTINUE
10247
10248	END SELECT
10249
10250	ENDIF
10251
10252	ELSEIF ( mode == 'average' ) THEN
10253
10254	IF ( variable(7:11) == 'N_bin' ) THEN
10255	READ( variable(12:),* ) char_to_int
10256	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10257	ib = char_to_int
10258	DO i = nxlg, nxrg
10259	DO j = nysg, nyng
10260	DO k = nzb, nzt+1
10261	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp )
10262	ENDDO
10263	ENDDO
10264	ENDDO
10265	ENDIF
10266
10267	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10268	READ( variable(12:),* ) char_to_int
10269	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10270	ib = char_to_int
10271	DO i = nxlg, nxrg
10272	DO j = nysg, nyng
10273	DO k = nzb, nzt+1
10274	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp)
10275	ENDDO
10276	ENDDO
10277	ENDDO
10278	ENDIF
10279	ELSE
10280
10281	SELECT CASE ( TRIM( variable(7:) ) )
10282
10283	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10284	IF ( TRIM( variable(9:) ) == 'H2SO4' ) THEN ! 9: remove salsa_g_ from beginning
10285	found_index = 1
10286	to_be_resorted => g_h2so4_av
10287	ELSEIF ( TRIM( variable(9:) ) == 'HNO3' ) THEN
10288	found_index = 2
10289	to_be_resorted => g_hno3_av
10290	ELSEIF ( TRIM( variable(9:) ) == 'NH3' ) THEN
10291	found_index = 3
10292	to_be_resorted => g_nh3_av
10293	ELSEIF ( TRIM( variable(9:) ) == 'OCNV' ) THEN
10294	found_index = 4
10295	to_be_resorted => g_ocnv_av
10296	ELSEIF ( TRIM( variable(9:) ) == 'OCSV' ) THEN
10297	found_index = 5
10298	to_be_resorted => g_ocsv_av
10299	ENDIF
10300	DO i = nxlg, nxrg
10301	DO j = nysg, nyng
10302	DO k = nzb, nzt+1
10303	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10304	REAL( average_count_3d, KIND=wp )
10305	ENDDO
10306	ENDDO
10307	ENDDO
10308
10309	CASE ( 'LDSA' )
10310	DO i = nxlg, nxrg
10311	DO j = nysg, nyng
10312	DO k = nzb, nzt+1
10313	ldsa_av(k,j,i) = ldsa_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10314	ENDDO
10315	ENDDO
10316	ENDDO
10317
10318	CASE ( 'N_UFP' )
10319	DO i = nxlg, nxrg
10320	DO j = nysg, nyng
10321	DO k = nzb, nzt+1
10322	nufp_av(k,j,i) = nufp_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10323	ENDDO
10324	ENDDO
10325	ENDDO
10326
10327	CASE ( 'Ntot' )
10328	DO i = nxlg, nxrg
10329	DO j = nysg, nyng
10330	DO k = nzb, nzt+1
10331	ntot_av(k,j,i) = ntot_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10332	ENDDO
10333	ENDDO
10334	ENDDO
10335
10336
10337	CASE ( 'PM0.1' )
10338	DO i = nxlg, nxrg
10339	DO j = nysg, nyng
10340	DO k = nzb, nzt+1
10341	pm01_av(k,j,i) = pm01_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10342	ENDDO
10343	ENDDO
10344	ENDDO
10345
10346	CASE ( 'PM2.5' )
10347	DO i = nxlg, nxrg
10348	DO j = nysg, nyng
10349	DO k = nzb, nzt+1
10350	pm25_av(k,j,i) = pm25_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10351	ENDDO
10352	ENDDO
10353	ENDDO
10354
10355	CASE ( 'PM10' )
10356	DO i = nxlg, nxrg
10357	DO j = nysg, nyng
10358	DO k = nzb, nzt+1
10359	pm10_av(k,j,i) = pm10_av(k,j,i) / REAL( average_count_3d, KIND=wp )
10360	ENDDO
10361	ENDDO
10362	ENDDO
10363
10364	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10365	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
10366	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
10367	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
10368	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
10369	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
10370	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
10371	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
10372	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
10373	DO i = nxlg, nxrg
10374	DO j = nysg, nyng
10375	DO k = nzb, nzt+1
10376	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10377	REAL( average_count_3d, KIND=wp )
10378	ENDDO
10379	ENDDO
10380	ENDDO
10381	ENDIF
10382
10383	CASE ( 's_H2O' )
10384	to_be_resorted => s_h2o_av
10385	DO i = nxlg, nxrg
10386	DO j = nysg, nyng
10387	DO k = nzb, nzt+1
10388	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
10389	REAL( average_count_3d, KIND=wp )
10390	ENDDO
10391	ENDDO
10392	ENDDO
10393
10394	END SELECT
10395
10396	ENDIF
10397	ENDIF
10398
10399	END SUBROUTINE salsa_3d_data_averaging
10400
10401
10402	!------------------------------------------------------------------------------!
10403	!
10404	! Description:
10405	! ------------
10406	!> Subroutine defining 2D output variables
10407	!------------------------------------------------------------------------------!
10408	SUBROUTINE salsa_data_output_2d( av, variable, found, grid, mode, local_pf, two_d, nzb_do, nzt_do )
10409
10410	USE indices
10411
10412	USE kinds
10413
10414
10415	IMPLICIT NONE
10416
10417	CHARACTER(LEN=*) :: grid !<
10418	CHARACTER(LEN=*) :: mode !<
10419	CHARACTER(LEN=*) :: variable !<
10420	CHARACTER(LEN=5) :: vari !< trimmed format of variable
10421
10422	INTEGER(iwp) :: av !<
10423	INTEGER(iwp) :: char_to_int !< for converting character to integer
10424	INTEGER(iwp) :: found_index !< index of a chemical compound
10425	INTEGER(iwp) :: i !<
10426	INTEGER(iwp) :: ib !< running index: size bins
10427	INTEGER(iwp) :: ic !< running index: mass bins
10428	INTEGER(iwp) :: j !<
10429	INTEGER(iwp) :: k !<
10430	INTEGER(iwp) :: nzb_do !<
10431	INTEGER(iwp) :: nzt_do !<
10432
10433	LOGICAL :: found !<
10434	LOGICAL :: two_d !< flag parameter to indicate 2D variables (horizontal cross sections)
10435
10436	REAL(wp) :: df !< For calculating LDSA: fraction of particles
10437	!< depositing in the alveolar (or tracheobronchial)
10438	!< region of the lung. Depends on the particle size
10439	REAL(wp) :: mean_d !< Particle diameter in micrometres
10440	REAL(wp) :: temp_bin !< temporary array for calculating output variables
10441
10442	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< output
10443
10444	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
10445	!
10446	!-- Next statement is to avoid compiler warning about unused variable. May be removed in future.
10447	IF ( two_d ) CONTINUE
10448
10449	found = .TRUE.
10450	temp_bin = 0.0_wp
10451
10452	IF ( variable(7:11) == 'N_bin' ) THEN
10453
10454	READ( variable( 12:LEN( TRIM( variable ) ) - 3 ), * ) char_to_int
10455	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10456
10457	ib = char_to_int
10458	IF ( av == 0 ) THEN
10459	DO i = nxl, nxr
10460	DO j = nys, nyn
10461	DO k = nzb_do, nzt_do
10462	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
10463	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10464	ENDDO
10465	ENDDO
10466	ENDDO
10467	ELSE
10468	DO i = nxl, nxr
10469	DO j = nys, nyn
10470	DO k = nzb_do, nzt_do
10471	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10472	BTEST( wall_flags_0(k,j,i), 0 ) )
10473	ENDDO
10474	ENDDO
10475	ENDDO
10476	ENDIF
10477	IF ( mode == 'xy' ) grid = 'zu'
10478	ENDIF
10479
10480	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10481
10482	READ( variable( 12:LEN( TRIM( variable ) ) - 3 ), * ) char_to_int
10483	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10484
10485	ib = char_to_int
10486	IF ( av == 0 ) THEN
10487	DO i = nxl, nxr
10488	DO j = nys, nyn
10489	DO k = nzb_do, nzt_do
10490	temp_bin = 0.0_wp
10491	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
10492	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10493	ENDDO
10494	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10495	BTEST( wall_flags_0(k,j,i), 0 ) )
10496	ENDDO
10497	ENDDO
10498	ENDDO
10499	ELSE
10500	DO i = nxl, nxr
10501	DO j = nys, nyn
10502	DO k = nzb_do, nzt_do
10503	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10504	BTEST( wall_flags_0(k,j,i), 0 ) )
10505	ENDDO
10506	ENDDO
10507	ENDDO
10508	ENDIF
10509	IF ( mode == 'xy' ) grid = 'zu'
10510	ENDIF
10511
10512	ELSE
10513
10514	SELECT CASE ( TRIM( variable( 7:LEN( TRIM( variable ) ) - 3 ) ) ) ! cut out _xy, _xz or _yz
10515
10516	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10517	vari = TRIM( variable( 9:LEN( TRIM( variable ) ) - 3 ) ) ! 9: remove salsa_g_
10518	IF ( av == 0 ) THEN
10519	IF ( vari == 'H2SO4') found_index = 1
10520	IF ( vari == 'HNO3') found_index = 2
10521	IF ( vari == 'NH3') found_index = 3
10522	IF ( vari == 'OCNV') found_index = 4
10523	IF ( vari == 'OCSV') found_index = 5
10524	DO i = nxl, nxr
10525	DO j = nys, nyn
10526	DO k = nzb_do, nzt_do
10527	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
10528	REAL( fill_value, KIND = wp ), &
10529	BTEST( wall_flags_0(k,j,i), 0 ) )
10530	ENDDO
10531	ENDDO
10532	ENDDO
10533	ELSE
10534	IF ( vari == 'H2SO4' ) to_be_resorted => g_h2so4_av
10535	IF ( vari == 'HNO3' ) to_be_resorted => g_hno3_av
10536	IF ( vari == 'NH3' ) to_be_resorted => g_nh3_av
10537	IF ( vari == 'OCNV' ) to_be_resorted => g_ocnv_av
10538	IF ( vari == 'OCSV' ) to_be_resorted => g_ocsv_av
10539	DO i = nxl, nxr
10540	DO j = nys, nyn
10541	DO k = nzb_do, nzt_do
10542	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10543	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10544	ENDDO
10545	ENDDO
10546	ENDDO
10547	ENDIF
10548
10549	IF ( mode == 'xy' ) grid = 'zu'
10550
10551	CASE ( 'LDSA' )
10552	IF ( av == 0 ) THEN
10553	DO i = nxl, nxr
10554	DO j = nys, nyn
10555	DO k = nzb_do, nzt_do
10556	temp_bin = 0.0_wp
10557	DO ib = 1, nbins_aerosol
10558	!
10559	!-- Diameter in micrometres
10560	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10561	!
10562	!-- Deposition factor: alveolar
10563	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10564	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10565	1.362_wp )**2 ) )
10566	!
10567	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10568	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10569	aerosol_number(ib)%conc(k,j,i)
10570	ENDDO
10571
10572	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10573	BTEST( wall_flags_0(k,j,i), 0 ) )
10574	ENDDO
10575	ENDDO
10576	ENDDO
10577	ELSE
10578	DO i = nxl, nxr
10579	DO j = nys, nyn
10580	DO k = nzb_do, nzt_do
10581	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
10582	BTEST( wall_flags_0(k,j,i), 0 ) )
10583	ENDDO
10584	ENDDO
10585	ENDDO
10586	ENDIF
10587
10588	IF ( mode == 'xy' ) grid = 'zu'
10589
10590	CASE ( 'N_UFP' )
10591
10592	IF ( av == 0 ) THEN
10593	DO i = nxl, nxr
10594	DO j = nys, nyn
10595	DO k = nzb_do, nzt_do
10596	temp_bin = 0.0_wp
10597	DO ib = 1, nbins_aerosol
10598	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10599	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10600	ENDIF
10601	ENDDO
10602	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10603	BTEST( wall_flags_0(k,j,i), 0 ) )
10604	ENDDO
10605	ENDDO
10606	ENDDO
10607	ELSE
10608	DO i = nxl, nxr
10609	DO j = nys, nyn
10610	DO k = nzb_do, nzt_do
10611	local_pf(i,j,k) = MERGE( nufp_av(k,j,i), REAL( fill_value, KIND = wp ), &
10612	BTEST( wall_flags_0(k,j,i), 0 ) )
10613	ENDDO
10614	ENDDO
10615	ENDDO
10616	ENDIF
10617
10618	IF ( mode == 'xy' ) grid = 'zu'
10619
10620	CASE ( 'Ntot' )
10621
10622	IF ( av == 0 ) THEN
10623	DO i = nxl, nxr
10624	DO j = nys, nyn
10625	DO k = nzb_do, nzt_do
10626	temp_bin = 0.0_wp
10627	DO ib = 1, nbins_aerosol
10628	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10629	ENDDO
10630	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10631	BTEST( wall_flags_0(k,j,i), 0 ) )
10632	ENDDO
10633	ENDDO
10634	ENDDO
10635	ELSE
10636	DO i = nxl, nxr
10637	DO j = nys, nyn
10638	DO k = nzb_do, nzt_do
10639	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
10640	BTEST( wall_flags_0(k,j,i), 0 ) )
10641	ENDDO
10642	ENDDO
10643	ENDDO
10644	ENDIF
10645
10646	IF ( mode == 'xy' ) grid = 'zu'
10647
10648	CASE ( 'PM0.1' )
10649	IF ( av == 0 ) THEN
10650	DO i = nxl, nxr
10651	DO j = nys, nyn
10652	DO k = nzb_do, nzt_do
10653	temp_bin = 0.0_wp
10654	DO ib = 1, nbins_aerosol
10655	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
10656	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10657	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10658	ENDDO
10659	ENDIF
10660	ENDDO
10661	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10662	BTEST( wall_flags_0(k,j,i), 0 ) )
10663	ENDDO
10664	ENDDO
10665	ENDDO
10666	ELSE
10667	DO i = nxl, nxr
10668	DO j = nys, nyn
10669	DO k = nzb_do, nzt_do
10670	local_pf(i,j,k) = MERGE( pm01_av(k,j,i), REAL( fill_value, KIND = wp ), &
10671	BTEST( wall_flags_0(k,j,i), 0 ) )
10672	ENDDO
10673	ENDDO
10674	ENDDO
10675	ENDIF
10676
10677	IF ( mode == 'xy' ) grid = 'zu'
10678
10679	CASE ( 'PM2.5' )
10680	IF ( av == 0 ) THEN
10681	DO i = nxl, nxr
10682	DO j = nys, nyn
10683	DO k = nzb_do, nzt_do
10684	temp_bin = 0.0_wp
10685	DO ib = 1, nbins_aerosol
10686	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10687	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10688	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10689	ENDDO
10690	ENDIF
10691	ENDDO
10692	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10693	BTEST( wall_flags_0(k,j,i), 0 ) )
10694	ENDDO
10695	ENDDO
10696	ENDDO
10697	ELSE
10698	DO i = nxl, nxr
10699	DO j = nys, nyn
10700	DO k = nzb_do, nzt_do
10701	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
10702	BTEST( wall_flags_0(k,j,i), 0 ) )
10703	ENDDO
10704	ENDDO
10705	ENDDO
10706	ENDIF
10707
10708	IF ( mode == 'xy' ) grid = 'zu'
10709
10710	CASE ( 'PM10' )
10711	IF ( av == 0 ) THEN
10712	DO i = nxl, nxr
10713	DO j = nys, nyn
10714	DO k = nzb_do, nzt_do
10715	temp_bin = 0.0_wp
10716	DO ib = 1, nbins_aerosol
10717	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10718	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10719	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10720	ENDDO
10721	ENDIF
10722	ENDDO
10723	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10724	BTEST( wall_flags_0(k,j,i), 0 ) )
10725	ENDDO
10726	ENDDO
10727	ENDDO
10728	ELSE
10729	DO i = nxl, nxr
10730	DO j = nys, nyn
10731	DO k = nzb_do, nzt_do
10732	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
10733	BTEST( wall_flags_0(k,j,i), 0 ) )
10734	ENDDO
10735	ENDDO
10736	ENDDO
10737	ENDIF
10738
10739	IF ( mode == 'xy' ) grid = 'zu'
10740
10741	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10742	vari = TRIM( variable( 9:LEN( TRIM( variable ) ) - 3 ) ) ! 9: remove salsa_s_
10743	IF ( is_used( prtcl, vari ) ) THEN
10744	found_index = get_index( prtcl, vari )
10745	IF ( av == 0 ) THEN
10746	DO i = nxl, nxr
10747	DO j = nys, nyn
10748	DO k = nzb_do, nzt_do
10749	temp_bin = 0.0_wp
10750	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
10751	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10752	ENDDO
10753	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10754	BTEST( wall_flags_0(k,j,i), 0 ) )
10755	ENDDO
10756	ENDDO
10757	ENDDO
10758	ELSE
10759	IF ( vari == 'BC' ) to_be_resorted => s_bc_av
10760	IF ( vari == 'DU' ) to_be_resorted => s_du_av
10761	IF ( vari == 'NH' ) to_be_resorted => s_nh_av
10762	IF ( vari == 'NO' ) to_be_resorted => s_no_av
10763	IF ( vari == 'OC' ) to_be_resorted => s_oc_av
10764	IF ( vari == 'SO4' ) to_be_resorted => s_so4_av
10765	IF ( vari == 'SS' ) to_be_resorted => s_ss_av
10766	DO i = nxl, nxr
10767	DO j = nys, nyn
10768	DO k = nzb_do, nzt_do
10769	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10770	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10771	ENDDO
10772	ENDDO
10773	ENDDO
10774	ENDIF
10775	ELSE
10776	local_pf = fill_value
10777	ENDIF
10778
10779	IF ( mode == 'xy' ) grid = 'zu'
10780
10781	CASE ( 's_H2O' )
10782	found_index = get_index( prtcl, 'H2O' )
10783	IF ( av == 0 ) THEN
10784	DO i = nxl, nxr
10785	DO j = nys, nyn
10786	DO k = nzb_do, nzt_do
10787	temp_bin = 0.0_wp
10788	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
10789	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10790	ENDDO
10791	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10792	BTEST( wall_flags_0(k,j,i), 0 ) )
10793	ENDDO
10794	ENDDO
10795	ENDDO
10796	ELSE
10797	to_be_resorted => s_h2o_av
10798	DO i = nxl, nxr
10799	DO j = nys, nyn
10800	DO k = nzb_do, nzt_do
10801	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10802	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10803	ENDDO
10804	ENDDO
10805	ENDDO
10806	ENDIF
10807
10808	IF ( mode == 'xy' ) grid = 'zu'
10809
10810	CASE DEFAULT
10811	found = .FALSE.
10812	grid = 'none'
10813
10814	END SELECT
10815
10816	ENDIF
10817
10818	END SUBROUTINE salsa_data_output_2d
10819
10820	!------------------------------------------------------------------------------!
10821	!
10822	! Description:
10823	! ------------
10824	!> Subroutine defining 3D output variables
10825	!------------------------------------------------------------------------------!
10826	SUBROUTINE salsa_data_output_3d( av, variable, found, local_pf, nzb_do, nzt_do )
10827
10828	USE indices
10829
10830	USE kinds
10831
10832
10833	IMPLICIT NONE
10834
10835	CHARACTER(LEN=*), INTENT(in) :: variable !<
10836
10837	INTEGER(iwp) :: av !<
10838	INTEGER(iwp) :: char_to_int !< for converting character to integer
10839	INTEGER(iwp) :: found_index !< index of a chemical compound
10840	INTEGER(iwp) :: ib !< running index: size bins
10841	INTEGER(iwp) :: ic !< running index: mass bins
10842	INTEGER(iwp) :: i !<
10843	INTEGER(iwp) :: j !<
10844	INTEGER(iwp) :: k !<
10845	INTEGER(iwp) :: nzb_do !<
10846	INTEGER(iwp) :: nzt_do !<
10847
10848	LOGICAL :: found !<
10849
10850	REAL(wp) :: df !< For calculating LDSA: fraction of particles
10851	!< depositing in the alveolar (or tracheobronchial)
10852	!< region of the lung. Depends on the particle size
10853	REAL(wp) :: mean_d !< Particle diameter in micrometres
10854	REAL(wp) :: temp_bin !< temporary array for calculating output variables
10855
10856	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< local
10857
10858	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
10859
10860	found = .TRUE.
10861	temp_bin = 0.0_wp
10862
10863	IF ( variable(7:11) == 'N_bin' ) THEN
10864	READ( variable(12:),* ) char_to_int
10865	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10866
10867	ib = char_to_int
10868	IF ( av == 0 ) THEN
10869	DO i = nxl, nxr
10870	DO j = nys, nyn
10871	DO k = nzb_do, nzt_do
10872	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
10873	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10874	ENDDO
10875	ENDDO
10876	ENDDO
10877	ELSE
10878	DO i = nxl, nxr
10879	DO j = nys, nyn
10880	DO k = nzb_do, nzt_do
10881	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10882	BTEST( wall_flags_0(k,j,i), 0 ) )
10883	ENDDO
10884	ENDDO
10885	ENDDO
10886	ENDIF
10887	ENDIF
10888
10889	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
10890	READ( variable(12:),* ) char_to_int
10891	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
10892
10893	ib = char_to_int
10894	IF ( av == 0 ) THEN
10895	DO i = nxl, nxr
10896	DO j = nys, nyn
10897	DO k = nzb_do, nzt_do
10898	temp_bin = 0.0_wp
10899	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
10900	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10901	ENDDO
10902	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10903	BTEST( wall_flags_0(k,j,i), 0 ) )
10904	ENDDO
10905	ENDDO
10906	ENDDO
10907	ELSE
10908	DO i = nxl, nxr
10909	DO j = nys, nyn
10910	DO k = nzb_do, nzt_do
10911	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10912	BTEST( wall_flags_0(k,j,i), 0 ) )
10913	ENDDO
10914	ENDDO
10915	ENDDO
10916	ENDIF
10917	ENDIF
10918
10919	ELSE
10920	SELECT CASE ( TRIM( variable(7:) ) )
10921
10922	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10923	IF ( av == 0 ) THEN
10924	IF ( TRIM( variable(7:) ) == 'g_H2SO4') found_index = 1
10925	IF ( TRIM( variable(7:) ) == 'g_HNO3') found_index = 2
10926	IF ( TRIM( variable(7:) ) == 'g_NH3') found_index = 3
10927	IF ( TRIM( variable(7:) ) == 'g_OCNV') found_index = 4
10928	IF ( TRIM( variable(7:) ) == 'g_OCSV') found_index = 5
10929
10930	DO i = nxl, nxr
10931	DO j = nys, nyn
10932	DO k = nzb_do, nzt_do
10933	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
10934	REAL( fill_value, KIND = wp ), &
10935	BTEST( wall_flags_0(k,j,i), 0 ) )
10936	ENDDO
10937	ENDDO
10938	ENDDO
10939	ELSE
10940	!
10941	!-- 9: remove salsa_g_ from the beginning
10942	IF ( TRIM( variable(9:) ) == 'H2SO4' ) to_be_resorted => g_h2so4_av
10943	IF ( TRIM( variable(9:) ) == 'HNO3' ) to_be_resorted => g_hno3_av
10944	IF ( TRIM( variable(9:) ) == 'NH3' ) to_be_resorted => g_nh3_av
10945	IF ( TRIM( variable(9:) ) == 'OCNV' ) to_be_resorted => g_ocnv_av
10946	IF ( TRIM( variable(9:) ) == 'OCSV' ) to_be_resorted => g_ocsv_av
10947	DO i = nxl, nxr
10948	DO j = nys, nyn
10949	DO k = nzb_do, nzt_do
10950	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10951	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10952	ENDDO
10953	ENDDO
10954	ENDDO
10955	ENDIF
10956
10957	CASE ( 'LDSA' )
10958	IF ( av == 0 ) THEN
10959	DO i = nxl, nxr
10960	DO j = nys, nyn
10961	DO k = nzb_do, nzt_do
10962	temp_bin = 0.0_wp
10963	DO ib = 1, nbins_aerosol
10964	!
10965	!-- Diameter in micrometres
10966	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10967	!
10968	!-- Deposition factor: alveolar
10969	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10970	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10971	1.362_wp )**2 ) )
10972	!
10973	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10974	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
10975	aerosol_number(ib)%conc(k,j,i)
10976	ENDDO
10977	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10978	BTEST( wall_flags_0(k,j,i), 0 ) )
10979	ENDDO
10980	ENDDO
10981	ENDDO
10982	ELSE
10983	DO i = nxl, nxr
10984	DO j = nys, nyn
10985	DO k = nzb_do, nzt_do
10986	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
10987	BTEST( wall_flags_0(k,j,i), 0 ) )
10988	ENDDO
10989	ENDDO
10990	ENDDO
10991	ENDIF
10992
10993	CASE ( 'N_UFP' )
10994	IF ( av == 0 ) THEN
10995	DO i = nxl, nxr
10996	DO j = nys, nyn
10997	DO k = nzb_do, nzt_do
10998	temp_bin = 0.0_wp
10999	DO ib = 1, nbins_aerosol
11000	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11001	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11002	ENDIF
11003	ENDDO
11004	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11005	BTEST( wall_flags_0(k,j,i), 0 ) )
11006	ENDDO
11007	ENDDO
11008	ENDDO
11009	ELSE
11010	DO i = nxl, nxr
11011	DO j = nys, nyn
11012	DO k = nzb_do, nzt_do
11013	local_pf(i,j,k) = MERGE( nufp_av(k,j,i), REAL( fill_value, KIND = wp ), &
11014	BTEST( wall_flags_0(k,j,i), 0 ) )
11015	ENDDO
11016	ENDDO
11017	ENDDO
11018	ENDIF
11019
11020	CASE ( 'Ntot' )
11021	IF ( av == 0 ) THEN
11022	DO i = nxl, nxr
11023	DO j = nys, nyn
11024	DO k = nzb_do, nzt_do
11025	temp_bin = 0.0_wp
11026	DO ib = 1, nbins_aerosol
11027	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11028	ENDDO
11029	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11030	BTEST( wall_flags_0(k,j,i), 0 ) )
11031	ENDDO
11032	ENDDO
11033	ENDDO
11034	ELSE
11035	DO i = nxl, nxr
11036	DO j = nys, nyn
11037	DO k = nzb_do, nzt_do
11038	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
11039	BTEST( wall_flags_0(k,j,i), 0 ) )
11040	ENDDO
11041	ENDDO
11042	ENDDO
11043	ENDIF
11044
11045	CASE ( 'PM0.1' )
11046	IF ( av == 0 ) THEN
11047	DO i = nxl, nxr
11048	DO j = nys, nyn
11049	DO k = nzb_do, nzt_do
11050	temp_bin = 0.0_wp
11051	DO ib = 1, nbins_aerosol
11052	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11053	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11054	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11055	ENDDO
11056	ENDIF
11057	ENDDO
11058	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11059	BTEST( wall_flags_0(k,j,i), 0 ) )
11060	ENDDO
11061	ENDDO
11062	ENDDO
11063	ELSE
11064	DO i = nxl, nxr
11065	DO j = nys, nyn
11066	DO k = nzb_do, nzt_do
11067	local_pf(i,j,k) = MERGE( pm01_av(k,j,i), REAL( fill_value, KIND = wp ), &
11068	BTEST( wall_flags_0(k,j,i), 0 ) )
11069	ENDDO
11070	ENDDO
11071	ENDDO
11072	ENDIF
11073
11074	CASE ( 'PM2.5' )
11075	IF ( av == 0 ) THEN
11076	DO i = nxl, nxr
11077	DO j = nys, nyn
11078	DO k = nzb_do, nzt_do
11079	temp_bin = 0.0_wp
11080	DO ib = 1, nbins_aerosol
11081	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
11082	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11083	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11084	ENDDO
11085	ENDIF
11086	ENDDO
11087	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11088	BTEST( wall_flags_0(k,j,i), 0 ) )
11089	ENDDO
11090	ENDDO
11091	ENDDO
11092	ELSE
11093	DO i = nxl, nxr
11094	DO j = nys, nyn
11095	DO k = nzb_do, nzt_do
11096	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
11097	BTEST( wall_flags_0(k,j,i), 0 ) )
11098	ENDDO
11099	ENDDO
11100	ENDDO
11101	ENDIF
11102
11103	CASE ( 'PM10' )
11104	IF ( av == 0 ) THEN
11105	DO i = nxl, nxr
11106	DO j = nys, nyn
11107	DO k = nzb_do, nzt_do
11108	temp_bin = 0.0_wp
11109	DO ib = 1, nbins_aerosol
11110	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
11111	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11112	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11113	ENDDO
11114	ENDIF
11115	ENDDO
11116	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11117	BTEST( wall_flags_0(k,j,i), 0 ) )
11118	ENDDO
11119	ENDDO
11120	ENDDO
11121	ELSE
11122	DO i = nxl, nxr
11123	DO j = nys, nyn
11124	DO k = nzb_do, nzt_do
11125	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
11126	BTEST( wall_flags_0(k,j,i), 0 ) )
11127	ENDDO
11128	ENDDO
11129	ENDDO
11130	ENDIF
11131
11132	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
11133	IF ( is_used( prtcl, TRIM( variable(9:) ) ) ) THEN ! 9: remove salsa_s_
11134	found_index = get_index( prtcl, TRIM( variable(9:) ) )
11135	IF ( av == 0 ) THEN
11136	DO i = nxl, nxr
11137	DO j = nys, nyn
11138	DO k = nzb_do, nzt_do
11139	temp_bin = 0.0_wp
11140	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11141	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11142	ENDDO
11143	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11144	BTEST( wall_flags_0(k,j,i), 0 ) )
11145	ENDDO
11146	ENDDO
11147	ENDDO
11148	ELSE
11149	!
11150	!-- 9: remove salsa_s_ from the beginning
11151	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
11152	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
11153	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
11154	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
11155	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
11156	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
11157	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
11158	DO i = nxl, nxr
11159	DO j = nys, nyn
11160	DO k = nzb_do, nzt_do
11161	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11162	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11163	ENDDO
11164	ENDDO
11165	ENDDO
11166	ENDIF
11167	ENDIF
11168
11169	CASE ( 's_H2O' )
11170	found_index = get_index( prtcl, 'H2O' )
11171	IF ( av == 0 ) THEN
11172	DO i = nxl, nxr
11173	DO j = nys, nyn
11174	DO k = nzb_do, nzt_do
11175	temp_bin = 0.0_wp
11176	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11177	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11178	ENDDO
11179	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
11180	BTEST( wall_flags_0(k,j,i), 0 ) )
11181	ENDDO
11182	ENDDO
11183	ENDDO
11184	ELSE
11185	to_be_resorted => s_h2o_av
11186	DO i = nxl, nxr
11187	DO j = nys, nyn
11188	DO k = nzb_do, nzt_do
11189	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
11190	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
11191	ENDDO
11192	ENDDO
11193	ENDDO
11194	ENDIF
11195
11196	CASE DEFAULT
11197	found = .FALSE.
11198
11199	END SELECT
11200	ENDIF
11201
11202	END SUBROUTINE salsa_data_output_3d
11203
11204	!------------------------------------------------------------------------------!
11205	!
11206	! Description:
11207	! ------------
11208	!> Subroutine defining mask output variables
11209	!------------------------------------------------------------------------------!
11210	SUBROUTINE salsa_data_output_mask( av, variable, found, local_pf, mid )
11211
11212	USE arrays_3d, &
11213	ONLY: tend
11214
11215	USE control_parameters, &
11216	ONLY: mask_i, mask_j, mask_k, mask_size_l, mask_surface, nz_do3d
11217
11218	IMPLICIT NONE
11219
11220	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grid
11221	CHARACTER(LEN=*) :: variable !<
11222	CHARACTER(LEN=7) :: vari !< trimmed format of variable
11223
11224	INTEGER(iwp) :: av !<
11225	INTEGER(iwp) :: char_to_int !< for converting character to integer
11226	INTEGER(iwp) :: found_index !< index of a chemical compound
11227	INTEGER(iwp) :: ib !< loop index for aerosol size number bins
11228	INTEGER(iwp) :: ic !< loop index for chemical components
11229	INTEGER(iwp) :: i !< loop index in x-direction
11230	INTEGER(iwp) :: j !< loop index in y-direction
11231	INTEGER(iwp) :: k !< loop index in z-direction
11232	INTEGER(iwp) :: im !< loop index for masked variables
11233	INTEGER(iwp) :: jm !< loop index for masked variables
11234	INTEGER(iwp) :: kk !< loop index for masked output in z-direction
11235	INTEGER(iwp) :: mid !< masked output running index
11236	INTEGER(iwp) :: ktt !< k index of highest terrain surface
11237
11238	LOGICAL :: found !<
11239	LOGICAL :: resorted !<
11240
11241	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
11242	!< (or tracheobronchial) region of the lung. Depends on the particle size
11243	REAL(wp) :: mean_d !< Particle diameter in micrometres
11244	REAL(wp) :: temp_bin !< temporary array for calculating output variables
11245
11246	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: local_pf !<
11247
11248	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg), TARGET :: temp_array !< temporary array
11249
11250	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
11251
11252	found = .TRUE.
11253	resorted = .FALSE.
11254	grid = 's'
11255	temp_array = 0.0_wp
11256	temp_bin = 0.0_wp
11257
11258	IF ( variable(7:11) == 'N_bin' ) THEN
11259	READ( variable(12:),* ) char_to_int
11260	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11261	ib = char_to_int
11262	IF ( av == 0 ) THEN
11263	IF ( .NOT. mask_surface(mid) ) THEN
11264	DO i = 1, mask_size_l(mid,1)
11265	DO j = 1, mask_size_l(mid,2)
11266	DO k = 1, mask_size_l(mid,3)
11267	local_pf(i,j,k) = aerosol_number(ib)%conc( mask_k(mid,k), mask_j(mid,j), &
11268	mask_i(mid,i) )
11269	ENDDO
11270	ENDDO
11271	ENDDO
11272	ELSE
11273	DO i = 1, mask_size_l(mid,1)
11274	DO j = 1, mask_size_l(mid,2)
11275	!
11276	!-- Get k index of the highest terraing surface
11277	im = mask_i(mid,i)
11278	jm = mask_j(mid,j)
11279	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11280	DO k = 1, mask_size_l(mid,3)
11281	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11282	!
11283	!-- Set value if not in building
11284	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11285	local_pf(i,j,k) = fill_value
11286	ELSE
11287	local_pf(i,j,k) = aerosol_number(ib)%conc(kk,jm,im)
11288	ENDIF
11289	ENDDO
11290	ENDDO
11291	ENDDO
11292	ENDIF
11293	resorted = .TRUE.
11294	ELSE
11295	temp_array = nbins_av(:,:,:,ib)
11296	to_be_resorted => temp_array
11297	ENDIF
11298	ENDIF
11299
11300	ELSEIF ( variable(7:11) == 'm_bin' ) THEN
11301
11302	READ( variable(12:),* ) char_to_int
11303	IF ( char_to_int >= 1 .AND. char_to_int <= SUM( nbin ) ) THEN
11304
11305	ib = char_to_int
11306	IF ( av == 0 ) THEN
11307	DO i = nxl, nxr
11308	DO j = nys, nyn
11309	DO k = nzb, nz_do3d
11310	temp_bin = 0.0_wp
11311	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
11312	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11313	ENDDO
11314	tend(k,j,i) = temp_bin
11315	ENDDO
11316	ENDDO
11317	ENDDO
11318	IF ( .NOT. mask_surface(mid) ) THEN
11319	DO i = 1, mask_size_l(mid,1)
11320	DO j = 1, mask_size_l(mid,2)
11321	DO k = 1, mask_size_l(mid,3)
11322	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11323	ENDDO
11324	ENDDO
11325	ENDDO
11326	ELSE
11327	DO i = 1, mask_size_l(mid,1)
11328	DO j = 1, mask_size_l(mid,2)
11329	!
11330	!-- Get k index of the highest terraing surface
11331	im = mask_i(mid,i)
11332	jm = mask_j(mid,j)
11333	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11334	DO k = 1, mask_size_l(mid,3)
11335	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11336	!
11337	!-- Set value if not in building
11338	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11339	local_pf(i,j,k) = fill_value
11340	ELSE
11341	local_pf(i,j,k) = tend(kk,jm,im)
11342	ENDIF
11343	ENDDO
11344	ENDDO
11345	ENDDO
11346	ENDIF
11347	resorted = .TRUE.
11348	ELSE
11349	temp_array = mbins_av(:,:,:,ib)
11350	to_be_resorted => temp_array
11351	ENDIF
11352	ENDIF
11353
11354	ELSE
11355	SELECT CASE ( TRIM( variable(7:) ) )
11356
11357	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
11358	vari = TRIM( variable(7:) )
11359	IF ( av == 0 ) THEN
11360	IF ( vari == 'g_H2SO4') to_be_resorted => salsa_gas(1)%conc
11361	IF ( vari == 'g_HNO3') to_be_resorted => salsa_gas(2)%conc
11362	IF ( vari == 'g_NH3') to_be_resorted => salsa_gas(3)%conc
11363	IF ( vari == 'g_OCNV') to_be_resorted => salsa_gas(4)%conc
11364	IF ( vari == 'g_OCSV') to_be_resorted => salsa_gas(5)%conc
11365	ELSE
11366	IF ( vari == 'g_H2SO4') to_be_resorted => g_h2so4_av
11367	IF ( vari == 'g_HNO3') to_be_resorted => g_hno3_av
11368	IF ( vari == 'g_NH3') to_be_resorted => g_nh3_av
11369	IF ( vari == 'g_OCNV') to_be_resorted => g_ocnv_av
11370	IF ( vari == 'g_OCSV') to_be_resorted => g_ocsv_av
11371	ENDIF
11372
11373	CASE ( 'LDSA' )
11374	IF ( av == 0 ) THEN
11375	DO i = nxl, nxr
11376	DO j = nys, nyn
11377	DO k = nzb, nz_do3d
11378	temp_bin = 0.0_wp
11379	DO ib = 1, nbins_aerosol
11380	!
11381	!-- Diameter in micrometres
11382	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
11383	!
11384	!-- Deposition factor: alveolar
11385	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
11386	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
11387	1.362_wp )**2 ) )
11388	!
11389	!-- Lung-deposited surface area LDSA (units mum2/cm3)
11390	temp_bin = temp_bin + pi * mean_d*2 df * 1.0E-6_wp * &
11391	aerosol_number(ib)%conc(k,j,i)
11392	ENDDO
11393	tend(k,j,i) = temp_bin
11394	ENDDO
11395	ENDDO
11396	ENDDO
11397	IF ( .NOT. mask_surface(mid) ) THEN
11398	DO i = 1, mask_size_l(mid,1)
11399	DO j = 1, mask_size_l(mid,2)
11400	DO k = 1, mask_size_l(mid,3)
11401	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11402	ENDDO
11403	ENDDO
11404	ENDDO
11405	ELSE
11406	DO i = 1, mask_size_l(mid,1)
11407	DO j = 1, mask_size_l(mid,2)
11408	!
11409	!-- Get k index of the highest terraing surface
11410	im = mask_i(mid,i)
11411	jm = mask_j(mid,j)
11412	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11413	DO k = 1, mask_size_l(mid,3)
11414	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11415	!
11416	!-- Set value if not in building
11417	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11418	local_pf(i,j,k) = fill_value
11419	ELSE
11420	local_pf(i,j,k) = tend(kk,jm,im)
11421	ENDIF
11422	ENDDO
11423	ENDDO
11424	ENDDO
11425	ENDIF
11426	resorted = .TRUE.
11427	ELSE
11428	to_be_resorted => ldsa_av
11429	ENDIF
11430
11431	CASE ( 'N_UFP' )
11432	IF ( av == 0 ) THEN
11433	DO i = nxl, nxr
11434	DO j = nys, nyn
11435	DO k = nzb, nz_do3d
11436	temp_bin = 0.0_wp
11437	DO ib = 1, nbins_aerosol
11438	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11439	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11440	ENDIF
11441	ENDDO
11442	tend(k,j,i) = temp_bin
11443	ENDDO
11444	ENDDO
11445	ENDDO
11446	IF ( .NOT. mask_surface(mid) ) THEN
11447	DO i = 1, mask_size_l(mid,1)
11448	DO j = 1, mask_size_l(mid,2)
11449	DO k = 1, mask_size_l(mid,3)
11450	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11451	ENDDO
11452	ENDDO
11453	ENDDO
11454	ELSE
11455	DO i = 1, mask_size_l(mid,1)
11456	DO j = 1, mask_size_l(mid,2)
11457	!
11458	!-- Get k index of the highest terraing surface
11459	im = mask_i(mid,i)
11460	jm = mask_j(mid,j)
11461	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11462	DO k = 1, mask_size_l(mid,3)
11463	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11464	!
11465	!-- Set value if not in building
11466	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11467	local_pf(i,j,k) = fill_value
11468	ELSE
11469	local_pf(i,j,k) = tend(kk,jm,im)
11470	ENDIF
11471	ENDDO
11472	ENDDO
11473	ENDDO
11474	ENDIF
11475	resorted = .TRUE.
11476	ELSE
11477	to_be_resorted => nufp_av
11478	ENDIF
11479
11480	CASE ( 'Ntot' )
11481	IF ( av == 0 ) THEN
11482	DO i = nxl, nxr
11483	DO j = nys, nyn
11484	DO k = nzb, nz_do3d
11485	temp_bin = 0.0_wp
11486	DO ib = 1, nbins_aerosol
11487	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
11488	ENDDO
11489	tend(k,j,i) = temp_bin
11490	ENDDO
11491	ENDDO
11492	ENDDO
11493	IF ( .NOT. mask_surface(mid) ) THEN
11494	DO i = 1, mask_size_l(mid,1)
11495	DO j = 1, mask_size_l(mid,2)
11496	DO k = 1, mask_size_l(mid,3)
11497	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11498	ENDDO
11499	ENDDO
11500	ENDDO
11501	ELSE
11502	DO i = 1, mask_size_l(mid,1)
11503	DO j = 1, mask_size_l(mid,2)
11504	!
11505	!-- Get k index of the highest terraing surface
11506	im = mask_i(mid,i)
11507	jm = mask_j(mid,j)
11508	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11509	DO k = 1, mask_size_l(mid,3)
11510	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11511	!
11512	!-- Set value if not in building
11513	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11514	local_pf(i,j,k) = fill_value
11515	ELSE
11516	local_pf(i,j,k) = tend(kk,jm,im)
11517	ENDIF
11518	ENDDO
11519	ENDDO
11520	ENDDO
11521	ENDIF
11522	resorted = .TRUE.
11523	ELSE
11524	to_be_resorted => ntot_av
11525	ENDIF
11526
11527	CASE ( 'PM0.1' )
11528	IF ( av == 0 ) THEN
11529	DO i = nxl, nxr
11530	DO j = nys, nyn
11531	DO k = nzb, nz_do3d
11532	temp_bin = 0.0_wp
11533	DO ib = 1, nbins_aerosol
11534	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 0.1E-6_wp ) THEN
11535	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11536	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11537	ENDDO
11538	ENDIF
11539	ENDDO
11540	tend(k,j,i) = temp_bin
11541	ENDDO
11542	ENDDO
11543	ENDDO
11544	IF ( .NOT. mask_surface(mid) ) THEN
11545	DO i = 1, mask_size_l(mid,1)
11546	DO j = 1, mask_size_l(mid,2)
11547	DO k = 1, mask_size_l(mid,3)
11548	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11549	ENDDO
11550	ENDDO
11551	ENDDO
11552	ELSE
11553	DO i = 1, mask_size_l(mid,1)
11554	DO j = 1, mask_size_l(mid,2)
11555	!
11556	!-- Get k index of the highest terraing surface
11557	im = mask_i(mid,i)
11558	jm = mask_j(mid,j)
11559	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11560	DO k = 1, mask_size_l(mid,3)
11561	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11562	!
11563	!-- Set value if not in building
11564	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11565	local_pf(i,j,k) = fill_value
11566	ELSE
11567	local_pf(i,j,k) = tend(kk,jm,im)
11568	ENDIF
11569	ENDDO
11570	ENDDO
11571	ENDDO
11572	ENDIF
11573	resorted = .TRUE.
11574	ELSE
11575	to_be_resorted => pm01_av
11576	ENDIF
11577
11578	CASE ( 'PM2.5' )
11579	IF ( av == 0 ) THEN
11580	DO i = nxl, nxr
11581	DO j = nys, nyn
11582	DO k = nzb, nz_do3d
11583	temp_bin = 0.0_wp
11584	DO ib = 1, nbins_aerosol
11585	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
11586	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11587	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11588	ENDDO
11589	ENDIF
11590	ENDDO
11591	tend(k,j,i) = temp_bin
11592	ENDDO
11593	ENDDO
11594	ENDDO
11595	IF ( .NOT. mask_surface(mid) ) THEN
11596	DO i = 1, mask_size_l(mid,1)
11597	DO j = 1, mask_size_l(mid,2)
11598	DO k = 1, mask_size_l(mid,3)
11599	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11600	ENDDO
11601	ENDDO
11602	ENDDO
11603	ELSE
11604	DO i = 1, mask_size_l(mid,1)
11605	DO j = 1, mask_size_l(mid,2)
11606	!
11607	!-- Get k index of the highest terraing surface
11608	im = mask_i(mid,i)
11609	jm = mask_j(mid,j)
11610	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11611	DO k = 1, mask_size_l(mid,3)
11612	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11613	!
11614	!-- Set value if not in building
11615	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11616	local_pf(i,j,k) = fill_value
11617	ELSE
11618	local_pf(i,j,k) = tend(kk,jm,im)
11619	ENDIF
11620	ENDDO
11621	ENDDO
11622	ENDDO
11623	ENDIF
11624	resorted = .TRUE.
11625	ELSE
11626	to_be_resorted => pm25_av
11627	ENDIF
11628
11629	CASE ( 'PM10' )
11630	IF ( av == 0 ) THEN
11631	DO i = nxl, nxr
11632	DO j = nys, nyn
11633	DO k = nzb, nz_do3d
11634	temp_bin = 0.0_wp
11635	DO ib = 1, nbins_aerosol
11636	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
11637	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
11638	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11639	ENDDO
11640	ENDIF
11641	ENDDO
11642	tend(k,j,i) = temp_bin
11643	ENDDO
11644	ENDDO
11645	ENDDO
11646	IF ( .NOT. mask_surface(mid) ) THEN
11647	DO i = 1, mask_size_l(mid,1)
11648	DO j = 1, mask_size_l(mid,2)
11649	DO k = 1, mask_size_l(mid,3)
11650	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11651	ENDDO
11652	ENDDO
11653	ENDDO
11654	ELSE
11655	DO i = 1, mask_size_l(mid,1)
11656	DO j = 1, mask_size_l(mid,2)
11657	!
11658	!-- Get k index of the highest terraing surface
11659	im = mask_i(mid,i)
11660	jm = mask_j(mid,j)
11661	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11662	DO k = 1, mask_size_l(mid,3)
11663	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11664	!
11665	!-- Set value if not in building
11666	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11667	local_pf(i,j,k) = fill_value
11668	ELSE
11669	local_pf(i,j,k) = tend(kk,jm,im)
11670	ENDIF
11671	ENDDO
11672	ENDDO
11673	ENDDO
11674	ENDIF
11675	resorted = .TRUE.
11676	ELSE
11677	to_be_resorted => pm10_av
11678	ENDIF
11679
11680	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
11681	IF ( av == 0 ) THEN
11682	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
11683	found_index = get_index( prtcl, TRIM( variable(3:) ) )
11684	DO i = nxl, nxr
11685	DO j = nys, nyn
11686	DO k = nzb, nz_do3d
11687	temp_bin = 0.0_wp
11688	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11689	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11690	ENDDO
11691	tend(k,j,i) = temp_bin
11692	ENDDO
11693	ENDDO
11694	ENDDO
11695	ELSE
11696	tend = 0.0_wp
11697	ENDIF
11698	IF ( .NOT. mask_surface(mid) ) THEN
11699	DO i = 1, mask_size_l(mid,1)
11700	DO j = 1, mask_size_l(mid,2)
11701	DO k = 1, mask_size_l(mid,3)
11702	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11703	ENDDO
11704	ENDDO
11705	ENDDO
11706	ELSE
11707	DO i = 1, mask_size_l(mid,1)
11708	DO j = 1, mask_size_l(mid,2)
11709	!
11710	!-- Get k index of the highest terraing surface
11711	im = mask_i(mid,i)
11712	jm = mask_j(mid,j)
11713	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11714	DO k = 1, mask_size_l(mid,3)
11715	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11716	!
11717	!-- Set value if not in building
11718	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11719	local_pf(i,j,k) = fill_value
11720	ELSE
11721	local_pf(i,j,k) = tend(kk,jm,im)
11722	ENDIF
11723	ENDDO
11724	ENDDO
11725	ENDDO
11726	ENDIF
11727	resorted = .TRUE.
11728	ELSE
11729	!
11730	!-- 9: remove salsa_s_ from the beginning
11731	IF ( TRIM( variable(9:) ) == 'BC' ) to_be_resorted => s_bc_av
11732	IF ( TRIM( variable(9:) ) == 'DU' ) to_be_resorted => s_du_av
11733	IF ( TRIM( variable(9:) ) == 'NH' ) to_be_resorted => s_nh_av
11734	IF ( TRIM( variable(9:) ) == 'NO' ) to_be_resorted => s_no_av
11735	IF ( TRIM( variable(9:) ) == 'OC' ) to_be_resorted => s_oc_av
11736	IF ( TRIM( variable(9:) ) == 'SO4' ) to_be_resorted => s_so4_av
11737	IF ( TRIM( variable(9:) ) == 'SS' ) to_be_resorted => s_ss_av
11738	ENDIF
11739
11740	CASE ( 's_H2O' )
11741	IF ( av == 0 ) THEN
11742	found_index = get_index( prtcl, 'H2O' )
11743	DO i = nxl, nxr
11744	DO j = nys, nyn
11745	DO k = nzb, nz_do3d
11746	temp_bin = 0.0_wp
11747	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
11748	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
11749	ENDDO
11750	tend(k,j,i) = temp_bin
11751	ENDDO
11752	ENDDO
11753	ENDDO
11754	IF ( .NOT. mask_surface(mid) ) THEN
11755	DO i = 1, mask_size_l(mid,1)
11756	DO j = 1, mask_size_l(mid,2)
11757	DO k = 1, mask_size_l(mid,3)
11758	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11759	ENDDO
11760	ENDDO
11761	ENDDO
11762	ELSE
11763	DO i = 1, mask_size_l(mid,1)
11764	DO j = 1, mask_size_l(mid,2)
11765	!
11766	!-- Get k index of the highest terraing surface
11767	im = mask_i(mid,i)
11768	jm = mask_j(mid,j)
11769	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11770	DO k = 1, mask_size_l(mid,3)
11771	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11772	!
11773	!-- Set value if not in building
11774	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11775	local_pf(i,j,k) = fill_value
11776	ELSE
11777	local_pf(i,j,k) = tend(kk,jm,im)
11778	ENDIF
11779	ENDDO
11780	ENDDO
11781	ENDDO
11782	ENDIF
11783	resorted = .TRUE.
11784	ELSE
11785	to_be_resorted => s_h2o_av
11786	ENDIF
11787
11788	CASE DEFAULT
11789	found = .FALSE.
11790
11791	END SELECT
11792	ENDIF
11793
11794	IF ( found .AND. .NOT. resorted ) THEN
11795	IF ( .NOT. mask_surface(mid) ) THEN
11796	!
11797	!-- Default masked output
11798	DO i = 1, mask_size_l(mid,1)
11799	DO j = 1, mask_size_l(mid,2)
11800	DO k = 1, mask_size_l(mid,3)
11801	local_pf(i,j,k) = to_be_resorted( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
11802	ENDDO
11803	ENDDO
11804	ENDDO
11805	ELSE
11806	!
11807	!-- Terrain-following masked output
11808	DO i = 1, mask_size_l(mid,1)
11809	DO j = 1, mask_size_l(mid,2)
11810	!-- Get k index of the highest terraing surface
11811	im = mask_i(mid,i)
11812	jm = mask_j(mid,j)
11813	ktt = MINLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,jm,im), 5 )), DIM = 1 ) - 1
11814	DO k = 1, mask_size_l(mid,3)
11815	kk = MIN( ktt+mask_k(mid,k), nzt+1 )
11816	!-- Set value if not in building
11817	IF ( BTEST( wall_flags_0(kk,jm,im), 6 ) ) THEN
11818	local_pf(i,j,k) = fill_value
11819	ELSE
11820	local_pf(i,j,k) = to_be_resorted(kk,jm,im)
11821	ENDIF
11822	ENDDO
11823	ENDDO
11824	ENDDO
11825	ENDIF
11826	ENDIF
11827
11828	END SUBROUTINE salsa_data_output_mask
11829
11830	!------------------------------------------------------------------------------!
11831	! Description:
11832	! ------------
11833	!> Creates index tables for different (aerosol) components
11834	!------------------------------------------------------------------------------!
11835	SUBROUTINE component_index_constructor( self, ncomp, nlist, listcomp )
11836
11837	IMPLICIT NONE
11838
11839	INTEGER(iwp) :: ii !<
11840	INTEGER(iwp) :: jj !<
11841
11842	INTEGER(iwp), INTENT(in) :: nlist ! < Maximum number of components
11843
11844	INTEGER(iwp), INTENT(inout) :: ncomp !< Number of components
11845
11846	CHARACTER(LEN=3), INTENT(in) :: listcomp(nlist) !< List cof component names
11847
11848	TYPE(component_index), INTENT(inout) :: self !< Object containing the indices of different
11849	!< aerosol components
11850
11851	ncomp = 0
11852
11853	DO WHILE ( listcomp(ncomp+1) /= ' ' .AND. ncomp < nlist )
11854	ncomp = ncomp + 1
11855	ENDDO
11856
11857	self%ncomp = ncomp
11858	ALLOCATE( self%ind(ncomp), self%comp(ncomp) )
11859
11860	DO ii = 1, ncomp
11861	self%ind(ii) = ii
11862	ENDDO
11863
11864	jj = 1
11865	DO ii = 1, nlist
11866	IF ( listcomp(ii) == '') CYCLE
11867	self%comp(jj) = listcomp(ii)
11868	jj = jj + 1
11869	ENDDO
11870
11871	END SUBROUTINE component_index_constructor
11872
11873	!------------------------------------------------------------------------------!
11874	! Description:
11875	! ------------
11876	!> Gives the index of a component in the component list
11877	!------------------------------------------------------------------------------!
11878	INTEGER FUNCTION get_index( self, incomp )
11879
11880	IMPLICIT NONE
11881
11882	CHARACTER(LEN=*), INTENT(in) :: incomp !< Component name
11883
11884	INTEGER(iwp) :: ii !< index
11885
11886	TYPE(component_index), INTENT(in) :: self !< Object containing the indices of different
11887	!< aerosol components
11888	IF ( ANY( self%comp == incomp ) ) THEN
11889	ii = 1
11890	DO WHILE ( (self%comp(ii) /= incomp) )
11891	ii = ii + 1
11892	ENDDO
11893	get_index = ii
11894	ELSEIF ( incomp == 'H2O' ) THEN
11895	get_index = self%ncomp + 1
11896	ELSE
11897	WRITE( message_string, * ) 'Incorrect component name given!'
11898	CALL message( 'get_index', 'PA0591', 1, 2, 0, 6, 0 )
11899	ENDIF
11900
11901	END FUNCTION get_index
11902
11903	!------------------------------------------------------------------------------!
11904	! Description:
11905	! ------------
11906	!> Tells if the (aerosol) component is being used in the simulation
11907	!------------------------------------------------------------------------------!
11908	LOGICAL FUNCTION is_used( self, icomp )
11909
11910	IMPLICIT NONE
11911
11912	CHARACTER(LEN=*), INTENT(in) :: icomp !< Component name
11913
11914	TYPE(component_index), INTENT(in) :: self !< Object containing the indices of different
11915	!< aerosol components
11916
11917	IF ( ANY(self%comp == icomp) ) THEN
11918	is_used = .TRUE.
11919	ELSE
11920	is_used = .FALSE.
11921	ENDIF
11922
11923	END FUNCTION
11924
11925	END MODULE salsa_mod

Note: See TracBrowser for help on using the repository browser.

Download in other formats:

| Impressum | ©Leibniz Universität Hannover |