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source: palm/trunk/SOURCE/salsa_mod.f90 @ 3872

Last change on this file since 3872 was 3872, checked in by knoop, 6 years ago
Including last commit, salsa dependency for advec_ws removed
Property svn:keywords set to `Id`
File size: 475.9 KB

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1	!> @file salsa_mod.f90
2	!--------------------------------------------------------------------------------!
3	! This file is part of PALM-4U.
4	!
5	! PALM-4U is free software: you can redistribute it and/or modify it under the
6	! terms of the GNU General Public License as published by the Free Software
7	! Foundation, either version 3 of the License, or (at your option) any later
8	! version.
9	!
10	! PALM-4U is distributed in the hope that it will be useful, but WITHOUT ANY
11	! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
12	! A PARTICULAR PURPOSE. See the GNU General Public License for more details.
13	!
14	! You should have received a copy of the GNU General Public License along with
15	! PALM. If not, see <http://www.gnu.org/licenses/>.
16	!
17	! Copyright 2018-2018 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 3872 2019-04-08 15:03:06Z knoop $
28	! Introduced salsa_actions module interface
29	!
30	! 3871 2019-04-08 14:38:39Z knoop
31	! Major changes in formatting, performance and data input structure (see branch
32	! the history for details)
33	! - Time-dependent emissions enabled: lod=1 for yearly PM emissions that are
34	! normalised depending on the time, and lod=2 for preprocessed emissions
35	! (similar to the chemistry module).
36	! - Additionally, 'uniform' emissions allowed. This emission is set constant on
37	! all horisontal upward facing surfaces and it is created based on parameters
38	! surface_aerosol_flux, aerosol_flux_dpg/sigmag/mass_fracs_a/mass_fracs_b.
39	! - All emissions are now implemented as surface fluxes! No 3D sources anymore.
40	! - Update the emission information by calling salsa_emission_update if
41	! skip_time_do_salsa >= time_since_reference_point and
42	! next_aero_emission_update <= time_since_reference_point
43	! - Aerosol background concentrations read from PIDS_DYNAMIC. The vertical grid
44	! must match the one applied in the model.
45	! - Gas emissions and background concentrations can be also read in in salsa_mod
46	! if the chemistry module is not applied.
47	! - In deposition, information on the land use type can be now imported from
48	! the land use model
49	! - Use SI units in PARIN, i.e. n_lognorm given in #/m3 and dpg in metres.
50	! - Apply 100 character line limit
51	! - Change all variable names from capital to lowercase letter
52	! - Change real exponents to integer if possible. If not, precalculate the value
53	! value of exponent
54	! - Rename in1a to start_subrange_1a, fn2a to end_subrange_1a etc.
55	! - Rename nbins --> nbins_aerosol, ncc_tot --> ncomponents_mass and ngast -->
56	! ngases_salsa
57	! - Rename ibc to index_bc, idu to index_du etc.
58	! - Renamed loop indices b, c and sg to ib, ic and ig
59	! - run_salsa subroutine removed
60	! - Corrected a bud in salsa_driver: falsely applied ino instead of inh
61	! - Call salsa_tendency within salsa_prognostic_equations which is called in
62	! module_interface_mod instead of prognostic_equations_mod
63	! - Removed tailing white spaces and unused variables
64	! - Change error message to start by PA instead of SA
65	!
66	! 3833 2019-03-28 15:04:04Z forkel
67	! added USE chem_gasphase_mod for nvar, nspec and spc_names
68	!
69	! 3787 2019-03-07 08:43:54Z raasch
70	! unused variables removed
71	!
72	! 3780 2019-03-05 11:19:45Z forkel
73	! unused variable for file index removed from rrd-subroutines parameter list
74	!
75	! 3685 2019-01-21 01:02:11Z knoop
76	! Some interface calls moved to module_interface + cleanup
77	!
78	! 3655 2019-01-07 16:51:22Z knoop
79	! Implementation of the PALM module interface
80	!
81	! 3636 2018-12-19 13:48:34Z raasch
82	! nopointer option removed
83	!
84	! 3630 2018-12-17 11:04:17Z knoop
85	! - Moved the control parameter "salsa" from salsa_mod.f90 to control_parameters
86	! - Updated salsa_rrd_local and salsa_wrd_local
87	! - Add target attribute
88	! - Revise initialization in case of restarts
89	! - Revise masked data output
90	!
91	! 3582 2018-11-29 19:16:36Z suehring
92	! missing comma separator inserted
93	!
94	! 3483 2018-11-02 14:19:26Z raasch
95	! bugfix: directives added to allow compilation without netCDF
96	!
97	! 3481 2018-11-02 09:14:13Z raasch
98	! temporary variable cc introduced to circumvent a possible Intel18 compiler bug
99	! related to contiguous/non-contguous pointer/target attributes
100	!
101	! 3473 2018-10-30 20:50:15Z suehring
102	! NetCDF input routine renamed
103	!
104	! 3467 2018-10-30 19:05:21Z suehring
105	! Initial revision
106	!
107	! 3412 2018-10-24 07:25:57Z monakurppa
108	!
109	! Authors:
110	! --------
111	! @author Mona Kurppa (University of Helsinki)
112	!
113	!
114	! Description:
115	! ------------
116	!> Sectional aerosol module for large scale applications SALSA
117	!> (Kokkola et al., 2008, ACP 8, 2469-2483). Solves the aerosol number and mass
118	!> concentration as well as chemical composition. Includes aerosol dynamic
119	!> processes: nucleation, condensation/evaporation of vapours, coagulation and
120	!> deposition on tree leaves, ground and roofs.
121	!> Implementation is based on formulations implemented in UCLALES-SALSA except
122	!> for deposition which is based on parametrisations by Zhang et al. (2001,
123	!> Atmos. Environ. 35, 549-560) or Petroff&Zhang (2010, Geosci. Model Dev. 3,
124	!> 753-769)
125	!>
126	!> @todo Apply information from emission_stack_height to lift emission sources
127	!> @todo emission mode "parameterized", i.e. based on street type
128	!------------------------------------------------------------------------------!
129	MODULE salsa_mod
130
131	USE basic_constants_and_equations_mod, &
132	ONLY: c_p, g, p_0, pi, r_d
133
134	USE chem_gasphase_mod, &
135	ONLY: nspec, nvar, spc_names
136
137	USE chemistry_model_mod, &
138	ONLY: chem_species
139
140	USE chem_modules, &
141	ONLY: call_chem_at_all_substeps, chem_gasphase_on
142
143	USE control_parameters
144
145	USE indices, &
146	ONLY: nbgp, nx, nxl, nxlg, nxr, nxrg, ny, nyn, nyng, nys, nysg, nzb, &
147	nzb_s_inner, nz, nzt, wall_flags_0
148
149	USE kinds
150
151	USE pegrid
152
153	USE salsa_util_mod
154
155	USE statistics, &
156	ONLY: sums_salsa_ws_l
157
158	IMPLICIT NONE
159	!
160	!-- SALSA constants:
161	!
162	!-- Local constants:
163	INTEGER(iwp), PARAMETER :: luc_urban = 8 !< default landuse type for urban: use desert!
164	INTEGER(iwp), PARAMETER :: ngases_salsa = 5 !< total number of gaseous tracers:
165	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV
166	!< (non-volatile OC), 5 = OCSV (semi-volatile)
167	INTEGER(iwp), PARAMETER :: nmod = 7 !< number of modes for initialising the aerosol size
168	!< distribution
169	INTEGER(iwp), PARAMETER :: nreg = 2 !< Number of main size subranges
170	INTEGER(iwp), PARAMETER :: maxspec = 7 !< Max. number of aerosol species
171	INTEGER(iwp), PARAMETER :: season = 1 !< For dry depostion by Zhang et al.: 1 = summer,
172	!< 2 = autumn (no harvest yet), 3 = late autumn
173	!< (already frost), 4 = winter, 5 = transitional spring
174	!
175	!-- Universal constants
176	REAL(wp), PARAMETER :: abo = 1.380662E-23_wp !< Boltzmann constant (J/K)
177	REAL(wp), PARAMETER :: alv = 2.260E+6_wp !< latent heat for H2O
178	!< vaporisation (J/kg)
179	REAL(wp), PARAMETER :: alv_d_rv = 4896.96865_wp !< alv / rv
180	REAL(wp), PARAMETER :: am_airmol = 4.8096E-26_wp !< Average mass of one air
181	!< molecule (Jacobson,
182	!< 2005, Eq. 2.3)
183	REAL(wp), PARAMETER :: api6 = 0.5235988_wp !< pi / 6
184	REAL(wp), PARAMETER :: argas = 8.314409_wp !< Gas constant (J/(mol K))
185	REAL(wp), PARAMETER :: argas_d_cpd = 8.281283865E-3_wp !< argas per cpd
186	REAL(wp), PARAMETER :: avo = 6.02214E+23_wp !< Avogadro constant (1/mol)
187	REAL(wp), PARAMETER :: d_sa = 5.539376964394570E-10_wp !< diameter of condensing sulphuric
188	!< acid molecule (m)
189	REAL(wp), PARAMETER :: for_ppm_to_nconc = 7.243016311E+16_wp !< ppm * avo / R (K/(Pa*m3))
190	REAL(wp), PARAMETER :: epsoc = 0.15_wp !< water uptake of organic
191	!< material
192	REAL(wp), PARAMETER :: mclim = 1.0E-23_wp !< mass concentration min limit (kg/m3)
193	REAL(wp), PARAMETER :: n3 = 158.79_wp !< Number of H2SO4 molecules in 3 nm cluster
194	!< if d_sa=5.54e-10m
195	REAL(wp), PARAMETER :: nclim = 1.0_wp !< number concentration min limit (#/m3)
196	REAL(wp), PARAMETER :: surfw0 = 0.073_wp !< surface tension of water at 293 K (J/m2)
197	!
198	!-- Molar masses in kg/mol
199	REAL(wp), PARAMETER :: ambc = 12.0E-3_wp !< black carbon (BC)
200	REAL(wp), PARAMETER :: amdair = 28.970E-3_wp !< dry air
201	REAL(wp), PARAMETER :: amdu = 100.E-3_wp !< mineral dust
202	REAL(wp), PARAMETER :: amh2o = 18.0154E-3_wp !< H2O
203	REAL(wp), PARAMETER :: amh2so4 = 98.06E-3_wp !< H2SO4
204	REAL(wp), PARAMETER :: amhno3 = 63.01E-3_wp !< HNO3
205	REAL(wp), PARAMETER :: amn2o = 44.013E-3_wp !< N2O
206	REAL(wp), PARAMETER :: amnh3 = 17.031E-3_wp !< NH3
207	REAL(wp), PARAMETER :: amo2 = 31.9988E-3_wp !< O2
208	REAL(wp), PARAMETER :: amo3 = 47.998E-3_wp !< O3
209	REAL(wp), PARAMETER :: amoc = 150.E-3_wp !< organic carbon (OC)
210	REAL(wp), PARAMETER :: amss = 58.44E-3_wp !< sea salt (NaCl)
211	!
212	!-- Densities in kg/m3
213	REAL(wp), PARAMETER :: arhobc = 2000.0_wp !< black carbon
214	REAL(wp), PARAMETER :: arhodu = 2650.0_wp !< mineral dust
215	REAL(wp), PARAMETER :: arhoh2o = 1000.0_wp !< H2O
216	REAL(wp), PARAMETER :: arhoh2so4 = 1830.0_wp !< SO4
217	REAL(wp), PARAMETER :: arhohno3 = 1479.0_wp !< HNO3
218	REAL(wp), PARAMETER :: arhonh3 = 1530.0_wp !< NH3
219	REAL(wp), PARAMETER :: arhooc = 2000.0_wp !< organic carbon
220	REAL(wp), PARAMETER :: arhoss = 2165.0_wp !< sea salt (NaCl)
221	!
222	!-- Volume of molecule in m3/#
223	REAL(wp), PARAMETER :: amvh2o = amh2o /avo / arhoh2o !< H2O
224	REAL(wp), PARAMETER :: amvh2so4 = amh2so4 / avo / arhoh2so4 !< SO4
225	REAL(wp), PARAMETER :: amvhno3 = amhno3 / avo / arhohno3 !< HNO3
226	REAL(wp), PARAMETER :: amvnh3 = amnh3 / avo / arhonh3 !< NH3
227	REAL(wp), PARAMETER :: amvoc = amoc / avo / arhooc !< OC
228	REAL(wp), PARAMETER :: amvss = amss / avo / arhoss !< sea salt
229	!
230	!-- Constants for the dry deposition model by Petroff and Zhang (2010):
231	!-- obstacle characteristic dimension "L" (cm) (plane obstacle by default) and empirical constants
232	!-- C_B, C_IN, C_IM, beta_IM and C_IT for each land use category (15, as in Zhang et al. (2001))
233	REAL(wp), DIMENSION(1:15), PARAMETER :: l_p10 = &
234	(/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/)
235	REAL(wp), DIMENSION(1:15), PARAMETER :: c_b_p10 = &
236	(/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/)
237	REAL(wp), DIMENSION(1:15), PARAMETER :: c_in_p10 = &
238	(/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/)
239	REAL(wp), DIMENSION(1:15), PARAMETER :: c_im_p10 = &
240	(/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/)
241	REAL(wp), DIMENSION(1:15), PARAMETER :: beta_im_p10 = &
242	(/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/)
243	REAL(wp), DIMENSION(1:15), PARAMETER :: c_it_p10 = &
244	(/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/)
245	!
246	!-- Constants for the dry deposition model by Zhang et al. (2001):
247	!-- empirical constants "alpha" and "gamma" and characteristic radius "A" for
248	!-- each land use category (15) and season (5)
249	REAL(wp), DIMENSION(1:15), PARAMETER :: alpha_z01 = &
250	(/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/)
251	REAL(wp), DIMENSION(1:15), PARAMETER :: gamma_z01 = &
252	(/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/)
253	REAL(wp), DIMENSION(1:15,1:5), PARAMETER :: A_z01 = RESHAPE( (/&
254	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
255	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
256	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
257	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
258	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
259	/), (/ 15, 5 /) )
260	!-- Land use categories (based on Z01 but the same applies here also for P10):
261	!-- 1 = evergreen needleleaf trees,
262	!-- 2 = evergreen broadleaf trees,
263	!-- 3 = deciduous needleleaf trees,
264	!-- 4 = deciduous broadleaf trees,
265	!-- 5 = mixed broadleaf and needleleaf trees (deciduous broadleaf trees for P10),
266	!-- 6 = grass (short grass for P10),
267	!-- 7 = crops, mixed farming,
268	!-- 8 = desert,
269	!-- 9 = tundra,
270	!-- 10 = shrubs and interrupted woodlands (thorn shrubs for P10),
271	!-- 11 = wetland with plants (long grass for P10)
272	!-- 12 = ice cap and glacier,
273	!-- 13 = inland water (inland lake for P10)
274	!-- 14 = ocean (water for P10),
275	!-- 15 = urban
276	!
277	!-- SALSA variables:
278	CHARACTER(LEN=20) :: bc_salsa_b = 'neumann' !< bottom boundary condition
279	CHARACTER(LEN=20) :: bc_salsa_t = 'neumann' !< top boundary condition
280	CHARACTER(LEN=20) :: depo_pcm_par = 'zhang2001' !< or 'petroff2010'
281	CHARACTER(LEN=20) :: depo_pcm_type = 'deciduous_broadleaf' !< leaf type
282	CHARACTER(LEN=20) :: depo_surf_par = 'zhang2001' !< or 'petroff2010'
283	CHARACTER(LEN=100) :: input_file_dynamic = 'PIDS_DYNAMIC' !< file name for dynamic input
284	CHARACTER(LEN=100) :: input_file_salsa = 'PIDS_SALSA' !< file name for emission data
285	CHARACTER(LEN=20) :: salsa_emission_mode = 'no_emission' !< 'no_emission', 'uniform',
286	!< 'parameterized', 'read_from_file'
287
288	CHARACTER(LEN=20), DIMENSION(4) :: decycle_method = &
289	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
290	!< Decycling method at horizontal boundaries
291	!< 1=left, 2=right, 3=south, 4=north
292	!< dirichlet = initial profiles for the ghost and first 3 layers
293	!< neumann = zero gradient
294
295	CHARACTER(LEN=3), DIMENSION(maxspec) :: listspec = & !< Active aerosols
296	(/'SO4',' ',' ',' ',' ',' ',' '/)
297
298	INTEGER(iwp) :: depo_pcm_type_num = 0 !< index for the dry deposition type on the plant canopy
299	INTEGER(iwp) :: dots_salsa = 0 !< starting index for salsa-timeseries
300	INTEGER(iwp) :: end_subrange_1a = 1 !< last index for bin subrange 1a
301	INTEGER(iwp) :: end_subrange_2a = 1 !< last index for bin subrange 2a
302	INTEGER(iwp) :: end_subrange_2b = 1 !< last index for bin subrange 2b
303	INTEGER(iwp) :: ibc_salsa_b !< index for the bottom boundary condition
304	INTEGER(iwp) :: ibc_salsa_t !< index for the top boundary condition
305	INTEGER(iwp) :: index_bc = -1 !< index for black carbon (BC)
306	INTEGER(iwp) :: index_du = -1 !< index for dust
307	INTEGER(iwp) :: igctyp = 0 !< Initial gas concentration type
308	!< 0 = uniform (read from PARIN)
309	!< 1 = read vertical profile from an input file
310	INTEGER(iwp) :: index_nh = -1 !< index for NH3
311	INTEGER(iwp) :: index_no = -1 !< index for HNO3
312	INTEGER(iwp) :: index_oc = -1 !< index for organic carbon (OC)
313	INTEGER(iwp) :: isdtyp = 0 !< Initial size distribution type
314	!< 0 = uniform (read from PARIN)
315	!< 1 = read vertical profile of the mode number
316	!< concentration from an input file
317	INTEGER(iwp) :: index_so4 = -1 !< index for SO4 or H2SO4
318	INTEGER(iwp) :: index_ss = -1 !< index for sea salt
319	INTEGER(iwp) :: lod_gas_emissions = 0 !< level of detail of the gaseous emission data
320	INTEGER(iwp) :: nbins_aerosol = 1 !< total number of size bins
321	INTEGER(iwp) :: ncc = 1 !< number of chemical components used
322	INTEGER(iwp) :: ncomponents_mass = 1 !< total number of chemical compounds (ncc+1)
323	!< if particle water is advected)
324	INTEGER(iwp) :: nj3 = 1 !< J3 parametrization (nucleation)
325	!< 1 = condensational sink (Kerminen&Kulmala, 2002)
326	!< 2 = coagulational sink (Lehtinen et al. 2007)
327	!< 3 = coagS+self-coagulation (Anttila et al. 2010)
328	INTEGER(iwp) :: nsnucl = 0 !< Choice of the nucleation scheme:
329	!< 0 = off
330	!< 1 = binary nucleation
331	!< 2 = activation type nucleation
332	!< 3 = kinetic nucleation
333	!< 4 = ternary nucleation
334	!< 5 = nucleation with ORGANICs
335	!< 6 = activation type of nucleation with H2SO4+ORG
336	!< 7 = heteromolecular nucleation with H2SO4*ORG
337	!< 8 = homomolecular nucleation of H2SO4
338	!< + heteromolecular nucleation with H2SO4*ORG
339	!< 9 = homomolecular nucleation of H2SO4 and ORG
340	!< + heteromolecular nucleation with H2SO4*ORG
341	INTEGER(iwp) :: start_subrange_1a = 1 !< start index for bin subranges: subrange 1a
342	INTEGER(iwp) :: start_subrange_2a = 1 !< subrange 2a
343	INTEGER(iwp) :: start_subrange_2b = 1 !< subrange 2b
344
345	INTEGER(iwp), DIMENSION(nreg) :: nbin = (/ 3, 7/) !< Number of size bins per subrange: 1 & 2
346
347	INTEGER(iwp), DIMENSION(ngases_salsa) :: gas_index_chem = &
348	(/ 1, 1, 1, 1, 1/) !< gas indices in chemistry_model_mod
349	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV, 5 = OCSV
350	INTEGER(iwp), DIMENSION(ngases_salsa) :: emission_index_chem !< gas indices in the gas emission file
351
352	INTEGER(iwp), DIMENSION(:,:), ALLOCATABLE :: k_topo_top !< vertical index of the topography top
353	!
354	!-- SALSA switches:
355	LOGICAL :: advect_particle_water = .TRUE. !< advect water concentration of particles
356	LOGICAL :: decycle_lr = .FALSE. !< Undo cyclic boundary conditions: left and right
357	LOGICAL :: decycle_ns = .FALSE. !< north and south boundaries
358	LOGICAL :: feedback_to_palm = .FALSE. !< allow feedback due to condensation of H2O
359	LOGICAL :: nest_salsa = .FALSE. !< apply nesting for salsa
360	LOGICAL :: no_insoluble = .FALSE. !< Switch to exclude insoluble chemical components
361	LOGICAL :: read_restart_data_salsa = .FALSE. !< read restart data for salsa
362	LOGICAL :: salsa_gases_from_chem = .FALSE. !< Transfer the gaseous components to SALSA from
363	!< from chemistry model
364	LOGICAL :: van_der_waals_coagc = .FALSE. !< Enhancement of coagulation kernel by van der
365	!< Waals and viscous forces
366	LOGICAL :: write_binary_salsa = .FALSE. !< read binary for salsa
367	!
368	!-- Process switches: nl* is read from the NAMELIST and is NOT changed.
369	!-- ls* is the switch used and will get the value of nl*
370	!-- except for special circumstances (spinup period etc.)
371	LOGICAL :: nlcoag = .FALSE. !< Coagulation master switch
372	LOGICAL :: lscoag = .FALSE. !<
373	LOGICAL :: nlcnd = .FALSE. !< Condensation master switch
374	LOGICAL :: lscnd = .FALSE. !<
375	LOGICAL :: nlcndgas = .FALSE. !< Condensation of precursor gases
376	LOGICAL :: lscndgas = .FALSE. !<
377	LOGICAL :: nlcndh2oae = .FALSE. !< Condensation of H2O on aerosol
378	LOGICAL :: lscndh2oae = .FALSE. !< particles (FALSE -> equilibrium calc.)
379	LOGICAL :: nldepo = .FALSE. !< Deposition master switch
380	LOGICAL :: lsdepo = .FALSE. !<
381	LOGICAL :: nldepo_surf = .FALSE. !< Deposition on vegetation master switch
382	LOGICAL :: lsdepo_surf = .FALSE. !<
383	LOGICAL :: nldepo_pcm = .FALSE. !< Deposition on walls master switch
384	LOGICAL :: lsdepo_pcm = .FALSE. !<
385	LOGICAL :: nldistupdate = .TRUE. !< Size distribution update master switch
386	LOGICAL :: lsdistupdate = .FALSE. !<
387	LOGICAL :: lspartition = .FALSE. !< Partition of HNO3 and NH3
388
389	REAL(wp) :: act_coeff = 1.0E-7_wp !< Activation coefficient
390	REAL(wp) :: dt_salsa = 0.00001_wp !< Time step of SALSA
391	REAL(wp) :: h2so4_init = nclim !< Init value for sulphuric acid gas
392	REAL(wp) :: hno3_init = nclim !< Init value for nitric acid gas
393	REAL(wp) :: last_salsa_time = 0.0_wp !< previous salsa call
394	REAL(wp) :: next_aero_emission_update = 0.0_wp !< previous emission update
395	REAL(wp) :: next_gas_emission_update = 0.0_wp !< previous emission update
396	REAL(wp) :: nf2a = 1.0_wp !< Number fraction allocated to 2a-bins
397	REAL(wp) :: nh3_init = nclim !< Init value for ammonia gas
398	REAL(wp) :: ocnv_init = nclim !< Init value for non-volatile organic gases
399	REAL(wp) :: ocsv_init = nclim !< Init value for semi-volatile organic gases
400	REAL(wp) :: rhlim = 1.20_wp !< RH limit in %/100. Prevents unrealistical RH
401	REAL(wp) :: skip_time_do_salsa = 0.0_wp !< Starting time of SALSA (s)
402	!
403	!-- Initial log-normal size distribution: mode diameter (dpg, metres),
404	!-- standard deviation (sigmag) and concentration (n_lognorm, #/m3)
405	REAL(wp), DIMENSION(nmod) :: dpg = &
406	(/0.013_wp, 0.054_wp, 0.86_wp, 0.2_wp, 0.2_wp, 0.2_wp, 0.2_wp/)
407	REAL(wp), DIMENSION(nmod) :: sigmag = &
408	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
409	REAL(wp), DIMENSION(nmod) :: n_lognorm = &
410	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
411	!
412	!-- Initial mass fractions / chemical composition of the size distribution
413	REAL(wp), DIMENSION(maxspec) :: mass_fracs_a = & !< mass fractions between
414	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for A bins
415	REAL(wp), DIMENSION(maxspec) :: mass_fracs_b = & !< mass fractions between
416	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for B bins
417	REAL(wp), DIMENSION(nreg+1) :: reglim = & !< Min&max diameters of size subranges
418	(/ 3.0E-9_wp, 5.0E-8_wp, 1.0E-5_wp/)
419	!
420	!-- Initial log-normal size distribution: mode diameter (dpg, metres), standard deviation (sigmag)
421	!-- concentration (n_lognorm, #/m3) and mass fractions of all chemical components (listed in
422	!-- listspec) for both a (soluble) and b (insoluble) bins.
423	REAL(wp), DIMENSION(nmod) :: aerosol_flux_dpg = &
424	(/0.013_wp, 0.054_wp, 0.86_wp, 0.2_wp, 0.2_wp, 0.2_wp, 0.2_wp/)
425	REAL(wp), DIMENSION(nmod) :: aerosol_flux_sigmag = &
426	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
427	REAL(wp), DIMENSION(nmod) :: surface_aerosol_flux = &
428	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
429	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_a = &
430	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
431	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_b = &
432	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
433
434	REAL(wp), DIMENSION(:), ALLOCATABLE :: bin_low_limits !< to deliver information about
435	!< the lower diameters per bin
436	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_am_t_val !< vertical gradient of: aerosol mass
437	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_an_t_val !< of: aerosol number
438	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_gt_t_val !< salsa gases near domain top
439	REAL(wp), DIMENSION(:), ALLOCATABLE :: gas_emission_time !< Time array in gas emission data (s)
440	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect !< Background number concentrations
441	REAL(wp), DIMENSION(:), ALLOCATABLE :: massacc !< Mass accomodation coefficients
442	!
443	!-- SALSA derived datatypes:
444	!
445	!-- For matching LSM and the deposition module surface types
446	TYPE match_lsm_depo
447	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match
448	END TYPE match_lsm_depo
449	!
450	!-- Aerosol emission data attributes
451	TYPE salsa_emission_attribute_type
452
453	CHARACTER(LEN=25) :: units
454
455	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cat_name !<
456	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !<
457	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: unit_time !<
458	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !<
459
460	INTEGER(iwp) :: lod = 0 !< level of detail
461	INTEGER(iwp) :: nbins = 10 !< number of aerosol size bins
462	INTEGER(iwp) :: ncat = 0 !< number of emission categories
463	INTEGER(iwp) :: ncc = 7 !< number of aerosol chemical components
464	INTEGER(iwp) :: nhoursyear = 0 !< number of hours: HOURLY mode
465	INTEGER(iwp) :: nmonthdayhour = 0 !< number of month days and hours: MDH mode
466	INTEGER(iwp) :: num_vars !< number of variables
467	INTEGER(iwp) :: nt = 0 !< number of time steps
468	INTEGER(iwp) :: nz = 0 !< number of vertical levels
469	INTEGER(iwp) :: tind !< time index for reference time in salsa emission data
470
471	INTEGER(iwp), DIMENSION(maxspec) :: cc_input_to_model !<
472
473	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cat_index !< Index of emission categories
474	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cc_index !< Index of chemical components
475
476	REAL(wp) :: conversion_factor !< unit conversion factor for aerosol emissions
477
478	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< mean diameters of size bins (m)
479	REAL(wp), DIMENSION(:), ALLOCATABLE :: rho !< average density (kg/m3)
480	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time (s)
481	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
482	REAL(wp), DIMENSION(:), ALLOCATABLE :: z !< height (m)
483
484	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: etf !< emission time factor
485	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: stack_height
486
487	END TYPE salsa_emission_attribute_type
488	!
489	!-- The default size distribution and mass composition per emission category:
490	!-- 1 = traffic, 2 = road dust, 3 = wood combustion, 4 = other
491	!-- Mass fractions: H2SO4, OC, BC, DU, SS, HNO3, NH3
492	TYPE salsa_emission_mode_type
493
494	INTEGER(iwp) :: ndm = 3 !< number of default modes
495	INTEGER(iwp) :: ndc = 4 !< number of default categories
496
497	CHARACTER(LEN=25), DIMENSION(1:4) :: cat_name_table = (/'traffic exhaust', &
498	'road dust ', &
499	'wood combustion', &
500	'other '/)
501
502	INTEGER(iwp), DIMENSION(1:4) :: cat_input_to_model !<
503
504	REAL(wp), DIMENSION(1:3) :: dpg_table = (/ 13.5E-9_wp, 1.4E-6_wp, 5.4E-8_wp/) !<
505	REAL(wp), DIMENSION(1:3) :: ntot_table !<
506	REAL(wp), DIMENSION(1:3) :: sigmag_table = (/ 1.6_wp, 1.4_wp, 1.7_wp /) !<
507
508	REAL(wp), DIMENSION(1:maxspec,1:4) :: mass_frac_table = & !<
509	RESHAPE( (/ 0.04_wp, 0.48_wp, 0.48_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
510	0.0_wp, 0.05_wp, 0.0_wp, 0.95_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
511	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
512	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp &
513	/), (/maxspec,4/) )
514
515	REAL(wp), DIMENSION(1:3,1:4) :: pm_frac_table = & !< rel. mass
516	RESHAPE( (/ 0.016_wp, 0.000_wp, 0.984_wp, &
517	0.000_wp, 1.000_wp, 0.000_wp, &
518	0.000_wp, 0.000_wp, 1.000_wp, &
519	1.000_wp, 0.000_wp, 1.000_wp &
520	/), (/3,4/) )
521
522	END TYPE salsa_emission_mode_type
523	!
524	!-- Aerosol emission data values
525	TYPE salsa_emission_value_type
526
527	REAL(wp) :: fill !< fill value
528
529	REAL(wp), DIMENSION(:), ALLOCATABLE :: preproc_mass_fracs !< mass fractions
530
531	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: def_mass_fracs !< mass fractions per emis. category
532
533	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: def_data !< surface emission values in PM
534	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: preproc_data !< surface emission values per bin
535
536	END TYPE salsa_emission_value_type
537	!
538	!-- Prognostic variable: Aerosol size bin information (number (#/m3) and mass (kg/m3) concentration)
539	!-- and the concentration of gaseous tracers (#/m3). Gas tracers are contained sequentially in
540	!-- dimension 4 as:
541	!-- 1. H2SO4, 2. HNO3, 3. NH3, 4. OCNV (non-volatile organics), 5. OCSV (semi-volatile)
542	TYPE salsa_variable
543
544	REAL(wp), ALLOCATABLE, DIMENSION(:) :: init !<
545
546	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s !<
547	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s !<
548	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: source !<
549	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: sums_ws_l !<
550
551	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l !<
552	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l !<
553
554	REAL(wp), POINTER, DIMENSION(:,:,:), CONTIGUOUS :: conc !<
555	REAL(wp), POINTER, DIMENSION(:,:,:), CONTIGUOUS :: conc_p !<
556	REAL(wp), POINTER, DIMENSION(:,:,:), CONTIGUOUS :: tconc_m !<
557
558	END TYPE salsa_variable
559	!
560	!-- Datatype used to store information about the binned size distributions of aerosols
561	TYPE t_section
562
563	REAL(wp) :: dmid !< bin middle diameter (m)
564	REAL(wp) :: vhilim !< bin volume at the high limit
565	REAL(wp) :: vlolim !< bin volume at the low limit
566	REAL(wp) :: vratiohi !< volume ratio between the center and high limit
567	REAL(wp) :: vratiolo !< volume ratio between the center and low limit
568	!******************************************************
569	! ^ Do NOT change the stuff above after initialization !
570	!******************************************************
571	REAL(wp) :: core !< Volume of dry particle
572	REAL(wp) :: dwet !< Wet diameter or mean droplet diameter (m)
573	REAL(wp) :: numc !< Number concentration of particles/droplets (#/m3)
574	REAL(wp) :: veqh2o !< Equilibrium H2O concentration for each particle
575
576	REAL(wp), DIMENSION(maxspec+1) :: volc !< Volume concentrations (m^3/m^3) of aerosols +
577	!< water. Since most of the stuff in SALSA is hard
578	!< coded, these have to be in the order
579	!< 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
580	END TYPE t_section
581
582	TYPE(salsa_emission_attribute_type) :: aero_emission_att !< emission attributes
583	TYPE(salsa_emission_value_type) :: aero_emission !< emission values
584	TYPE(salsa_emission_mode_type) :: def_modes !< default emission modes
585
586	TYPE(t_section), DIMENSION(:), ALLOCATABLE :: aero !< local aerosol properties
587
588	TYPE(match_lsm_depo) :: lsm_to_depo_h
589
590	TYPE(match_lsm_depo), DIMENSION(0:3) :: lsm_to_depo_v
591	!
592	!-- SALSA variables: as x = x(k,j,i,bin).
593	!-- The 4th dimension contains all the size bins sequentially for each aerosol species + water.
594	!
595	!-- Prognostic variables:
596	!
597	!-- Number concentration (#/m3)
598	TYPE(salsa_variable), ALLOCATABLE, DIMENSION(:), TARGET :: aerosol_number !<
599	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nconc_1 !<
600	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nconc_2 !<
601	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nconc_3 !<
602	!
603	!-- Mass concentration (kg/m3)
604	TYPE(salsa_variable), ALLOCATABLE, DIMENSION(:), TARGET :: aerosol_mass !<
605	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mconc_1 !<
606	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mconc_2 !<
607	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mconc_3 !<
608	!
609	!-- Gaseous concentrations (#/m3)
610	TYPE(salsa_variable), ALLOCATABLE, DIMENSION(:), TARGET :: salsa_gas !<
611	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: gconc_1 !<
612	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: gconc_2 !<
613	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: gconc_3 !<
614	!
615	!-- Diagnostic tracers
616	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:) :: sedim_vd !< sedimentation velocity per bin (m/s)
617	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:) :: ra_dry !< aerosol dry radius (m)
618
619	!-- Particle component index tables
620	TYPE(component_index) :: prtcl !< Contains "getIndex" which gives the index for a given aerosol
621	!< component name: 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
622	!
623	!-- Data output arrays:
624	!
625	!-- Gases:
626	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_h2so4_av !< H2SO4
627	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_hno3_av !< HNO3
628	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_nh3_av !< NH3
629	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_ocnv_av !< non-volatile OC
630	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_ocsv_av !< semi-volatile OC
631	!
632	!-- Integrated:
633	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: ldsa_av !< lung-deposited surface area
634	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: ntot_av !< total number concentration
635	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: pm25_av !< PM2.5
636	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: pm10_av !< PM10
637	!
638	!-- In the particle phase:
639	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_bc_av !< black carbon
640	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_du_av !< dust
641	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_h2o_av !< liquid water
642	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_nh_av !< ammonia
643	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_no_av !< nitrates
644	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_oc_av !< org. carbon
645	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_so4_av !< sulphates
646	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_ss_av !< sea salt
647	!
648	!-- Bin specific mass and number concentrations:
649	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mbins_av !< bin mas
650	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nbins_av !< bin number
651
652	!
653	!-- PALM interfaces:
654	!
655	!-- Boundary conditions:
656	INTERFACE salsa_boundary_conds
657	MODULE PROCEDURE salsa_boundary_conds
658	MODULE PROCEDURE salsa_boundary_conds_decycle
659	END INTERFACE salsa_boundary_conds
660	!
661	!-- Data output checks for 2D/3D data to be done in check_parameters
662	INTERFACE salsa_check_data_output
663	MODULE PROCEDURE salsa_check_data_output
664	END INTERFACE salsa_check_data_output
665	!
666	!-- Input parameter checks to be done in check_parameters
667	INTERFACE salsa_check_parameters
668	MODULE PROCEDURE salsa_check_parameters
669	END INTERFACE salsa_check_parameters
670	!
671	!-- Averaging of 3D data for output
672	INTERFACE salsa_3d_data_averaging
673	MODULE PROCEDURE salsa_3d_data_averaging
674	END INTERFACE salsa_3d_data_averaging
675	!
676	!-- Data output of 2D quantities
677	INTERFACE salsa_data_output_2d
678	MODULE PROCEDURE salsa_data_output_2d
679	END INTERFACE salsa_data_output_2d
680	!
681	!-- Data output of 3D data
682	INTERFACE salsa_data_output_3d
683	MODULE PROCEDURE salsa_data_output_3d
684	END INTERFACE salsa_data_output_3d
685	!
686	!-- Data output of 3D data
687	INTERFACE salsa_data_output_mask
688	MODULE PROCEDURE salsa_data_output_mask
689	END INTERFACE salsa_data_output_mask
690	!
691	!-- Definition of data output quantities
692	INTERFACE salsa_define_netcdf_grid
693	MODULE PROCEDURE salsa_define_netcdf_grid
694	END INTERFACE salsa_define_netcdf_grid
695	!
696	!-- Output of information to the header file
697	INTERFACE salsa_header
698	MODULE PROCEDURE salsa_header
699	END INTERFACE salsa_header
700	!
701	!-- Initialization actions
702	INTERFACE salsa_init
703	MODULE PROCEDURE salsa_init
704	END INTERFACE salsa_init
705	!
706	!-- Initialization of arrays
707	INTERFACE salsa_init_arrays
708	MODULE PROCEDURE salsa_init_arrays
709	END INTERFACE salsa_init_arrays
710	!
711	!-- Writing of binary output for restart runs !!! renaming?!
712	INTERFACE salsa_wrd_local
713	MODULE PROCEDURE salsa_wrd_local
714	END INTERFACE salsa_wrd_local
715	!
716	!-- Reading of NAMELIST parameters
717	INTERFACE salsa_parin
718	MODULE PROCEDURE salsa_parin
719	END INTERFACE salsa_parin
720	!
721	!-- Reading of parameters for restart runs
722	INTERFACE salsa_rrd_local
723	MODULE PROCEDURE salsa_rrd_local
724	END INTERFACE salsa_rrd_local
725	!
726	!-- Swapping of time levels (required for prognostic variables)
727	INTERFACE salsa_swap_timelevel
728	MODULE PROCEDURE salsa_swap_timelevel
729	END INTERFACE salsa_swap_timelevel
730	!
731	!-- Interface between PALM and salsa
732	INTERFACE salsa_driver
733	MODULE PROCEDURE salsa_driver
734	END INTERFACE salsa_driver
735
736	!-- Actions salsa variables
737	INTERFACE salsa_actions
738	MODULE PROCEDURE salsa_actions
739	MODULE PROCEDURE salsa_actions_ij
740	END INTERFACE salsa_actions
741	!
742	!-- Prognostics equations for salsa variables
743	INTERFACE salsa_prognostic_equations
744	MODULE PROCEDURE salsa_prognostic_equations
745	MODULE PROCEDURE salsa_prognostic_equations_ij
746	END INTERFACE salsa_prognostic_equations
747	!
748	!-- Tendency salsa variables
749	INTERFACE salsa_tendency
750	MODULE PROCEDURE salsa_tendency
751	MODULE PROCEDURE salsa_tendency_ij
752	END INTERFACE salsa_tendency
753
754
755	SAVE
756
757	PRIVATE
758	!
759	!-- Public functions:
760	PUBLIC salsa_boundary_conds, salsa_check_data_output, salsa_check_parameters, &
761	salsa_3d_data_averaging, salsa_data_output_2d, salsa_data_output_3d, &
762	salsa_data_output_mask, salsa_define_netcdf_grid, salsa_diagnostics, salsa_driver, &
763	salsa_emission_update, salsa_header, salsa_init, salsa_init_arrays, salsa_parin, &
764	salsa_rrd_local, salsa_swap_timelevel, salsa_prognostic_equations, salsa_wrd_local, &
765	salsa_actions
766	!
767	!-- Public parameters, constants and initial values
768	PUBLIC bc_am_t_val, bc_an_t_val, bc_gt_t_val, dots_salsa, dt_salsa, &
769	ibc_salsa_b, last_salsa_time, lsdepo, nest_salsa, salsa, salsa_gases_from_chem, &
770	skip_time_do_salsa
771	!
772	!-- Public prognostic variables
773	PUBLIC aerosol_mass, aerosol_number, gconc_2, mconc_2, nbins_aerosol, ncc, ncomponents_mass, &
774	nclim, nconc_2, ngases_salsa, prtcl, ra_dry, salsa_gas, sedim_vd
775
776
777	CONTAINS
778
779	!------------------------------------------------------------------------------!
780	! Description:
781	! ------------
782	!> Parin for &salsa_par for new modules
783	!------------------------------------------------------------------------------!
784	SUBROUTINE salsa_parin
785
786	IMPLICIT NONE
787
788	CHARACTER(LEN=80) :: line !< dummy string that contains the current line
789	!< of the parameter file
790
791	NAMELIST /salsa_parameters/ aerosol_flux_dpg, aerosol_flux_mass_fracs_a, &
792	aerosol_flux_mass_fracs_b, aerosol_flux_sigmag, &
793	advect_particle_water, bc_salsa_b, bc_salsa_t, decycle_lr, &
794	decycle_method, decycle_ns, depo_pcm_par, depo_pcm_type, &
795	depo_surf_par, dpg, dt_salsa, feedback_to_palm, h2so4_init, &
796	hno3_init, igctyp, isdtyp, listspec, mass_fracs_a, &
797	mass_fracs_b, n_lognorm, nbin, nest_salsa, nf2a, nh3_init, &
798	nj3, nlcnd, nlcndgas, nlcndh2oae, nlcoag, nldepo, nldepo_pcm, &
799	nldepo_surf, nldistupdate, nsnucl, ocnv_init, ocsv_init, &
800	read_restart_data_salsa, reglim, salsa, salsa_emission_mode, &
801	sigmag, skip_time_do_salsa, surface_aerosol_flux, &
802	van_der_waals_coagc, write_binary_salsa
803
804	line = ' '
805	!
806	!-- Try to find salsa package
807	REWIND ( 11 )
808	line = ' '
809	DO WHILE ( INDEX( line, '&salsa_parameters' ) == 0 )
810	READ ( 11, '(A)', END=10 ) line
811	ENDDO
812	BACKSPACE ( 11 )
813	!
814	!-- Read user-defined namelist
815	READ ( 11, salsa_parameters )
816	!
817	!-- Enable salsa (salsa switch in modules.f90)
818	salsa = .TRUE.
819
820	10 CONTINUE
821
822	END SUBROUTINE salsa_parin
823
824	!------------------------------------------------------------------------------!
825	! Description:
826	! ------------
827	!> Check parameters routine for salsa.
828	!------------------------------------------------------------------------------!
829	SUBROUTINE salsa_check_parameters
830
831	USE control_parameters, &
832	ONLY: message_string
833
834	IMPLICIT NONE
835
836	!
837	!-- Checks go here (cf. check_parameters.f90).
838	IF ( salsa .AND. .NOT. humidity ) THEN
839	WRITE( message_string, * ) 'salsa = ', salsa, ' is not allowed with humidity = ', humidity
840	CALL message( 'salsa_check_parameters', 'PA0594', 1, 2, 0, 6, 0 )
841	ENDIF
842
843	IF ( bc_salsa_b == 'dirichlet' ) THEN
844	ibc_salsa_b = 0
845	ELSEIF ( bc_salsa_b == 'neumann' ) THEN
846	ibc_salsa_b = 1
847	ELSE
848	message_string = 'unknown boundary condition: bc_salsa_b = "' // TRIM( bc_salsa_t ) // '"'
849	CALL message( 'salsa_check_parameters', 'PA0595', 1, 2, 0, 6, 0 )
850	ENDIF
851
852	IF ( bc_salsa_t == 'dirichlet' ) THEN
853	ibc_salsa_t = 0
854	ELSEIF ( bc_salsa_t == 'neumann' ) THEN
855	ibc_salsa_t = 1
856	ELSEIF ( bc_salsa_t == 'nested' ) THEN
857	ibc_salsa_t = 2
858	ELSE
859	message_string = 'unknown boundary condition: bc_salsa_t = "' // TRIM( bc_salsa_t ) // '"'
860	CALL message( 'salsa_check_parameters', 'PA0596', 1, 2, 0, 6, 0 )
861	ENDIF
862
863	IF ( nj3 < 1 .OR. nj3 > 3 ) THEN
864	message_string = 'unknown nj3 (must be 1-3)'
865	CALL message( 'salsa_check_parameters', 'PA0597', 1, 2, 0, 6, 0 )
866	ENDIF
867
868	IF ( salsa_emission_mode == 'read_from_file' .AND. ibc_salsa_b == 0 ) THEN
869	message_string = 'salsa_emission_mode == read_from_file requires bc_salsa_b = "Neumann"'
870	CALL message( 'salsa_check_parameters','PA0598', 1, 2, 0, 6, 0 )
871	ENDIF
872
873	END SUBROUTINE salsa_check_parameters
874
875	!------------------------------------------------------------------------------!
876	!
877	! Description:
878	! ------------
879	!> Subroutine defining appropriate grid for netcdf variables.
880	!> It is called out from subroutine netcdf.
881	!> Same grid as for other scalars (see netcdf_interface_mod.f90)
882	!------------------------------------------------------------------------------!
883	SUBROUTINE salsa_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
884
885	IMPLICIT NONE
886
887	CHARACTER(LEN=*), INTENT(OUT) :: grid_x !<
888	CHARACTER(LEN=*), INTENT(OUT) :: grid_y !<
889	CHARACTER(LEN=*), INTENT(OUT) :: grid_z !<
890	CHARACTER(LEN=*), INTENT(IN) :: var !<
891
892	LOGICAL, INTENT(OUT) :: found !<
893
894	found = .TRUE.
895	!
896	!-- Check for the grid
897
898	IF ( var(1:2) == 'g_' ) THEN
899	grid_x = 'x'
900	grid_y = 'y'
901	grid_z = 'zu'
902	ELSEIF ( var(1:4) == 'LDSA' ) THEN
903	grid_x = 'x'
904	grid_y = 'y'
905	grid_z = 'zu'
906	ELSEIF ( var(1:5) == 'm_bin' ) THEN
907	grid_x = 'x'
908	grid_y = 'y'
909	grid_z = 'zu'
910	ELSEIF ( var(1:5) == 'N_bin' ) THEN
911	grid_x = 'x'
912	grid_y = 'y'
913	grid_z = 'zu'
914	ELSEIF ( var(1:4) == 'Ntot' ) THEN
915	grid_x = 'x'
916	grid_y = 'y'
917	grid_z = 'zu'
918	ELSEIF ( var(1:2) == 'PM' ) THEN
919	grid_x = 'x'
920	grid_y = 'y'
921	grid_z = 'zu'
922	ELSEIF ( var(1:2) == 's_' ) THEN
923	grid_x = 'x'
924	grid_y = 'y'
925	grid_z = 'zu'
926	ELSE
927	found = .FALSE.
928	grid_x = 'none'
929	grid_y = 'none'
930	grid_z = 'none'
931	ENDIF
932
933	END SUBROUTINE salsa_define_netcdf_grid
934
935	!------------------------------------------------------------------------------!
936	! Description:
937	! ------------
938	!> Header output for new module
939	!------------------------------------------------------------------------------!
940	SUBROUTINE salsa_header( io )
941
942	IMPLICIT NONE
943
944	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
945	!
946	!-- Write SALSA header
947	WRITE( io, 1 )
948	WRITE( io, 2 ) skip_time_do_salsa
949	WRITE( io, 3 ) dt_salsa
950	WRITE( io, 4 ) SHAPE( aerosol_number(1)%conc ), nbins_aerosol
951	IF ( advect_particle_water ) THEN
952	WRITE( io, 5 ) SHAPE( aerosol_mass(1)%conc ), ncomponents_mass*nbins_aerosol, &
953	advect_particle_water
954	ELSE
955	WRITE( io, 5 ) SHAPE( aerosol_mass(1)%conc ), ncc*nbins_aerosol, advect_particle_water
956	ENDIF
957	IF ( .NOT. salsa_gases_from_chem ) THEN
958	WRITE( io, 6 ) SHAPE( aerosol_mass(1)%conc ), ngases_salsa, salsa_gases_from_chem
959	ENDIF
960	WRITE( io, 7 )
961	IF ( nsnucl > 0 ) THEN
962	WRITE( io, 8 ) nsnucl, nj3
963	ENDIF
964	IF ( nlcoag ) THEN
965	WRITE( io, 9 )
966	ENDIF
967	IF ( nlcnd ) THEN
968	WRITE( io, 10 ) nlcndgas, nlcndh2oae
969	ENDIF
970	IF ( lspartition ) THEN
971	WRITE( io, 11 )
972	ENDIF
973	IF ( nldepo ) THEN
974	WRITE( io, 12 ) nldepo_pcm, nldepo_surf
975	ENDIF
976	WRITE( io, 13 ) reglim, nbin, bin_low_limits
977	IF ( isdtyp == 0 ) WRITE( io, 14 ) nsect
978	WRITE( io, 15 ) ncc, listspec, mass_fracs_a, mass_fracs_b
979	IF ( .NOT. salsa_gases_from_chem ) THEN
980	WRITE( io, 16 ) ngases_salsa, h2so4_init, hno3_init, nh3_init, ocnv_init, ocsv_init
981	ENDIF
982	WRITE( io, 17 ) isdtyp, igctyp
983	IF ( isdtyp == 0 ) THEN
984	WRITE( io, 18 ) dpg, sigmag, n_lognorm
985	ELSE
986	WRITE( io, 19 )
987	ENDIF
988	IF ( nest_salsa ) WRITE( io, 20 ) nest_salsa
989	WRITE( io, 21 ) salsa_emission_mode
990
991
992	1 FORMAT (//' SALSA information:'/ &
993	' ------------------------------'/)
994	2 FORMAT (' Starts at: skip_time_do_salsa = ', F10.2, ' s')
995	3 FORMAT (/' Timestep: dt_salsa = ', F6.2, ' s')
996	4 FORMAT (/' Array shape (z,y,x,bins):'/ &
997	' aerosol_number: ', 4(I3))
998	5 FORMAT (/' aerosol_mass: ', 4(I3),/ &
999	' (advect_particle_water = ', L1, ')')
1000	6 FORMAT (' salsa_gas: ', 4(I3),/ &
1001	' (salsa_gases_from_chem = ', L1, ')')
1002	7 FORMAT (/' Aerosol dynamic processes included: ')
1003	8 FORMAT (/' nucleation (scheme = ', I1, ' and J3 parametrization = ', I1, ')')
1004	9 FORMAT (/' coagulation')
1005	10 FORMAT (/' condensation (of precursor gases = ', L1, ' and water vapour = ', L1, ')' )
1006	11 FORMAT (/' dissolutional growth by HNO3 and NH3')
1007	12 FORMAT (/' dry deposition (on vegetation = ', L1, ' and on topography = ', L1, ')')
1008	13 FORMAT (/' Aerosol bin subrange limits (in metres): ', 3(ES10.2E3), / &
1009	' Number of size bins for each aerosol subrange: ', 2I3,/ &
1010	' Aerosol bin limits (in metres): ', 9(ES10.2E3))
1011	14 FORMAT (' Initial number concentration in bins at the lowest level (#/m**3):', 9(ES10.2E3))
1012	15 FORMAT (/' Number of chemical components used: ', I1,/ &
1013	' Species: ',7(A6),/ &
1014	' Initial relative contribution of each species to particle volume in:',/ &
1015	' a-bins: ', 7(F6.3),/ &
1016	' b-bins: ', 7(F6.3))
1017	16 FORMAT (/' Number of gaseous tracers used: ', I1,/ &
1018	' Initial gas concentrations:',/ &
1019	' H2SO4: ',ES12.4E3, ' #/m**3',/ &
1020	' HNO3: ',ES12.4E3, ' #/m**3',/ &
1021	' NH3: ',ES12.4E3, ' #/m**3',/ &
1022	' OCNV: ',ES12.4E3, ' #/m**3',/ &
1023	' OCSV: ',ES12.4E3, ' #/m**3')
1024	17 FORMAT (/' Initialising concentrations: ', / &
1025	' Aerosol size distribution: isdtyp = ', I1,/ &
1026	' Gas concentrations: igctyp = ', I1 )
1027	18 FORMAT ( ' Mode diametres: dpg(nmod) = ', 7(F7.3), ' (m)', / &
1028	' Standard deviation: sigmag(nmod) = ', 7(F7.2),/ &
1029	' Number concentration: n_lognorm(nmod) = ', 7(ES12.4E3), ' (#/m3)' )
1030	19 FORMAT (/' Size distribution read from a file.')
1031	20 FORMAT (/' Nesting for salsa variables: ', L1 )
1032	21 FORMAT (/' Emissions: salsa_emission_mode = ', A )
1033
1034	END SUBROUTINE salsa_header
1035
1036	!------------------------------------------------------------------------------!
1037	! Description:
1038	! ------------
1039	!> Allocate SALSA arrays and define pointers if required
1040	!------------------------------------------------------------------------------!
1041	SUBROUTINE salsa_init_arrays
1042
1043	USE chem_gasphase_mod, &
1044	ONLY: nvar
1045
1046	USE surface_mod, &
1047	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
1048
1049	IMPLICIT NONE
1050
1051	INTEGER(iwp) :: gases_available !< Number of available gas components in the chemistry model
1052	INTEGER(iwp) :: i !< loop index for allocating
1053	INTEGER(iwp) :: l !< loop index for allocating: surfaces
1054	INTEGER(iwp) :: lsp !< loop index for chem species in the chemistry model
1055
1056	gases_available = 0
1057	!
1058	!-- Allocate prognostic variables (see salsa_swap_timelevel)
1059	!
1060	!-- Set derived indices:
1061	!-- (This does the same as the subroutine salsa_initialize in SALSA/UCLALES-SALSA)
1062	start_subrange_1a = 1 ! 1st index of subrange 1a
1063	start_subrange_2a = start_subrange_1a + nbin(1) ! 1st index of subrange 2a
1064	end_subrange_1a = start_subrange_2a - 1 ! last index of subrange 1a
1065	end_subrange_2a = end_subrange_1a + nbin(2) ! last index of subrange 2a
1066
1067	!
1068	!-- If the fraction of insoluble aerosols in subrange 2 is zero: do not allocate arrays for them
1069	IF ( nf2a > 0.999999_wp .AND. SUM( mass_fracs_b ) < 0.00001_wp ) THEN
1070	no_insoluble = .TRUE.
1071	start_subrange_2b = end_subrange_2a+1 ! 1st index of subrange 2b
1072	end_subrange_2b = end_subrange_2a ! last index of subrange 2b
1073	ELSE
1074	start_subrange_2b = start_subrange_2a + nbin(2) ! 1st index of subrange 2b
1075	end_subrange_2b = end_subrange_2a + nbin(2) ! last index of subrange 2b
1076	ENDIF
1077
1078	nbins_aerosol = end_subrange_2b ! total number of aerosol size bins
1079	!
1080	!-- Create index tables for different aerosol components
1081	CALL component_index_constructor( prtcl, ncc, maxspec, listspec )
1082
1083	ncomponents_mass = ncc
1084	IF ( advect_particle_water ) ncomponents_mass = ncc + 1 ! Add water
1085
1086	!
1087	!-- Allocate:
1088	ALLOCATE( aero(nbins_aerosol), bc_am_t_val(nbins_aerosol*ncomponents_mass), &
1089	bc_an_t_val(ngases_salsa), bc_gt_t_val(nbins_aerosol), bin_low_limits(nbins_aerosol),&
1090	nsect(nbins_aerosol), massacc(nbins_aerosol) )
1091	ALLOCATE( k_topo_top(nysg:nyng,nxlg:nxrg) )
1092	IF ( nldepo ) ALLOCATE( sedim_vd(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1093	ALLOCATE( ra_dry(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1094
1095	!
1096	!-- Aerosol number concentration
1097	ALLOCATE( aerosol_number(nbins_aerosol) )
1098	ALLOCATE( nconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1099	nconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1100	nconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1101	nconc_1 = 0.0_wp
1102	nconc_2 = 0.0_wp
1103	nconc_3 = 0.0_wp
1104
1105	DO i = 1, nbins_aerosol
1106	aerosol_number(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,i)
1107	aerosol_number(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,i)
1108	aerosol_number(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_3(:,:,:,i)
1109	ALLOCATE( aerosol_number(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1110	aerosol_number(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1111	aerosol_number(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1112	aerosol_number(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1113	aerosol_number(i)%init(nzb:nzt+1), &
1114	aerosol_number(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1115	ENDDO
1116
1117	!
1118	!-- Aerosol mass concentration
1119	ALLOCATE( aerosol_mass(ncomponents_mass*nbins_aerosol) )
1120	ALLOCATE( mconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1121	mconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1122	mconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol) )
1123	mconc_1 = 0.0_wp
1124	mconc_2 = 0.0_wp
1125	mconc_3 = 0.0_wp
1126
1127	DO i = 1, ncomponents_mass*nbins_aerosol
1128	aerosol_mass(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,i)
1129	aerosol_mass(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,i)
1130	aerosol_mass(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_3(:,:,:,i)
1131	ALLOCATE( aerosol_mass(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1132	aerosol_mass(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1133	aerosol_mass(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1134	aerosol_mass(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1135	aerosol_mass(i)%init(nzb:nzt+1), &
1136	aerosol_mass(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1137	ENDDO
1138
1139	!
1140	!-- Surface fluxes: answs = aerosol number, amsws = aerosol mass
1141	!
1142	!-- Horizontal surfaces: default type
1143	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1144	ALLOCATE( surf_def_h(l)%answs( 1:surf_def_h(l)%ns, nbins_aerosol ) )
1145	ALLOCATE( surf_def_h(l)%amsws( 1:surf_def_h(l)%ns, nbins_aerosol*ncomponents_mass ) )
1146	surf_def_h(l)%answs = 0.0_wp
1147	surf_def_h(l)%amsws = 0.0_wp
1148	ENDDO
1149	!
1150	!-- Horizontal surfaces: natural type
1151	ALLOCATE( surf_lsm_h%answs( 1:surf_lsm_h%ns, nbins_aerosol ) )
1152	ALLOCATE( surf_lsm_h%amsws( 1:surf_lsm_h%ns, nbins_aerosol*ncomponents_mass ) )
1153	surf_lsm_h%answs = 0.0_wp
1154	surf_lsm_h%amsws = 0.0_wp
1155	!
1156	!-- Horizontal surfaces: urban type
1157	ALLOCATE( surf_usm_h%answs( 1:surf_usm_h%ns, nbins_aerosol ) )
1158	ALLOCATE( surf_usm_h%amsws( 1:surf_usm_h%ns, nbins_aerosol*ncomponents_mass ) )
1159	surf_usm_h%answs = 0.0_wp
1160	surf_usm_h%amsws = 0.0_wp
1161
1162	!
1163	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and westward (l=3) facing
1164	DO l = 0, 3
1165	ALLOCATE( surf_def_v(l)%answs( 1:surf_def_v(l)%ns, nbins_aerosol ) )
1166	surf_def_v(l)%answs = 0.0_wp
1167	ALLOCATE( surf_def_v(l)%amsws( 1:surf_def_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1168	surf_def_v(l)%amsws = 0.0_wp
1169
1170	ALLOCATE( surf_lsm_v(l)%answs( 1:surf_lsm_v(l)%ns, nbins_aerosol ) )
1171	surf_lsm_v(l)%answs = 0.0_wp
1172	ALLOCATE( surf_lsm_v(l)%amsws( 1:surf_lsm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1173	surf_lsm_v(l)%amsws = 0.0_wp
1174
1175	ALLOCATE( surf_usm_v(l)%answs( 1:surf_usm_v(l)%ns, nbins_aerosol ) )
1176	surf_usm_v(l)%answs = 0.0_wp
1177	ALLOCATE( surf_usm_v(l)%amsws( 1:surf_usm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1178	surf_usm_v(l)%amsws = 0.0_wp
1179
1180	ENDDO
1181
1182	!
1183	!-- Concentration of gaseous tracers (1. SO4, 2. HNO3, 3. NH3, 4. OCNV, 5. OCSV)
1184	!-- (number concentration (#/m3) )
1185	!
1186	!-- If chemistry is on, read gas phase concentrations from there. Otherwise,
1187	!-- allocate salsa_gas array.
1188
1189	IF ( air_chemistry ) THEN
1190	DO lsp = 1, nvar
1191	SELECT CASE ( TRIM( chem_species(lsp)%name ) )
1192	CASE ( 'H2SO4', 'h2so4' )
1193	gases_available = gases_available + 1
1194	gas_index_chem(1) = lsp
1195	CASE ( 'HNO3', 'hno3' )
1196	gases_available = gases_available + 1
1197	gas_index_chem(2) = lsp
1198	CASE ( 'NH3', 'nh3' )
1199	gases_available = gases_available + 1
1200	gas_index_chem(3) = lsp
1201	CASE ( 'OCNV', 'ocnv' )
1202	gases_available = gases_available + 1
1203	gas_index_chem(4) = lsp
1204	CASE ( 'OCSV', 'ocsv' )
1205	gases_available = gases_available + 1
1206	gas_index_chem(5) = lsp
1207	END SELECT
1208	ENDDO
1209
1210	IF ( gases_available == ngases_salsa ) THEN
1211	salsa_gases_from_chem = .TRUE.
1212	ELSE
1213	WRITE( message_string, * ) 'SALSA is run together with chemistry but not all gaseous '// &
1214	'components are provided by kpp (H2SO4, HNO3, NH3, OCNV, OCSV)'
1215	CALL message( 'check_parameters', 'PA0599', 1, 2, 0, 6, 0 )
1216	ENDIF
1217
1218	ELSE
1219
1220	ALLOCATE( salsa_gas(ngases_salsa) )
1221	ALLOCATE( gconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1222	gconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1223	gconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa) )
1224	gconc_1 = 0.0_wp
1225	gconc_2 = 0.0_wp
1226	gconc_3 = 0.0_wp
1227
1228	DO i = 1, ngases_salsa
1229	salsa_gas(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,i)
1230	salsa_gas(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,i)
1231	salsa_gas(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_3(:,:,:,i)
1232	ALLOCATE( salsa_gas(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1233	salsa_gas(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1234	salsa_gas(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1235	salsa_gas(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1236	salsa_gas(i)%init(nzb:nzt+1), &
1237	salsa_gas(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1238	ENDDO
1239	!
1240	!-- Surface fluxes: gtsws = gaseous tracer flux
1241	!
1242	!-- Horizontal surfaces: default type
1243	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1244	ALLOCATE( surf_def_h(l)%gtsws( 1:surf_def_h(l)%ns, ngases_salsa ) )
1245	surf_def_h(l)%gtsws = 0.0_wp
1246	ENDDO
1247	!-- Horizontal surfaces: natural type
1248	ALLOCATE( surf_lsm_h%gtsws( 1:surf_lsm_h%ns, ngases_salsa ) )
1249	surf_lsm_h%gtsws = 0.0_wp
1250	!-- Horizontal surfaces: urban type
1251	ALLOCATE( surf_usm_h%gtsws( 1:surf_usm_h%ns, ngases_salsa ) )
1252	surf_usm_h%gtsws = 0.0_wp
1253	!
1254	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and
1255	!-- westward (l=3) facing
1256	DO l = 0, 3
1257	ALLOCATE( surf_def_v(l)%gtsws( 1:surf_def_v(l)%ns, ngases_salsa ) )
1258	surf_def_v(l)%gtsws = 0.0_wp
1259	ALLOCATE( surf_lsm_v(l)%gtsws( 1:surf_lsm_v(l)%ns, ngases_salsa ) )
1260	surf_lsm_v(l)%gtsws = 0.0_wp
1261	ALLOCATE( surf_usm_v(l)%gtsws( 1:surf_usm_v(l)%ns, ngases_salsa ) )
1262	surf_usm_v(l)%gtsws = 0.0_wp
1263	ENDDO
1264	ENDIF
1265
1266	IF ( ws_scheme_sca ) THEN
1267
1268	IF ( salsa ) THEN
1269	ALLOCATE( sums_salsa_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1270	sums_salsa_ws_l = 0.0_wp
1271	ENDIF
1272
1273	ENDIF
1274
1275	END SUBROUTINE salsa_init_arrays
1276
1277	!------------------------------------------------------------------------------!
1278	! Description:
1279	! ------------
1280	!> Initialization of SALSA. Based on salsa_initialize in UCLALES-SALSA.
1281	!> Subroutines salsa_initialize, SALSAinit and DiagInitAero in UCLALES-SALSA are
1282	!> also merged here.
1283	!------------------------------------------------------------------------------!
1284	SUBROUTINE salsa_init
1285
1286	IMPLICIT NONE
1287
1288	INTEGER(iwp) :: i !<
1289	INTEGER(iwp) :: ib !< loop index for aerosol number bins
1290	INTEGER(iwp) :: ic !< loop index for aerosol mass bins
1291	INTEGER(iwp) :: ig !< loop index for gases
1292	INTEGER(iwp) :: ii !< index for indexing
1293	INTEGER(iwp) :: j !<
1294
1295	CALL location_message( 'initializing salsa (sectional aerosol module )', .TRUE. )
1296
1297	bin_low_limits = 0.0_wp
1298	k_topo_top = 0
1299	nsect = 0.0_wp
1300	massacc = 1.0_wp
1301
1302	!
1303	!-- Indices for chemical components used (-1 = not used)
1304	ii = 0
1305	IF ( is_used( prtcl, 'SO4' ) ) THEN
1306	index_so4 = get_index( prtcl,'SO4' )
1307	ii = ii + 1
1308	ENDIF
1309	IF ( is_used( prtcl,'OC' ) ) THEN
1310	index_oc = get_index(prtcl, 'OC')
1311	ii = ii + 1
1312	ENDIF
1313	IF ( is_used( prtcl, 'BC' ) ) THEN
1314	index_bc = get_index( prtcl, 'BC' )
1315	ii = ii + 1
1316	ENDIF
1317	IF ( is_used( prtcl, 'DU' ) ) THEN
1318	index_du = get_index( prtcl, 'DU' )
1319	ii = ii + 1
1320	ENDIF
1321	IF ( is_used( prtcl, 'SS' ) ) THEN
1322	index_ss = get_index( prtcl, 'SS' )
1323	ii = ii + 1
1324	ENDIF
1325	IF ( is_used( prtcl, 'NO' ) ) THEN
1326	index_no = get_index( prtcl, 'NO' )
1327	ii = ii + 1
1328	ENDIF
1329	IF ( is_used( prtcl, 'NH' ) ) THEN
1330	index_nh = get_index( prtcl, 'NH' )
1331	ii = ii + 1
1332	ENDIF
1333	!
1334	!-- All species must be known
1335	IF ( ii /= ncc ) THEN
1336	message_string = 'Unknown aerosol species/component(s) given in the initialization'
1337	CALL message( 'salsa_mod: salsa_init', 'PA0600', 1, 2, 0, 6, 0 )
1338	ENDIF
1339	!
1340	!-- Partition and dissolutional growth by gaseous HNO3 and NH3
1341	IF ( index_no > 0 .AND. index_nh > 0 .AND. index_so4 > 0 ) lspartition = .TRUE.
1342	!
1343	!-- Initialise
1344	!
1345	!-- Aerosol size distribution (TYPE t_section)
1346	aero(:)%dwet = 1.0E-10_wp
1347	aero(:)%veqh2o = 1.0E-10_wp
1348	aero(:)%numc = nclim
1349	aero(:)%core = 1.0E-10_wp
1350	DO ic = 1, maxspec+1 ! 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
1351	aero(:)%volc(ic) = 0.0_wp
1352	ENDDO
1353
1354	IF ( nldepo ) sedim_vd = 0.0_wp
1355
1356	DO ib = 1, nbins_aerosol
1357	IF ( .NOT. read_restart_data_salsa ) aerosol_number(ib)%conc = nclim
1358	aerosol_number(ib)%conc_p = 0.0_wp
1359	aerosol_number(ib)%tconc_m = 0.0_wp
1360	aerosol_number(ib)%flux_s = 0.0_wp
1361	aerosol_number(ib)%diss_s = 0.0_wp
1362	aerosol_number(ib)%flux_l = 0.0_wp
1363	aerosol_number(ib)%diss_l = 0.0_wp
1364	aerosol_number(ib)%init = nclim
1365	aerosol_number(ib)%sums_ws_l = 0.0_wp
1366	ENDDO
1367	DO ic = 1, ncomponents_mass*nbins_aerosol
1368	IF ( .NOT. read_restart_data_salsa ) aerosol_mass(ic)%conc = mclim
1369	aerosol_mass(ic)%conc_p = 0.0_wp
1370	aerosol_mass(ic)%tconc_m = 0.0_wp
1371	aerosol_mass(ic)%flux_s = 0.0_wp
1372	aerosol_mass(ic)%diss_s = 0.0_wp
1373	aerosol_mass(ic)%flux_l = 0.0_wp
1374	aerosol_mass(ic)%diss_l = 0.0_wp
1375	aerosol_mass(ic)%init = mclim
1376	aerosol_mass(ic)%sums_ws_l = 0.0_wp
1377	ENDDO
1378
1379	IF ( .NOT. salsa_gases_from_chem ) THEN
1380	DO ig = 1, ngases_salsa
1381	salsa_gas(ig)%conc_p = 0.0_wp
1382	salsa_gas(ig)%tconc_m = 0.0_wp
1383	salsa_gas(ig)%flux_s = 0.0_wp
1384	salsa_gas(ig)%diss_s = 0.0_wp
1385	salsa_gas(ig)%flux_l = 0.0_wp
1386	salsa_gas(ig)%diss_l = 0.0_wp
1387	salsa_gas(ig)%sums_ws_l = 0.0_wp
1388	ENDDO
1389	IF ( .NOT. read_restart_data_salsa ) THEN
1390	salsa_gas(1)%conc = h2so4_init
1391	salsa_gas(2)%conc = hno3_init
1392	salsa_gas(3)%conc = nh3_init
1393	salsa_gas(4)%conc = ocnv_init
1394	salsa_gas(5)%conc = ocsv_init
1395	ENDIF
1396	!
1397	!-- Set initial value for gas compound tracers and initial values
1398	salsa_gas(1)%init = h2so4_init
1399	salsa_gas(2)%init = hno3_init
1400	salsa_gas(3)%init = nh3_init
1401	salsa_gas(4)%init = ocnv_init
1402	salsa_gas(5)%init = ocsv_init
1403	ENDIF
1404	!
1405	!-- Aerosol radius in each bin: dry and wet (m)
1406	ra_dry = 1.0E-10_wp
1407	!
1408	!-- Initialise aerosol tracers
1409	aero(:)%vhilim = 0.0_wp
1410	aero(:)%vlolim = 0.0_wp
1411	aero(:)%vratiohi = 0.0_wp
1412	aero(:)%vratiolo = 0.0_wp
1413	aero(:)%dmid = 0.0_wp
1414	!
1415	!-- Initialise the sectional particle size distribution
1416	CALL set_sizebins
1417	!
1418	!-- Initialise location-dependent aerosol size distributions and chemical compositions:
1419	CALL aerosol_init
1420	!
1421	!-- Initalisation run of SALSA + calculate the vertical top index of the topography
1422	DO i = nxl, nxr
1423	DO j = nys, nyn
1424
1425	k_topo_top(j,i) = MAXLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,j,i), 12 ) ), DIM = 1 ) - 1
1426
1427	CALL salsa_driver( i, j, 1 )
1428	CALL salsa_diagnostics( i, j )
1429	ENDDO
1430	ENDDO
1431	!
1432	!-- Initialise the deposition scheme and surface types
1433	IF ( nldepo ) CALL init_deposition
1434
1435	IF ( salsa_emission_mode /= 'no_emission' ) THEN
1436	!
1437	!-- Read in and initialize emissions
1438	CALL salsa_emission_setup( .TRUE. )
1439	IF ( .NOT. salsa_gases_from_chem .AND. salsa_emission_mode == 'read_from_file' ) THEN
1440	CALL salsa_gas_emission_setup( .TRUE. )
1441	ENDIF
1442	ENDIF
1443
1444	CALL location_message( 'finished', .TRUE. )
1445
1446	END SUBROUTINE salsa_init
1447
1448	!------------------------------------------------------------------------------!
1449	! Description:
1450	! ------------
1451	!> Initializes particle size distribution grid by calculating size bin limits
1452	!> and mid-size for dry particles in each bin. Called from salsa_initialize
1453	!> (only at the beginning of simulation).
1454	!> Size distribution described using:
1455	!> 1) moving center method (subranges 1 and 2)
1456	!> (Jacobson, Atmos. Env., 31, 131-144, 1997)
1457	!> 2) fixed sectional method (subrange 3)
1458	!> Size bins in each subrange are spaced logarithmically
1459	!> based on given subrange size limits and bin number.
1460	!
1461	!> Mona changed 06/2017: Use geometric mean diameter to describe the mean
1462	!> particle diameter in a size bin, not the arithmeric mean which clearly
1463	!> overestimates the total particle volume concentration.
1464	!
1465	!> Coded by:
1466	!> Hannele Korhonen (FMI) 2005
1467	!> Harri Kokkola (FMI) 2006
1468	!
1469	!> Bug fixes for box model + updated for the new aerosol datatype:
1470	!> Juha Tonttila (FMI) 2014
1471	!------------------------------------------------------------------------------!
1472	SUBROUTINE set_sizebins
1473
1474	IMPLICIT NONE
1475
1476	INTEGER(iwp) :: cc !< running index
1477	INTEGER(iwp) :: dd !< running index
1478
1479	REAL(wp) :: ratio_d !< ratio of the upper and lower diameter of subranges
1480	!
1481	!-- vlolim&vhilim: min & max dry volumes [fxm]
1482	!-- dmid: bin mid dry diameter (m)
1483	!-- vratiolo&vratiohi: volume ratio between the center and low/high limit
1484	!
1485	!-- 1) Size subrange 1:
1486	ratio_d = reglim(2) / reglim(1) ! section spacing (m)
1487	DO cc = start_subrange_1a, end_subrange_1a
1488	aero(cc)%vlolim = api6 * ( reglim(1) * ratio_d( REAL( cc-1 ) / nbin(1) ) )3
1489	aero(cc)%vhilim = api6 * ( reglim(1) * ratio_d( REAL( cc ) / nbin(1) ) )3
1490	aero(cc)%dmid = SQRT( ( aero(cc)%vhilim / api6 )*0.33333333_wp &
1491	( aero(cc)%vlolim / api6 )**0.33333333_wp )
1492	aero(cc)%vratiohi = aero(cc)%vhilim / ( api6 * aero(cc)%dmid**3 )
1493	aero(cc)%vratiolo = aero(cc)%vlolim / ( api6 * aero(cc)%dmid**3 )
1494	ENDDO
1495	!
1496	!-- 2) Size subrange 2:
1497	!-- 2.1) Sub-subrange 2a: high hygroscopicity
1498	ratio_d = reglim(3) / reglim(2) ! section spacing
1499	DO dd = start_subrange_2a, end_subrange_2a
1500	cc = dd - start_subrange_2a
1501	aero(dd)%vlolim = api6 * ( reglim(2) * ratio_d( REAL( cc ) / nbin(2) ) )3
1502	aero(dd)%vhilim = api6 * ( reglim(2) * ratio_d( REAL( cc+1 ) / nbin(2) ) )3
1503	aero(dd)%dmid = SQRT( ( aero(dd)%vhilim / api6 )*0.33333333_wp &
1504	( aero(dd)%vlolim / api6 )**0.33333333_wp )
1505	aero(dd)%vratiohi = aero(dd)%vhilim / ( api6 * aero(dd)%dmid**3 )
1506	aero(dd)%vratiolo = aero(dd)%vlolim / ( api6 * aero(dd)%dmid**3 )
1507	ENDDO
1508	!
1509	!-- 2.2) Sub-subrange 2b: low hygroscopicity
1510	IF ( .NOT. no_insoluble ) THEN
1511	aero(start_subrange_2b:end_subrange_2b)%vlolim = aero(start_subrange_2a:end_subrange_2a)%vlolim
1512	aero(start_subrange_2b:end_subrange_2b)%vhilim = aero(start_subrange_2a:end_subrange_2a)%vhilim
1513	aero(start_subrange_2b:end_subrange_2b)%dmid = aero(start_subrange_2a:end_subrange_2a)%dmid
1514	aero(start_subrange_2b:end_subrange_2b)%vratiohi = aero(start_subrange_2a:end_subrange_2a)%vratiohi
1515	aero(start_subrange_2b:end_subrange_2b)%vratiolo = aero(start_subrange_2a:end_subrange_2a)%vratiolo
1516	ENDIF
1517	!
1518	!-- Initialize the wet diameter with the bin dry diameter to avoid numerical problems later
1519	aero(:)%dwet = aero(:)%dmid
1520	!
1521	!-- Save bin limits (lower diameter) to be delivered to PALM if needed
1522	DO cc = 1, nbins_aerosol
1523	bin_low_limits(cc) = ( aero(cc)%vlolim / api6 )**0.33333333_wp
1524	ENDDO
1525
1526	END SUBROUTINE set_sizebins
1527
1528	!------------------------------------------------------------------------------!
1529	! Description:
1530	! ------------
1531	!> Initilize altitude-dependent aerosol size distributions and compositions.
1532	!>
1533	!> Mona added 06/2017: Correct the number and mass concentrations by normalizing
1534	!< by the given total number and mass concentration.
1535	!>
1536	!> Tomi Raatikainen, FMI, 29.2.2016
1537	!------------------------------------------------------------------------------!
1538	SUBROUTINE aerosol_init
1539
1540	USE netcdf_data_input_mod, &
1541	ONLY: get_attribute, get_variable, netcdf_data_input_get_dimension_length, open_read_file
1542
1543	IMPLICIT NONE
1544
1545	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
1546
1547	INTEGER(iwp) :: ee !< index: end
1548	INTEGER(iwp) :: i !< loop index: x-direction
1549	INTEGER(iwp) :: ib !< loop index: size bins
1550	INTEGER(iwp) :: ic !< loop index: chemical components
1551	INTEGER(iwp) :: id_dyn !< NetCDF id of PIDS_DYNAMIC_SALSA
1552	INTEGER(iwp) :: ig !< loop index: gases
1553	INTEGER(iwp) :: j !< loop index: y-direction
1554	INTEGER(iwp) :: k !< loop index: z-direction
1555	INTEGER(iwp) :: lod_aero !< level of detail of inital aerosol concentrations
1556	INTEGER(iwp) :: pr_nbins !< Number of aerosol size bins in file
1557	INTEGER(iwp) :: pr_ncc !< Number of aerosol chemical components in file
1558	INTEGER(iwp) :: pr_nz !< Number of vertical grid-points in file
1559	INTEGER(iwp) :: prunmode !< running mode of SALSA
1560	INTEGER(iwp) :: ss !< index: start
1561
1562	INTEGER(iwp), DIMENSION(maxspec) :: cc_input_to_model
1563
1564	LOGICAL :: netcdf_extend = .FALSE. !< Flag: netcdf file exists
1565
1566	REAL(wp) :: flag !< flag to mask topography grid points
1567
1568	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
1569	REAL(wp), DIMENSION(nbins_aerosol) :: nsect !< size distribution (#/m3)
1570
1571	REAL(wp), DIMENSION(0:nz+1) :: pnf2a !< number fraction in 2a
1572	REAL(wp), DIMENSION(0:nz+1) :: pmfoc1a !< mass fraction of OC in 1a
1573
1574	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol) :: pndist !< size dist as a function of height (#/m3)
1575	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2a !< mass distributions in subrange 2a
1576	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2b !< mass distributions in subrange 2b
1577
1578	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_dmid !< vertical profile of aerosol bin diameters
1579	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_z !< z levels of profiles
1580
1581	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_a !< mass fraction: a
1582	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_b !< and b
1583
1584	cc_input_to_model = 0
1585	prunmode = 1
1586	!
1587	!-- Bin mean aerosol particle volume (m3)
1588	core(:) = 0.0_wp
1589	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
1590	!
1591	!-- Set concentrations to zero
1592	nsect(:) = 0.0_wp
1593	pndist(:,:) = 0.0_wp
1594	pnf2a(:) = nf2a
1595	pmf2a(:,:) = 0.0_wp
1596	pmf2b(:,:) = 0.0_wp
1597	pmfoc1a(:) = 0.0_wp
1598
1599	IF ( isdtyp == 1 ) THEN
1600	!
1601	!-- Read input profiles from PIDS_DYNAMIC_SALSA
1602	#if defined( __netcdf )
1603	!
1604	!-- Location-dependent size distributions and compositions.
1605	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1606	IF ( netcdf_extend ) THEN
1607	!
1608	!-- Open file in read-only mode
1609	CALL open_read_file( input_file_dynamic // TRIM( coupling_char ), id_dyn )
1610	!
1611	!-- Inquire dimensions:
1612	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_nz, 'z' )
1613	IF ( pr_nz /= nz ) THEN
1614	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
1615	'the number of numeric grid points.'
1616	CALL message( 'aerosol_init', 'PA0601', 1, 2, 0, 6, 0 )
1617	ENDIF
1618	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_ncc, 'composition_index' )
1619	!
1620	!-- Allocate memory
1621	ALLOCATE( pr_z(1:pr_nz), pr_mass_fracs_a(nzb:nzt+1,pr_ncc), &
1622	pr_mass_fracs_b(nzb:nzt+1,pr_ncc) )
1623	pr_mass_fracs_a = 0.0_wp
1624	pr_mass_fracs_b = 0.0_wp
1625	!
1626	!-- Read vertical levels
1627	CALL get_variable( id_dyn, 'z', pr_z )
1628	!
1629	!-- Read name and index of chemical components
1630	CALL get_variable( id_dyn, 'composition_name', cc_name, pr_ncc )
1631	DO ic = 1, pr_ncc
1632	SELECT CASE ( TRIM( cc_name(ic) ) )
1633	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
1634	cc_input_to_model(1) = ic
1635	CASE ( 'OC', 'oc' )
1636	cc_input_to_model(2) = ic
1637	CASE ( 'BC', 'bc' )
1638	cc_input_to_model(3) = ic
1639	CASE ( 'DU', 'du' )
1640	cc_input_to_model(4) = ic
1641	CASE ( 'SS', 'ss' )
1642	cc_input_to_model(5) = ic
1643	CASE ( 'HNO3', 'hno3', 'NO', 'no' )
1644	cc_input_to_model(6) = ic
1645	CASE ( 'NH3', 'nh3', 'NH', 'nh' )
1646	cc_input_to_model(7) = ic
1647	END SELECT
1648	ENDDO
1649
1650	IF ( SUM( cc_input_to_model ) == 0 ) THEN
1651	message_string = 'None of the aerosol chemical components in ' // TRIM( &
1652	input_file_dynamic ) // ' correspond to ones applied in SALSA.'
1653	CALL message( 'salsa_mod: aerosol_init', 'PA0602', 2, 2, 0, 6, 0 )
1654	ENDIF
1655	!
1656	!-- Vertical profiles of mass fractions of different chemical components:
1657	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_a', pr_mass_fracs_a, &
1658	0, pr_ncc-1, 0, pr_nz-1 )
1659	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_b', pr_mass_fracs_b, &
1660	0, pr_ncc-1, 0, pr_nz-1 )
1661	!
1662	!-- Match the input data with the chemical composition applied in the model
1663	DO ic = 1, maxspec
1664	ss = cc_input_to_model(ic)
1665	IF ( ss == 0 ) CYCLE
1666	pmf2a(nzb+1:nzt+1,ic) = pr_mass_fracs_a(nzb:nzt,ss)
1667	pmf2b(nzb+1:nzt+1,ic) = pr_mass_fracs_b(nzb:nzt,ss)
1668	ENDDO
1669	!
1670	!-- Aerosol concentrations: lod=1 (total PM) or lod=2 (sectional number size distribution)
1671	CALL get_attribute( id_dyn, 'lod', lod_aero, .FALSE., 'init_atmosphere_aerosol' )
1672	IF ( lod_aero /= 2 ) THEN
1673	message_string = 'Currently only lod=2 accepted for init_atmosphere_aerosol'
1674	CALL message( 'salsa_mod: aerosol_init', 'PA0603', 2, 2, 0, 6, 0 )
1675	ELSE
1676	!
1677	!-- Bin mean diameters in the input file
1678	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_nbins, 'Dmid')
1679	IF ( pr_nbins /= nbins_aerosol ) THEN
1680	message_string = 'Number of size bins in init_atmosphere_aerosol does not match ' &
1681	// 'with that applied in the model'
1682	CALL message( 'salsa_mod: aerosol_init', 'PA0604', 2, 2, 0, 6, 0 )
1683	ENDIF
1684
1685	ALLOCATE( pr_dmid(pr_nbins) )
1686	pr_dmid = 0.0_wp
1687
1688	CALL get_variable( id_dyn, 'Dmid', pr_dmid )
1689	!
1690	!-- Check whether the sectional representation conform to the one
1691	!-- applied in the model
1692	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - pr_dmid ) / &
1693	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
1694	message_string = 'Mean diameters of the aerosol size bins ' // TRIM( &
1695	input_file_dynamic ) // ' in do not conform to the sectional '// &
1696	'representation of the model.'
1697	CALL message( 'salsa_mod: aerosol_init', 'PA0605', 2, 2, 0, 6, 0 )
1698	ENDIF
1699	!
1700	!-- Inital aerosol concentrations
1701	CALL get_variable( id_dyn, 'init_atmosphere_aerosol', pndist(nzb+1:nzt,:), &
1702	0, pr_nbins-1, 0, pr_nz-1 )
1703	ENDIF
1704	!
1705	!-- Set bottom and top boundary condition (Neumann)
1706	pmf2a(nzb,:) = pmf2a(nzb+1,:)
1707	pmf2a(nzt+1,:) = pmf2a(nzt,:)
1708	pmf2b(nzb,:) = pmf2b(nzb+1,:)
1709	pmf2b(nzt+1,:) = pmf2b(nzt,:)
1710	pndist(nzb,:) = pndist(nzb+1,:)
1711	pndist(nzt+1,:) = pndist(nzt,:)
1712
1713	IF ( index_so4 < 0 ) THEN
1714	pmf2a(:,1) = 0.0_wp
1715	pmf2b(:,1) = 0.0_wp
1716	ENDIF
1717	IF ( index_oc < 0 ) THEN
1718	pmf2a(:,2) = 0.0_wp
1719	pmf2b(:,2) = 0.0_wp
1720	ENDIF
1721	IF ( index_bc < 0 ) THEN
1722	pmf2a(:,3) = 0.0_wp
1723	pmf2b(:,3) = 0.0_wp
1724	ENDIF
1725	IF ( index_du < 0 ) THEN
1726	pmf2a(:,4) = 0.0_wp
1727	pmf2b(:,4) = 0.0_wp
1728	ENDIF
1729	IF ( index_ss < 0 ) THEN
1730	pmf2a(:,5) = 0.0_wp
1731	pmf2b(:,5) = 0.0_wp
1732	ENDIF
1733	IF ( index_no < 0 ) THEN
1734	pmf2a(:,6) = 0.0_wp
1735	pmf2b(:,6) = 0.0_wp
1736	ENDIF
1737	IF ( index_nh < 0 ) THEN
1738	pmf2a(:,7) = 0.0_wp
1739	pmf2b(:,7) = 0.0_wp
1740	ENDIF
1741
1742	IF ( SUM( pmf2a ) < 0.00001_wp .AND. SUM( pmf2b ) < 0.00001_wp ) THEN
1743	message_string = 'Error in initialising mass fractions of chemical components. ' // &
1744	'Check that all chemical components are included in parameter file!'
1745	CALL message( 'salsa_mod: aerosol_init', 'PA0606', 2, 2, 0, 6, 0 )
1746	ENDIF
1747	!
1748	!-- Then normalise the mass fraction so that SUM = 1
1749	DO k = nzb, nzt+1
1750	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
1751	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
1752	ENDDO
1753
1754	DEALLOCATE( pr_z, pr_mass_fracs_a, pr_mass_fracs_b )
1755
1756	ELSE
1757	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
1758	' for SALSA missing!'
1759	CALL message( 'salsa_mod: aerosol_init', 'PA0607', 1, 2, 0, 6, 0 )
1760
1761	ENDIF ! netcdf_extend
1762
1763	#else
1764	message_string = 'isdtyp = 1 but preprocessor directive __netcdf is not used in compiling!'
1765	CALL message( 'salsa_mod: aerosol_init', 'PA0608', 1, 2, 0, 6, 0 )
1766
1767	#endif
1768
1769	ELSEIF ( isdtyp == 0 ) THEN
1770	!
1771	!-- Mass fractions for species in a and b-bins
1772	IF ( index_so4 > 0 ) THEN
1773	pmf2a(:,1) = mass_fracs_a(index_so4)
1774	pmf2b(:,1) = mass_fracs_b(index_so4)
1775	ENDIF
1776	IF ( index_oc > 0 ) THEN
1777	pmf2a(:,2) = mass_fracs_a(index_oc)
1778	pmf2b(:,2) = mass_fracs_b(index_oc)
1779	ENDIF
1780	IF ( index_bc > 0 ) THEN
1781	pmf2a(:,3) = mass_fracs_a(index_bc)
1782	pmf2b(:,3) = mass_fracs_b(index_bc)
1783	ENDIF
1784	IF ( index_du > 0 ) THEN
1785	pmf2a(:,4) = mass_fracs_a(index_du)
1786	pmf2b(:,4) = mass_fracs_b(index_du)
1787	ENDIF
1788	IF ( index_ss > 0 ) THEN
1789	pmf2a(:,5) = mass_fracs_a(index_ss)
1790	pmf2b(:,5) = mass_fracs_b(index_ss)
1791	ENDIF
1792	IF ( index_no > 0 ) THEN
1793	pmf2a(:,6) = mass_fracs_a(index_no)
1794	pmf2b(:,6) = mass_fracs_b(index_no)
1795	ENDIF
1796	IF ( index_nh > 0 ) THEN
1797	pmf2a(:,7) = mass_fracs_a(index_nh)
1798	pmf2b(:,7) = mass_fracs_b(index_nh)
1799	ENDIF
1800	DO k = nzb, nzt+1
1801	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
1802	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
1803	ENDDO
1804
1805	CALL size_distribution( n_lognorm, dpg, sigmag, nsect )
1806	!
1807	!-- Normalize by the given total number concentration
1808	nsect = nsect * SUM( n_lognorm ) / SUM( nsect )
1809	DO ib = start_subrange_1a, end_subrange_2b
1810	pndist(:,ib) = nsect(ib)
1811	ENDDO
1812	ENDIF
1813
1814	IF ( igctyp == 1 ) THEN
1815	!
1816	!-- Read input profiles from PIDS_CHEM
1817	#if defined( __netcdf )
1818	!
1819	!-- Location-dependent size distributions and compositions.
1820	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1821	IF ( netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
1822	!
1823	!-- Open file in read-only mode
1824	CALL open_read_file( input_file_dynamic // TRIM( coupling_char ), id_dyn )
1825	!
1826	!-- Inquire dimensions:
1827	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_nz, 'z' )
1828	IF ( pr_nz /= nz ) THEN
1829	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
1830	'the number of numeric grid points.'
1831	CALL message( 'aerosol_init', 'PA0609', 1, 2, 0, 6, 0 )
1832	ENDIF
1833	!
1834	!-- Read vertical profiles of gases:
1835	CALL get_variable( id_dyn, 'init_atmosphere_h2so4', salsa_gas(1)%init(nzb+1:nzt) )
1836	CALL get_variable( id_dyn, 'init_atmosphere_hno3', salsa_gas(2)%init(nzb+1:nzt) )
1837	CALL get_variable( id_dyn, 'init_atmosphere_nh3', salsa_gas(3)%init(nzb+1:nzt) )
1838	CALL get_variable( id_dyn, 'init_atmosphere_ocnv', salsa_gas(4)%init(nzb+1:nzt) )
1839	CALL get_variable( id_dyn, 'init_atmosphere_ocsv', salsa_gas(5)%init(nzb+1:nzt) )
1840	!
1841	!-- Set Neumann top and surface boundary condition for initial + initialise concentrations
1842	DO ig = 1, ngases_salsa
1843	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
1844	salsa_gas(ig)%init(nzt+1) = salsa_gas(ig)%init(nzt)
1845	DO k = nzb, nzt+1
1846	salsa_gas(ig)%conc(k,:,:) = salsa_gas(ig)%init(k)
1847	ENDDO
1848	ENDDO
1849
1850	ELSEIF ( .NOT. netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
1851	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
1852	' for SALSA missing!'
1853	CALL message( 'salsa_mod: aerosol_init', 'PA0610', 1, 2, 0, 6, 0 )
1854	ENDIF ! netcdf_extend
1855	#else
1856	message_string = 'igctyp = 1 but preprocessor directive __netcdf is not used in compiling!'
1857	CALL message( 'salsa_mod: aerosol_init', 'PA0611', 1, 2, 0, 6, 0 )
1858
1859	#endif
1860
1861	ENDIF
1862	!
1863	!-- Both SO4 and OC are included, so use the given mass fractions
1864	IF ( index_oc > 0 .AND. index_so4 > 0 ) THEN
1865	pmfoc1a(:) = pmf2a(:,2) / ( pmf2a(:,2) + pmf2a(:,1) ) ! Normalize
1866	!
1867	!-- Pure organic carbon
1868	ELSEIF ( index_oc > 0 ) THEN
1869	pmfoc1a(:) = 1.0_wp
1870	!
1871	!-- Pure SO4
1872	ELSEIF ( index_so4 > 0 ) THEN
1873	pmfoc1a(:) = 0.0_wp
1874
1875	ELSE
1876	message_string = 'Either OC or SO4 must be active for aerosol region 1a!'
1877	CALL message( 'salsa_mod: aerosol_init', 'PA0612', 1, 2, 0, 6, 0 )
1878	ENDIF
1879
1880	!
1881	!-- Initialize concentrations
1882	DO i = nxlg, nxrg
1883	DO j = nysg, nyng
1884	DO k = nzb, nzt+1
1885	!
1886	!-- Predetermine flag to mask topography
1887	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
1888	!
1889	!-- a) Number concentrations
1890	!-- Region 1:
1891	DO ib = start_subrange_1a, end_subrange_1a
1892	aerosol_number(ib)%conc(k,j,i) = pndist(k,ib) * flag
1893	IF ( prunmode == 1 ) THEN
1894	aerosol_number(ib)%init = pndist(:,ib)
1895	ENDIF
1896	ENDDO
1897	!
1898	!-- Region 2:
1899	IF ( nreg > 1 ) THEN
1900	DO ib = start_subrange_2a, end_subrange_2a
1901	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, pnf2a(k) ) * pndist(k,ib) * flag
1902	IF ( prunmode == 1 ) THEN
1903	aerosol_number(ib)%init = MAX( 0.0_wp, nf2a ) * pndist(:,ib)
1904	ENDIF
1905	ENDDO
1906	IF ( .NOT. no_insoluble ) THEN
1907	DO ib = start_subrange_2b, end_subrange_2b
1908	IF ( pnf2a(k) < 1.0_wp ) THEN
1909	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pnf2a(k) ) * &
1910	pndist(k,ib) * flag
1911	IF ( prunmode == 1 ) THEN
1912	aerosol_number(ib)%init = MAX( 0.0_wp, 1.0_wp - nf2a ) * pndist(:,ib)
1913	ENDIF
1914	ENDIF
1915	ENDDO
1916	ENDIF
1917	ENDIF
1918	!
1919	!-- b) Aerosol mass concentrations
1920	!-- bin subrange 1: done here separately due to the SO4/OC convention
1921	!
1922	!-- SO4:
1923	IF ( index_so4 > 0 ) THEN
1924	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a !< start
1925	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a !< end
1926	ib = start_subrange_1a
1927	DO ic = ss, ee
1928	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib)&
1929	* core(ib) * arhoh2so4 * flag
1930	IF ( prunmode == 1 ) THEN
1931	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib) &
1932	* core(ib) * arhoh2so4
1933	ENDIF
1934	ib = ib+1
1935	ENDDO
1936	ENDIF
1937	!
1938	!-- OC:
1939	IF ( index_oc > 0 ) THEN
1940	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a !< start
1941	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a !< end
1942	ib = start_subrange_1a
1943	DO ic = ss, ee
1944	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
1945	core(ib) * arhooc * flag
1946	IF ( prunmode == 1 ) THEN
1947	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
1948	core(ib) * arhooc
1949	ENDIF
1950	ib = ib+1
1951	ENDDO
1952	ENDIF
1953	ENDDO !< k
1954
1955	prunmode = 3 ! Init only once
1956
1957	ENDDO !< j
1958	ENDDO !< i
1959
1960	!
1961	!-- c) Aerosol mass concentrations
1962	!-- bin subrange 2:
1963	IF ( nreg > 1 ) THEN
1964
1965	IF ( index_so4 > 0 ) THEN
1966	CALL set_aero_mass( index_so4, pmf2a(:,1), pmf2b(:,1), pnf2a, pndist, core, arhoh2so4 )
1967	ENDIF
1968	IF ( index_oc > 0 ) THEN
1969	CALL set_aero_mass( index_oc, pmf2a(:,2), pmf2b(:,2), pnf2a, pndist, core, arhooc )
1970	ENDIF
1971	IF ( index_bc > 0 ) THEN
1972	CALL set_aero_mass( index_bc, pmf2a(:,3), pmf2b(:,3), pnf2a, pndist, core, arhobc )
1973	ENDIF
1974	IF ( index_du > 0 ) THEN
1975	CALL set_aero_mass( index_du, pmf2a(:,4), pmf2b(:,4), pnf2a, pndist, core, arhodu )
1976	ENDIF
1977	IF ( index_ss > 0 ) THEN
1978	CALL set_aero_mass( index_ss, pmf2a(:,5), pmf2b(:,5), pnf2a, pndist, core, arhoss )
1979	ENDIF
1980	IF ( index_no > 0 ) THEN
1981	CALL set_aero_mass( index_no, pmf2a(:,6), pmf2b(:,6), pnf2a, pndist, core, arhohno3 )
1982	ENDIF
1983	IF ( index_nh > 0 ) THEN
1984	CALL set_aero_mass( index_nh, pmf2a(:,7), pmf2b(:,7), pnf2a, pndist, core, arhonh3 )
1985	ENDIF
1986
1987	ENDIF
1988
1989	END SUBROUTINE aerosol_init
1990
1991	!------------------------------------------------------------------------------!
1992	! Description:
1993	! ------------
1994	!> Create a lognormal size distribution and discretise to a sectional
1995	!> representation.
1996	!------------------------------------------------------------------------------!
1997	SUBROUTINE size_distribution( in_ntot, in_dpg, in_sigma, psd_sect )
1998
1999	IMPLICIT NONE
2000
2001	INTEGER(iwp) :: ib !< running index: bin
2002	INTEGER(iwp) :: iteration !< running index: iteration
2003
2004	REAL(wp) :: d1 !< particle diameter (m, dummy)
2005	REAL(wp) :: d2 !< particle diameter (m, dummy)
2006	REAL(wp) :: delta_d !< (d2-d1)/10
2007	REAL(wp) :: deltadp !< bin width
2008	REAL(wp) :: dmidi !< ( d1 + d2 ) / 2
2009
2010	REAL(wp), DIMENSION(:), INTENT(in) :: in_dpg !< geometric mean diameter (m)
2011	REAL(wp), DIMENSION(:), INTENT(in) :: in_ntot !< number conc. (#/m3)
2012	REAL(wp), DIMENSION(:), INTENT(in) :: in_sigma !< standard deviation
2013
2014	REAL(wp), DIMENSION(:), INTENT(inout) :: psd_sect !< sectional size distribution
2015
2016	DO ib = start_subrange_1a, end_subrange_2b
2017	psd_sect(ib) = 0.0_wp
2018	!
2019	!-- Particle diameter at the low limit (largest in the bin) (m)
2020	d1 = ( aero(ib)%vlolim / api6 )**0.33333333_wp
2021	!
2022	!-- Particle diameter at the high limit (smallest in the bin) (m)
2023	d2 = ( aero(ib)%vhilim / api6 )**0.33333333_wp
2024	!
2025	!-- Span of particle diameter in a bin (m)
2026	delta_d = 0.1_wp * ( d2 - d1 )
2027	!
2028	!-- Iterate:
2029	DO iteration = 1, 10
2030	d1 = ( aero(ib)%vlolim / api6 )*0.33333333_wp + ( ib - 1) delta_d
2031	d2 = d1 + delta_d
2032	dmidi = 0.5_wp * ( d1 + d2 )
2033	deltadp = LOG10( d2 / d1 )
2034	!
2035	!-- Size distribution
2036	!-- in_ntot = total number, total area, or total volume concentration
2037	!-- in_dpg = geometric-mean number, area, or volume diameter
2038	!-- n(k) = number, area, or volume concentration in a bin
2039	psd_sect(ib) = psd_sect(ib) + SUM( in_ntot * deltadp / ( SQRT( 2.0_wp * pi ) * &
2040	LOG10( in_sigma ) ) * EXP( -LOG10( dmidi / in_dpg )**2.0_wp / &
2041	( 2.0_wp * LOG10( in_sigma ) ** 2.0_wp ) ) )
2042
2043	ENDDO
2044	ENDDO
2045
2046	END SUBROUTINE size_distribution
2047
2048	!------------------------------------------------------------------------------!
2049	! Description:
2050	! ------------
2051	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
2052	!>
2053	!> Tomi Raatikainen, FMI, 29.2.2016
2054	!------------------------------------------------------------------------------!
2055	SUBROUTINE set_aero_mass( ispec, pmf2a, pmf2b, pnf2a, pndist, pcore, prho )
2056
2057	IMPLICIT NONE
2058
2059	INTEGER(iwp) :: ee !< index: end
2060	INTEGER(iwp) :: i !< loop index
2061	INTEGER(iwp) :: ib !< loop index
2062	INTEGER(iwp) :: ic !< loop index
2063	INTEGER(iwp) :: j !< loop index
2064	INTEGER(iwp) :: k !< loop index
2065	INTEGER(iwp) :: prunmode !< 1 = initialise
2066	INTEGER(iwp) :: ss !< index: start
2067
2068	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
2069
2070	REAL(wp) :: flag !< flag to mask topography grid points
2071
2072	REAL(wp), INTENT(in) :: prho !< Aerosol density
2073
2074	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pcore !< Aerosol bin mid core volume
2075	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pnf2a !< Number fraction for 2a
2076	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2a !< Mass distributions for a
2077	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2b !< and b bins
2078
2079	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol), INTENT(in) :: pndist !< Aerosol size distribution
2080
2081	prunmode = 1
2082
2083	DO i = nxlg, nxrg
2084	DO j = nysg, nyng
2085	DO k = nzb, nzt+1
2086	!
2087	!-- Predetermine flag to mask topography
2088	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2089	!
2090	!-- Regime 2a:
2091	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
2092	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
2093	ib = start_subrange_2a
2094	DO ic = ss, ee
2095	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2096	pcore(ib) * prho * flag
2097	IF ( prunmode == 1 ) THEN
2098	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2099	pcore(ib) * prho
2100	ENDIF
2101	ib = ib + 1
2102	ENDDO
2103	!
2104	!-- Regime 2b:
2105	IF ( .NOT. no_insoluble ) THEN
2106	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2b
2107	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2b
2108	ib = start_subrange_2a
2109	DO ic = ss, ee
2110	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) *&
2111	pndist(k,ib) * pcore(ib) * prho * flag
2112	IF ( prunmode == 1 ) THEN
2113	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) * &
2114	pndist(k,ib) * pcore(ib) * prho
2115	ENDIF
2116	ib = ib + 1
2117	ENDDO ! c
2118
2119	ENDIF
2120	ENDDO ! k
2121
2122	prunmode = 3 ! Init only once
2123
2124	ENDDO ! j
2125	ENDDO ! i
2126
2127	END SUBROUTINE set_aero_mass
2128
2129	!------------------------------------------------------------------------------!
2130	! Description:
2131	! ------------
2132	!> Initialise the matching between surface types in LSM and deposition models.
2133	!> Do the matching based on Zhang et al. (2001). Atmos. Environ. 35, 549-560
2134	!> (here referred as Z01).
2135	!------------------------------------------------------------------------------!
2136	SUBROUTINE init_deposition
2137
2138	USE surface_mod, &
2139	ONLY: surf_lsm_h, surf_lsm_v
2140
2141	IMPLICIT NONE
2142
2143	INTEGER(iwp) :: l !< loop index for vertical surfaces
2144
2145	IF ( nldepo_surf .AND. land_surface ) THEN
2146
2147	ALLOCATE( lsm_to_depo_h%match(1:surf_lsm_h%ns) )
2148	lsm_to_depo_h%match = 0
2149	CALL match_lsm_zhang( surf_lsm_h, lsm_to_depo_h%match )
2150
2151	DO l = 0, 3
2152	ALLOCATE( lsm_to_depo_v(l)%match(1:surf_lsm_v(l)%ns) )
2153	lsm_to_depo_v(l)%match = 0
2154	CALL match_lsm_zhang( surf_lsm_v(l), lsm_to_depo_v(l)%match )
2155	ENDDO
2156	ENDIF
2157
2158	IF ( nldepo_pcm ) THEN
2159	SELECT CASE ( depo_pcm_type )
2160	CASE ( 'evergreen_needleleaf' )
2161	depo_pcm_type_num = 1
2162	CASE ( 'evergreen_broadleaf' )
2163	depo_pcm_type_num = 2
2164	CASE ( 'deciduous_needleleaf' )
2165	depo_pcm_type_num = 3
2166	CASE ( 'deciduous_broadleaf' )
2167	depo_pcm_type_num = 4
2168	CASE DEFAULT
2169	message_string = 'depo_pcm_type not set correctly.'
2170	CALL message( 'salsa_mod: init_deposition', 'PA0613', 1, 2, 0, 6, 0 )
2171	END SELECT
2172	ENDIF
2173
2174	END SUBROUTINE init_deposition
2175
2176	!------------------------------------------------------------------------------!
2177	! Description:
2178	! ------------
2179	!> Match the surface types in PALM and Zhang et al. 2001 deposition module
2180	!------------------------------------------------------------------------------!
2181	SUBROUTINE match_lsm_zhang( surf, match_array )
2182
2183	USE surface_mod, &
2184	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
2185
2186	IMPLICIT NONE
2187
2188	INTEGER(iwp) :: m !< index for surface elements
2189	INTEGER(iwp) :: pav_type_palm !< pavement type in PALM
2190	INTEGER(iwp) :: vege_type_palm !< vegetation type in PALM
2191	INTEGER(iwp) :: water_type_palm !< water type in PALM
2192
2193	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_array !< array matching
2194	!< the surface types
2195	TYPE(surf_type), INTENT(in) :: surf !< respective surface type
2196
2197	DO m = 1, surf%ns
2198
2199	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2200	vege_type_palm = surf%vegetation_type(m)
2201	SELECT CASE ( vege_type_palm )
2202	CASE ( 0 )
2203	message_string = 'No vegetation type defined.'
2204	CALL message( 'salsa_mod: init_depo_surfaces', 'PA0614', 1, 2, 0, 6, 0 )
2205	CASE ( 1 ) ! bare soil
2206	match_array(m) = 6 ! grass in Z01
2207	CASE ( 2 ) ! crops, mixed farming
2208	match_array(m) = 7 ! crops, mixed farming Z01
2209	CASE ( 3 ) ! short grass
2210	match_array(m) = 6 ! grass in Z01
2211	CASE ( 4 ) ! evergreen needleleaf trees
2212	match_array(m) = 1 ! evergreen needleleaf trees in Z01
2213	CASE ( 5 ) ! deciduous needleleaf trees
2214	match_array(m) = 3 ! deciduous needleleaf trees in Z01
2215	CASE ( 6 ) ! evergreen broadleaf trees
2216	match_array(m) = 2 ! evergreen broadleaf trees in Z01
2217	CASE ( 7 ) ! deciduous broadleaf trees
2218	match_array(m) = 4 ! deciduous broadleaf trees in Z01
2219	CASE ( 8 ) ! tall grass
2220	match_array(m) = 6 ! grass in Z01
2221	CASE ( 9 ) ! desert
2222	match_array(m) = 8 ! desert in Z01
2223	CASE ( 10 ) ! tundra
2224	match_array(m) = 9 ! tundra in Z01
2225	CASE ( 11 ) ! irrigated crops
2226	match_array(m) = 7 ! crops, mixed farming Z01
2227	CASE ( 12 ) ! semidesert
2228	match_array(m) = 8 ! desert in Z01
2229	CASE ( 13 ) ! ice caps and glaciers
2230	match_array(m) = 12 ! ice cap and glacier in Z01
2231	CASE ( 14 ) ! bogs and marshes
2232	match_array(m) = 11 ! wetland with plants in Z01
2233	CASE ( 15 ) ! evergreen shrubs
2234	match_array(m) = 10 ! shrubs and interrupted woodlands in Z01
2235	CASE ( 16 ) ! deciduous shrubs
2236	match_array(m) = 10 ! shrubs and interrupted woodlands in Z01
2237	CASE ( 17 ) ! mixed forest/woodland
2238	match_array(m) = 5 ! mixed broadleaf and needleleaf trees in Z01
2239	CASE ( 18 ) ! interrupted forest
2240	match_array(m) = 10 ! shrubs and interrupted woodlands in Z01
2241	END SELECT
2242	ENDIF
2243
2244	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2245	pav_type_palm = surf%pavement_type(m)
2246	IF ( pav_type_palm == 0 ) THEN ! error
2247	message_string = 'No pavement type defined.'
2248	CALL message( 'salsa_mod: match_lsm_zhang', 'PA0615', 1, 2, 0, 6, 0 )
2249	ELSEIF ( pav_type_palm > 0 .AND. pav_type_palm <= 15 ) THEN
2250	match_array(m) = 15 ! urban in Z01
2251	ENDIF
2252	ENDIF
2253
2254	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2255	water_type_palm = surf%water_type(m)
2256	IF ( water_type_palm == 0 ) THEN ! error
2257	message_string = 'No water type defined.'
2258	CALL message( 'salsa_mod: match_lsm_zhang', 'PA0616', 1, 2, 0, 6, 0 )
2259	ELSEIF ( water_type_palm == 3 ) THEN
2260	match_array(m) = 14 ! ocean in Z01
2261	ELSEIF ( water_type_palm == 1 .OR. water_type_palm == 2 .OR. water_type_palm == 4 &
2262	.OR. water_type_palm == 5 ) THEN
2263	match_array(m) = 13 ! inland water in Z01
2264	ENDIF
2265	ENDIF
2266
2267	ENDDO
2268
2269	END SUBROUTINE match_lsm_zhang
2270
2271	!------------------------------------------------------------------------------!
2272	! Description:
2273	! ------------
2274	!> Swapping of timelevels
2275	!------------------------------------------------------------------------------!
2276	SUBROUTINE salsa_swap_timelevel( mod_count )
2277
2278	IMPLICIT NONE
2279
2280	INTEGER(iwp) :: ib !<
2281	INTEGER(iwp) :: ic !<
2282	INTEGER(iwp) :: icc !<
2283	INTEGER(iwp) :: ig !<
2284
2285	INTEGER(iwp), INTENT(IN) :: mod_count !<
2286
2287	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
2288
2289	SELECT CASE ( mod_count )
2290
2291	CASE ( 0 )
2292
2293	DO ib = 1, nbins_aerosol
2294	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2295	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2296
2297	DO ic = 1, ncomponents_mass
2298	icc = ( ic-1 ) * nbins_aerosol + ib
2299	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2300	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2301	ENDDO
2302	ENDDO
2303
2304	IF ( .NOT. salsa_gases_from_chem ) THEN
2305	DO ig = 1, ngases_salsa
2306	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2307	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2308	ENDDO
2309	ENDIF
2310
2311	CASE ( 1 )
2312
2313	DO ib = 1, nbins_aerosol
2314	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2315	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2316	DO ic = 1, ncomponents_mass
2317	icc = ( ic-1 ) * nbins_aerosol + ib
2318	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2319	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2320	ENDDO
2321	ENDDO
2322
2323	IF ( .NOT. salsa_gases_from_chem ) THEN
2324	DO ig = 1, ngases_salsa
2325	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2326	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2327	ENDDO
2328	ENDIF
2329
2330	END SELECT
2331
2332	ENDIF
2333
2334	END SUBROUTINE salsa_swap_timelevel
2335
2336
2337	!------------------------------------------------------------------------------!
2338	! Description:
2339	! ------------
2340	!> This routine reads the respective restart data.
2341	!------------------------------------------------------------------------------!
2342	SUBROUTINE salsa_rrd_local( k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, nxr_on_file, nynf, nync, &
2343	nyn_on_file, nysf, nysc, nys_on_file, tmp_3d, found )
2344
2345	IMPLICIT NONE
2346
2347	INTEGER(iwp) :: ib !<
2348	INTEGER(iwp) :: ic !<
2349	INTEGER(iwp) :: ig !<
2350	INTEGER(iwp) :: k !<
2351	INTEGER(iwp) :: nxlc !<
2352	INTEGER(iwp) :: nxlf !<
2353	INTEGER(iwp) :: nxl_on_file !<
2354	INTEGER(iwp) :: nxrc !<
2355	INTEGER(iwp) :: nxrf !<
2356	INTEGER(iwp) :: nxr_on_file !<
2357	INTEGER(iwp) :: nync !<
2358	INTEGER(iwp) :: nynf !<
2359	INTEGER(iwp) :: nyn_on_file !<
2360	INTEGER(iwp) :: nysc !<
2361	INTEGER(iwp) :: nysf !<
2362	INTEGER(iwp) :: nys_on_file !<
2363
2364	LOGICAL, INTENT(OUT) :: found !<
2365
2366	REAL(wp), &
2367	DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !<
2368
2369	found = .FALSE.
2370
2371	IF ( read_restart_data_salsa ) THEN
2372
2373	SELECT CASE ( restart_string(1:length) )
2374
2375	CASE ( 'aerosol_number' )
2376	DO ib = 1, nbins_aerosol
2377	IF ( k == 1 ) READ ( 13 ) tmp_3d
2378	aerosol_number(ib)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2379	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2380	found = .TRUE.
2381	ENDDO
2382
2383	CASE ( 'aerosol_mass' )
2384	DO ic = 1, ncomponents_mass * nbins_aerosol
2385	IF ( k == 1 ) READ ( 13 ) tmp_3d
2386	aerosol_mass(ic)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2387	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2388	found = .TRUE.
2389	ENDDO
2390
2391	CASE ( 'salsa_gas' )
2392	DO ig = 1, ngases_salsa
2393	IF ( k == 1 ) READ ( 13 ) tmp_3d
2394	salsa_gas(ig)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2395	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2396	found = .TRUE.
2397	ENDDO
2398
2399	CASE DEFAULT
2400	found = .FALSE.
2401
2402	END SELECT
2403	ENDIF
2404
2405	END SUBROUTINE salsa_rrd_local
2406
2407	!------------------------------------------------------------------------------!
2408	! Description:
2409	! ------------
2410	!> This routine writes the respective restart data.
2411	!> Note that the following input variables in PARIN have to be equal between
2412	!> restart runs:
2413	!> listspec, nbin, nbin2, nf2a, ncc, mass_fracs_a, mass_fracs_b
2414	!------------------------------------------------------------------------------!
2415	SUBROUTINE salsa_wrd_local
2416
2417	IMPLICIT NONE
2418
2419	INTEGER(iwp) :: ib !<
2420	INTEGER(iwp) :: ic !<
2421	INTEGER(iwp) :: ig !<
2422
2423	IF ( write_binary .AND. write_binary_salsa ) THEN
2424
2425	CALL wrd_write_string( 'aerosol_number' )
2426	DO ib = 1, nbins_aerosol
2427	WRITE ( 14 ) aerosol_number(ib)%conc
2428	ENDDO
2429
2430	CALL wrd_write_string( 'aerosol_mass' )
2431	DO ic = 1, nbins_aerosol * ncomponents_mass
2432	WRITE ( 14 ) aerosol_mass(ic)%conc
2433	ENDDO
2434
2435	CALL wrd_write_string( 'salsa_gas' )
2436	DO ig = 1, ngases_salsa
2437	WRITE ( 14 ) salsa_gas(ig)%conc
2438	ENDDO
2439
2440	ENDIF
2441
2442	END SUBROUTINE salsa_wrd_local
2443
2444	!------------------------------------------------------------------------------!
2445	! Description:
2446	! ------------
2447	!> Performs necessary unit and dimension conversion between the host model and
2448	!> SALSA module, and calls the main SALSA routine.
2449	!> Partially adobted form the original SALSA boxmodel version.
2450	!> Now takes masses in as kg/kg from LES!! Converted to m3/m3 for SALSA
2451	!> 05/2016 Juha: This routine is still pretty much in its original shape.
2452	!> It's dumb as a mule and twice as ugly, so implementation of
2453	!> an improved solution is necessary sooner or later.
2454	!> Juha Tonttila, FMI, 2014
2455	!> Jaakko Ahola, FMI, 2016
2456	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2457	!------------------------------------------------------------------------------!
2458	SUBROUTINE salsa_driver( i, j, prunmode )
2459
2460	USE arrays_3d, &
2461	ONLY: pt_p, q_p, u, v, w
2462
2463	USE plant_canopy_model_mod, &
2464	ONLY: lad_s
2465
2466	USE surface_mod, &
2467	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2468
2469	IMPLICIT NONE
2470
2471	INTEGER(iwp) :: endi !< end index
2472	INTEGER(iwp) :: ib !< loop index
2473	INTEGER(iwp) :: ic !< loop index
2474	INTEGER(iwp) :: ig !< loop index
2475	INTEGER(iwp) :: k_wall !< vertical index of topography top
2476	INTEGER(iwp) :: k !< loop index
2477	INTEGER(iwp) :: l !< loop index
2478	INTEGER(iwp) :: nc_h2o !< index of H2O in the prtcl index table
2479	INTEGER(iwp) :: ss !< loop index
2480	INTEGER(iwp) :: str !< start index
2481	INTEGER(iwp) :: vc !< default index in prtcl
2482
2483	INTEGER(iwp), INTENT(in) :: i !< loop index
2484	INTEGER(iwp), INTENT(in) :: j !< loop index
2485	INTEGER(iwp), INTENT(in) :: prunmode !< 1: Initialization, 2: Spinup, 3: Regular runtime
2486
2487	REAL(wp) :: cw_old !< previous H2O mixing ratio
2488	REAL(wp) :: flag !< flag to mask topography grid points
2489	REAL(wp) :: in_lad !< leaf area density (m2/m3)
2490	REAL(wp) :: in_rh !< relative humidity
2491	REAL(wp) :: zgso4 !< SO4
2492	REAL(wp) :: zghno3 !< HNO3
2493	REAL(wp) :: zgnh3 !< NH3
2494	REAL(wp) :: zgocnv !< non-volatile OC
2495	REAL(wp) :: zgocsv !< semi-volatile OC
2496
2497	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
2498	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cs !< H2O sat. vapour conc.
2499	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cw !< H2O vapour concentration
2500	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure (Pa)
2501	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
2502	REAL(wp), DIMENSION(nzb:nzt+1) :: in_u !< wind magnitude (m/s)
2503	REAL(wp), DIMENSION(nzb:nzt+1) :: kvis !< kinematic viscosity of air(m2/s)
2504	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor from ppm to #/m3
2505
2506	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: schmidt_num !< particle Schmidt number
2507	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: vd !< particle fall seed (m/s)
2508
2509	TYPE(t_section), DIMENSION(nbins_aerosol) :: aero_old !< helper array
2510
2511	aero_old(:)%numc = 0.0_wp
2512	in_lad = 0.0_wp
2513	in_u = 0.0_wp
2514	kvis = 0.0_wp
2515	schmidt_num = 0.0_wp
2516	vd = 0.0_wp
2517	zgso4 = nclim
2518	zghno3 = nclim
2519	zgnh3 = nclim
2520	zgocnv = nclim
2521	zgocsv = nclim
2522	!
2523	!-- Aerosol number is always set, but mass can be uninitialized
2524	DO ib = 1, nbins_aerosol
2525	aero(ib)%volc(:) = 0.0_wp
2526	aero_old(ib)%volc(:) = 0.0_wp
2527	ENDDO
2528	!
2529	!-- Set the salsa runtime config (How to make this more efficient?)
2530	CALL set_salsa_runtime( prunmode )
2531	!
2532	!-- Calculate thermodynamic quantities needed in SALSA
2533	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 )
2534	!
2535	!-- Magnitude of wind: needed for deposition
2536	IF ( lsdepo ) THEN
2537	in_u(nzb+1:nzt) = SQRT( ( 0.5_wp * ( u(nzb+1:nzt,j,i) + u(nzb+1:nzt,j,i+1) ) )**2 + &
2538	( 0.5_wp * ( v(nzb+1:nzt,j,i) + v(nzb+1:nzt,j+1,i) ) )**2 + &
2539	( 0.5_wp * ( w(nzb:nzt-1,j,i) + w(nzb+1:nzt,j, i) ) )**2 )
2540	ENDIF
2541	!
2542	!-- Calculate conversion factors for gas concentrations
2543	ppm_to_nconc(:) = for_ppm_to_nconc * in_p(:) / in_t(:)
2544	!
2545	!-- Determine topography-top index on scalar grid
2546	k_wall = k_topo_top(j,i)
2547
2548	DO k = nzb+1, nzt
2549	!
2550	!-- Predetermine flag to mask topography
2551	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2552	!
2553	!-- Wind velocity for dry depositon on vegetation
2554	IF ( lsdepo_pcm .AND. plant_canopy ) THEN
2555	in_lad = lad_s( MAX( k-k_wall,0 ),j,i)
2556	ENDIF
2557	!
2558	!-- For initialization and spinup, limit the RH with the parameter rhlim
2559	IF ( prunmode < 3 ) THEN
2560	in_cw(k) = MIN( in_cw(k), in_cs(k) * rhlim )
2561	ELSE
2562	in_cw(k) = in_cw(k)
2563	ENDIF
2564	cw_old = in_cw(k) !* in_adn(k)
2565	!
2566	!-- Set volume concentrations:
2567	!-- Sulphate (SO4) or sulphuric acid H2SO4
2568	IF ( index_so4 > 0 ) THEN
2569	vc = 1
2570	str = ( index_so4-1 ) * nbins_aerosol + 1 ! start index
2571	endi = index_so4 * nbins_aerosol ! end index
2572	ic = 1
2573	DO ss = str, endi
2574	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2so4
2575	ic = ic+1
2576	ENDDO
2577	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2578	ENDIF
2579	!
2580	!-- Organic carbon (OC) compounds
2581	IF ( index_oc > 0 ) THEN
2582	vc = 2
2583	str = ( index_oc-1 ) * nbins_aerosol + 1
2584	endi = index_oc * nbins_aerosol
2585	ic = 1
2586	DO ss = str, endi
2587	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhooc
2588	ic = ic+1
2589	ENDDO
2590	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2591	ENDIF
2592	!
2593	!-- Black carbon (BC)
2594	IF ( index_bc > 0 ) THEN
2595	vc = 3
2596	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
2597	endi = index_bc * nbins_aerosol
2598	ic = 1 + end_subrange_1a
2599	DO ss = str, endi
2600	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhobc
2601	ic = ic+1
2602	ENDDO
2603	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2604	ENDIF
2605	!
2606	!-- Dust (DU)
2607	IF ( index_du > 0 ) THEN
2608	vc = 4
2609	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
2610	endi = index_du * nbins_aerosol
2611	ic = 1 + end_subrange_1a
2612	DO ss = str, endi
2613	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhodu
2614	ic = ic+1
2615	ENDDO
2616	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2617	ENDIF
2618	!
2619	!-- Sea salt (SS)
2620	IF ( index_ss > 0 ) THEN
2621	vc = 5
2622	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
2623	endi = index_ss * nbins_aerosol
2624	ic = 1 + end_subrange_1a
2625	DO ss = str, endi
2626	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoss
2627	ic = ic+1
2628	ENDDO
2629	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2630	ENDIF
2631	!
2632	!-- Nitrate (NO(3-)) or nitric acid HNO3
2633	IF ( index_no > 0 ) THEN
2634	vc = 6
2635	str = ( index_no-1 ) * nbins_aerosol + 1
2636	endi = index_no * nbins_aerosol
2637	ic = 1
2638	DO ss = str, endi
2639	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhohno3
2640	ic = ic+1
2641	ENDDO
2642	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2643	ENDIF
2644	!
2645	!-- Ammonium (NH(4+)) or ammonia NH3
2646	IF ( index_nh > 0 ) THEN
2647	vc = 7
2648	str = ( index_nh-1 ) * nbins_aerosol + 1
2649	endi = index_nh * nbins_aerosol
2650	ic = 1
2651	DO ss = str, endi
2652	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhonh3
2653	ic = ic+1
2654	ENDDO
2655	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2656	ENDIF
2657	!
2658	!-- Water (always used)
2659	nc_h2o = get_index( prtcl,'H2O' )
2660	vc = 8
2661	str = ( nc_h2o-1 ) * nbins_aerosol + 1
2662	endi = nc_h2o * nbins_aerosol
2663	ic = 1
2664	IF ( advect_particle_water ) THEN
2665	DO ss = str, endi
2666	aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2o
2667	ic = ic+1
2668	ENDDO
2669	ELSE
2670	aero(1:nbins_aerosol)%volc(vc) = mclim
2671	ENDIF
2672	aero_old(1:nbins_aerosol)%volc(vc) = aero(1:nbins_aerosol)%volc(vc)
2673	!
2674	!-- Number concentrations (numc) and particle sizes
2675	!-- (dwet = wet diameter, core = dry volume)
2676	DO ib = 1, nbins_aerosol
2677	aero(ib)%numc = aerosol_number(ib)%conc(k,j,i)
2678	aero_old(ib)%numc = aero(ib)%numc
2679	IF ( aero(ib)%numc > nclim ) THEN
2680	aero(ib)%dwet = ( SUM( aero(ib)%volc(:) ) / aero(ib)%numc / api6 )**0.33333333_wp
2681	aero(ib)%core = SUM( aero(ib)%volc(1:7) ) / aero(ib)%numc
2682	ELSE
2683	aero(ib)%dwet = aero(ib)%dmid
2684	aero(ib)%core = api6 * ( aero(ib)%dwet )**3
2685	ENDIF
2686	ENDDO
2687	!
2688	!-- On EACH call of salsa_driver, calculate the ambient sizes of
2689	!-- particles by equilibrating soluble fraction of particles with water
2690	!-- using the ZSR method.
2691	in_rh = in_cw(k) / in_cs(k)
2692	IF ( prunmode==1 .OR. .NOT. advect_particle_water ) THEN
2693	CALL equilibration( in_rh, in_t(k), aero, .TRUE. )
2694	ENDIF
2695	!
2696	!-- Gaseous tracer concentrations in #/m3
2697	IF ( salsa_gases_from_chem ) THEN
2698	!
2699	!-- Convert concentrations in ppm to #/m3
2700	zgso4 = chem_species(gas_index_chem(1))%conc(k,j,i) * ppm_to_nconc(k)
2701	zghno3 = chem_species(gas_index_chem(2))%conc(k,j,i) * ppm_to_nconc(k)
2702	zgnh3 = chem_species(gas_index_chem(3))%conc(k,j,i) * ppm_to_nconc(k)
2703	zgocnv = chem_species(gas_index_chem(4))%conc(k,j,i) * ppm_to_nconc(k)
2704	zgocsv = chem_species(gas_index_chem(5))%conc(k,j,i) * ppm_to_nconc(k)
2705	ELSE
2706	zgso4 = salsa_gas(1)%conc(k,j,i)
2707	zghno3 = salsa_gas(2)%conc(k,j,i)
2708	zgnh3 = salsa_gas(3)%conc(k,j,i)
2709	zgocnv = salsa_gas(4)%conc(k,j,i)
2710	zgocsv = salsa_gas(5)%conc(k,j,i)
2711	ENDIF
2712	!
2713	!-- Calculate aerosol processes:
2714	!-- *********************************************************************************************
2715	!
2716	!-- Coagulation
2717	IF ( lscoag ) THEN
2718	CALL coagulation( aero, dt_salsa, in_t(k), in_p(k) )
2719	ENDIF
2720	!
2721	!-- Condensation
2722	IF ( lscnd ) THEN
2723	CALL condensation( aero, zgso4, zgocnv, zgocsv, zghno3, zgnh3, in_cw(k), in_cs(k), &
2724	in_t(k), in_p(k), dt_salsa, prtcl )
2725	ENDIF
2726	!
2727	!-- Deposition
2728	IF ( lsdepo ) THEN
2729	CALL deposition( aero, in_t(k), in_adn(k), in_u(k), in_lad, kvis(k), schmidt_num(k,:), &
2730	vd(k,:) )
2731	ENDIF
2732	!
2733	!-- Size distribution bin update
2734	IF ( lsdistupdate ) THEN
2735	CALL distr_update( aero )
2736	ENDIF
2737	!-- *********************************************************************************************
2738
2739	IF ( lsdepo ) sedim_vd(k,j,i,:) = vd(k,:)
2740	!
2741	!-- Calculate changes in concentrations
2742	DO ib = 1, nbins_aerosol
2743	aerosol_number(ib)%conc(k,j,i) = aerosol_number(ib)%conc(k,j,i) + ( aero(ib)%numc - &
2744	aero_old(ib)%numc ) * flag
2745	ENDDO
2746
2747	IF ( index_so4 > 0 ) THEN
2748	vc = 1
2749	str = ( index_so4-1 ) * nbins_aerosol + 1
2750	endi = index_so4 * nbins_aerosol
2751	ic = 1
2752	DO ss = str, endi
2753	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2754	aero_old(ic)%volc(vc) ) * arhoh2so4 * flag
2755	ic = ic+1
2756	ENDDO
2757	ENDIF
2758
2759	IF ( index_oc > 0 ) THEN
2760	vc = 2
2761	str = ( index_oc-1 ) * nbins_aerosol + 1
2762	endi = index_oc * nbins_aerosol
2763	ic = 1
2764	DO ss = str, endi
2765	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2766	aero_old(ic)%volc(vc) ) * arhooc * flag
2767	ic = ic+1
2768	ENDDO
2769	ENDIF
2770
2771	IF ( index_bc > 0 ) THEN
2772	vc = 3
2773	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
2774	endi = index_bc * nbins_aerosol
2775	ic = 1 + end_subrange_1a
2776	DO ss = str, endi
2777	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2778	aero_old(ic)%volc(vc) ) * arhobc * flag
2779	ic = ic+1
2780	ENDDO
2781	ENDIF
2782
2783	IF ( index_du > 0 ) THEN
2784	vc = 4
2785	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
2786	endi = index_du * nbins_aerosol
2787	ic = 1 + end_subrange_1a
2788	DO ss = str, endi
2789	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2790	aero_old(ic)%volc(vc) ) * arhodu * flag
2791	ic = ic+1
2792	ENDDO
2793	ENDIF
2794
2795	IF ( index_ss > 0 ) THEN
2796	vc = 5
2797	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
2798	endi = index_ss * nbins_aerosol
2799	ic = 1 + end_subrange_1a
2800	DO ss = str, endi
2801	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2802	aero_old(ic)%volc(vc) ) * arhoss * flag
2803	ic = ic+1
2804	ENDDO
2805	ENDIF
2806
2807	IF ( index_no > 0 ) THEN
2808	vc = 6
2809	str = ( index_no-1 ) * nbins_aerosol + 1
2810	endi = index_no * nbins_aerosol
2811	ic = 1
2812	DO ss = str, endi
2813	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2814	aero_old(ic)%volc(vc) ) * arhohno3 * flag
2815	ic = ic+1
2816	ENDDO
2817	ENDIF
2818
2819	IF ( index_nh > 0 ) THEN
2820	vc = 7
2821	str = ( index_nh-1 ) * nbins_aerosol + 1
2822	endi = index_nh * nbins_aerosol
2823	ic = 1
2824	DO ss = str, endi
2825	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2826	aero_old(ic)%volc(vc) ) * arhonh3 * flag
2827	ic = ic+1
2828	ENDDO
2829	ENDIF
2830
2831	IF ( advect_particle_water ) THEN
2832	nc_h2o = get_index( prtcl,'H2O' )
2833	vc = 8
2834	str = ( nc_h2o-1 ) * nbins_aerosol + 1
2835	endi = nc_h2o * nbins_aerosol
2836	ic = 1
2837	DO ss = str, endi
2838	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( aero(ic)%volc(vc) - &
2839	aero_old(ic)%volc(vc) ) * arhoh2o * flag
2840	IF ( prunmode == 1 ) THEN
2841	aerosol_mass(ss)%init(k) = MAX( aerosol_mass(ss)%init(k), &
2842	aerosol_mass(ss)%conc(k,j,i) )
2843	IF ( k == nzb+1 ) THEN
2844	aerosol_mass(ss)%init(k-1) = 0.0_wp
2845	ELSEIF ( k == nzt ) THEN
2846	aerosol_mass(ss)%init(k+1) = aerosol_mass(ss)%init(k)
2847	ENDIF
2848	ENDIF
2849	ic = ic+1
2850	ENDDO
2851	ENDIF
2852	!
2853	!-- Condensation of precursor gases
2854	IF ( lscndgas ) THEN
2855	IF ( salsa_gases_from_chem ) THEN
2856	!
2857	!-- SO4 (or H2SO4)
2858	ig = gas_index_chem(1)
2859	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgso4 / &
2860	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2861	!
2862	!-- HNO3
2863	ig = gas_index_chem(2)
2864	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zghno3 / &
2865	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2866	!
2867	!-- NH3
2868	ig = gas_index_chem(3)
2869	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgnh3 / &
2870	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2871	!
2872	!-- non-volatile OC
2873	ig = gas_index_chem(4)
2874	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocnv / &
2875	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2876	!
2877	!-- semi-volatile OC
2878	ig = gas_index_chem(5)
2879	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocsv / &
2880	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2881
2882	ELSE
2883	!
2884	!-- SO4 (or H2SO4)
2885	salsa_gas(1)%conc(k,j,i) = salsa_gas(1)%conc(k,j,i) + ( zgso4 - &
2886	salsa_gas(1)%conc(k,j,i) ) * flag
2887	!
2888	!-- HNO3
2889	salsa_gas(2)%conc(k,j,i) = salsa_gas(2)%conc(k,j,i) + ( zghno3 - &
2890	salsa_gas(2)%conc(k,j,i) ) * flag
2891	!
2892	!-- NH3
2893	salsa_gas(3)%conc(k,j,i) = salsa_gas(3)%conc(k,j,i) + ( zgnh3 - &
2894	salsa_gas(3)%conc(k,j,i) ) * flag
2895	!
2896	!-- non-volatile OC
2897	salsa_gas(4)%conc(k,j,i) = salsa_gas(4)%conc(k,j,i) + ( zgocnv - &
2898	salsa_gas(4)%conc(k,j,i) ) * flag
2899	!
2900	!-- semi-volatile OC
2901	salsa_gas(5)%conc(k,j,i) = salsa_gas(5)%conc(k,j,i) + ( zgocsv - &
2902	salsa_gas(5)%conc(k,j,i) ) * flag
2903	ENDIF
2904	ENDIF
2905	!
2906	!-- Tendency of water vapour mixing ratio is obtained from the
2907	!-- change in RH during SALSA run. This releases heat and changes pt.
2908	!-- Assumes no temperature change during SALSA run.
2909	!-- q = r / (1+r), Euler method for integration
2910	!
2911	IF ( feedback_to_palm ) THEN
2912	q_p(k,j,i) = q_p(k,j,i) + 1.0_wp / ( in_cw(k) * in_adn(k) + 1.0_wp )*2 &
2913	( in_cw(k) - cw_old ) * in_adn(k) * flag
2914	pt_p(k,j,i) = pt_p(k,j,i) + alv / c_p * ( in_cw(k) - cw_old ) * in_adn(k) / ( in_cw(k) / &
2915	in_adn(k) + 1.0_wp )*2 pt_p(k,j,i) / in_t(k) * flag
2916	ENDIF
2917
2918	ENDDO ! k
2919	!
2920	!-- Set surfaces and wall fluxes due to deposition
2921	IF ( lsdepo .AND. lsdepo_surf .AND. prunmode == 3 ) THEN
2922	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
2923	CALL depo_surf( i, j, surf_def_h(0), vd, schmidt_num, kvis, in_u, .TRUE. )
2924	DO l = 0, 3
2925	CALL depo_surf( i, j, surf_def_v(l), vd, schmidt_num, kvis, in_u, .FALSE., l )
2926	ENDDO
2927	ELSE
2928	CALL depo_surf( i, j, surf_usm_h, vd, schmidt_num, kvis, in_u, .TRUE. )
2929	DO l = 0, 3
2930	CALL depo_surf( i, j, surf_usm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., l )
2931	ENDDO
2932	CALL depo_surf( i, j, surf_lsm_h, vd, schmidt_num, kvis, in_u, .TRUE. )
2933	DO l = 0, 3
2934	CALL depo_surf( i, j, surf_lsm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., l )
2935	ENDDO
2936	ENDIF
2937	ENDIF
2938
2939	END SUBROUTINE salsa_driver
2940
2941	!------------------------------------------------------------------------------!
2942	! Description:
2943	! ------------
2944	!> Set logical switches according to the host model state and user-specified
2945	!> NAMELIST options.
2946	!> Juha Tonttila, FMI, 2014
2947	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2948	!------------------------------------------------------------------------------!
2949	SUBROUTINE set_salsa_runtime( prunmode )
2950
2951	IMPLICIT NONE
2952
2953	INTEGER(iwp), INTENT(in) :: prunmode
2954
2955	SELECT CASE(prunmode)
2956
2957	CASE(1) !< Initialization
2958	lscoag = .FALSE.
2959	lscnd = .FALSE.
2960	lscndgas = .FALSE.
2961	lscndh2oae = .FALSE.
2962	lsdepo = .FALSE.
2963	lsdepo_pcm = .FALSE.
2964	lsdepo_surf = .FALSE.
2965	lsdistupdate = .TRUE.
2966	lspartition = .FALSE.
2967
2968	CASE(2) !< Spinup period
2969	lscoag = ( .FALSE. .AND. nlcoag )
2970	lscnd = ( .TRUE. .AND. nlcnd )
2971	lscndgas = ( .TRUE. .AND. nlcndgas )
2972	lscndh2oae = ( .TRUE. .AND. nlcndh2oae )
2973
2974	CASE(3) !< Run
2975	lscoag = nlcoag
2976	lscnd = nlcnd
2977	lscndgas = nlcndgas
2978	lscndh2oae = nlcndh2oae
2979	lsdepo = nldepo
2980	lsdepo_pcm = nldepo_pcm
2981	lsdepo_surf = nldepo_surf
2982	lsdistupdate = nldistupdate
2983	END SELECT
2984
2985
2986	END SUBROUTINE set_salsa_runtime
2987
2988	!------------------------------------------------------------------------------!
2989	! Description:
2990	! ------------
2991	!> Calculates the absolute temperature (using hydrostatic pressure), saturation
2992	!> vapour pressure and mixing ratio over water, relative humidity and air
2993	!> density needed in the SALSA model.
2994	!> NOTE, no saturation adjustment takes place -> the resulting water vapour
2995	!> mixing ratio can be supersaturated, allowing the microphysical calculations
2996	!> in SALSA.
2997	!
2998	!> Juha Tonttila, FMI, 2014 (original SALSAthrm)
2999	!> Mona Kurppa, UHel, 2017 (adjustment for PALM and only aerosol processes)
3000	!------------------------------------------------------------------------------!
3001	SUBROUTINE salsa_thrm_ij( i, j, p_ij, temp_ij, cw_ij, cs_ij, adn_ij )
3002
3003	USE arrays_3d, &
3004	ONLY: pt, q, zu
3005
3006	USE basic_constants_and_equations_mod, &
3007	ONLY: barometric_formula, exner_function, ideal_gas_law_rho, magnus
3008
3009	USE control_parameters, &
3010	ONLY: pt_surface, surface_pressure
3011
3012	IMPLICIT NONE
3013
3014	INTEGER(iwp), INTENT(in) :: i !<
3015	INTEGER(iwp), INTENT(in) :: j !<
3016
3017	REAL(wp) :: t_surface !< absolute surface temperature (K)
3018
3019	REAL(wp), DIMENSION(nzb:nzt+1) :: e_s !< saturation vapour pressure over water (Pa)
3020
3021	REAL(wp), DIMENSION(:), INTENT(inout) :: adn_ij !< air density (kg/m3)
3022	REAL(wp), DIMENSION(:), INTENT(inout) :: p_ij !< air pressure (Pa)
3023	REAL(wp), DIMENSION(:), INTENT(inout) :: temp_ij !< air temperature (K)
3024
3025	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cw_ij !< water vapour concentration (kg/m3)
3026	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cs_ij !< saturation water vap. conc.(kg/m3)
3027	!
3028	!-- Pressure p_ijk (Pa) = hydrostatic pressure
3029	t_surface = pt_surface * exner_function( surface_pressure * 100.0_wp )
3030	p_ij(:) = barometric_formula( zu, t_surface, surface_pressure * 100.0_wp )
3031	!
3032	!-- Absolute ambient temperature (K)
3033	temp_ij(:) = pt(:,j,i) * exner_function( p_ij(:) )
3034	!
3035	!-- Air density
3036	adn_ij(:) = ideal_gas_law_rho( p_ij(:), temp_ij(:) )
3037	!
3038	!-- Water vapour concentration r_v (kg/m3)
3039	IF ( PRESENT( cw_ij ) ) THEN
3040	cw_ij(:) = ( q(:,j,i) / ( 1.0_wp - q(:,j,i) ) ) * adn_ij(:)
3041	ENDIF
3042	!
3043	!-- Saturation mixing ratio r_s (kg/kg) from vapour pressure at temp (Pa)
3044	IF ( PRESENT( cs_ij ) ) THEN
3045	e_s(:) = 611.0_wp * EXP( alv_d_rv * ( 3.6609E-3_wp - 1.0_wp / &
3046	temp_ij(:) ) )! magnus( temp_ij(:) )
3047	cs_ij(:) = ( 0.622_wp * e_s / ( p_ij(:) - e_s(:) ) ) * adn_ij(:)
3048	ENDIF
3049
3050	END SUBROUTINE salsa_thrm_ij
3051
3052	!------------------------------------------------------------------------------!
3053	! Description:
3054	! ------------
3055	!> Calculates ambient sizes of particles by equilibrating soluble fraction of
3056	!> particles with water using the ZSR method (Stokes and Robinson, 1966).
3057	!> Method:
3058	!> Following chemical components are assumed water-soluble
3059	!> - (ammonium) sulphate (100%)
3060	!> - sea salt (100 %)
3061	!> - organic carbon (epsoc * 100%)
3062	!> Exact thermodynamic considerations neglected.
3063	!> - If particles contain no sea salt, calculation according to sulphate
3064	!> properties
3065	!> - If contain sea salt but no sulphate, calculation according to sea salt
3066	!> properties
3067	!> - If contain both sulphate and sea salt -> the molar fraction of these
3068	!> compounds determines which one of them is used as the basis of calculation.
3069	!> If sulphate and sea salt coexist in a particle, it is assumed that the Cl is
3070	!> replaced by sulphate; thus only either sulphate + organics or sea salt +
3071	!> organics is included in the calculation of soluble fraction.
3072	!> Molality parameterizations taken from Table 1 of Tang: Thermodynamic and
3073	!> optical properties of mixed-salt aerosols of atmospheric importance,
3074	!> J. Geophys. Res., 102 (D2), 1883-1893 (1997)
3075	!
3076	!> Coded by:
3077	!> Hannele Korhonen (FMI) 2005
3078	!> Harri Kokkola (FMI) 2006
3079	!> Matti Niskanen(FMI) 2012
3080	!> Anton Laakso (FMI) 2013
3081	!> Modified for the new aerosol datatype, Juha Tonttila (FMI) 2014
3082	!
3083	!> fxm: should sea salt form a solid particle when prh is very low (even though
3084	!> it could be mixed with e.g. sulphate)?
3085	!> fxm: crashes if no sulphate or sea salt
3086	!> fxm: do we really need to consider Kelvin effect for subrange 2
3087	!------------------------------------------------------------------------------!
3088	SUBROUTINE equilibration( prh, ptemp, paero, init )
3089
3090	IMPLICIT NONE
3091
3092	INTEGER(iwp) :: ib !< loop index
3093	INTEGER(iwp) :: counti !< loop index
3094
3095	LOGICAL, INTENT(in) :: init !< TRUE: Initialization, FALSE: Normal runtime: update water
3096	!< content only for 1a
3097
3098	REAL(wp) :: zaw !< water activity [0-1]
3099	REAL(wp) :: zcore !< Volume of dry particle
3100	REAL(wp) :: zdold !< Old diameter
3101	REAL(wp) :: zdwet !< Wet diameter or mean droplet diameter
3102	REAL(wp) :: zke !< Kelvin term in the KÃ¶hler equation
3103	REAL(wp) :: zlwc !< liquid water content [kg/m3-air]
3104	REAL(wp) :: zrh !< Relative humidity
3105
3106	REAL(wp), DIMENSION(maxspec) :: zbinmol !< binary molality of each components (mol/kg)
3107	REAL(wp), DIMENSION(maxspec) :: zvpart !< volume of chem. compounds in one particle
3108
3109	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
3110	REAL(wp), INTENT(in) :: ptemp !< temperature (K)
3111
3112	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3113
3114	zaw = 0.0_wp
3115	zlwc = 0.0_wp
3116	!
3117	!-- Relative humidity:
3118	zrh = prh
3119	zrh = MAX( zrh, 0.05_wp )
3120	zrh = MIN( zrh, 0.98_wp)
3121	!
3122	!-- 1) Regime 1: sulphate and partly water-soluble OC. Done for every CALL
3123	DO ib = start_subrange_1a, end_subrange_1a ! size bin
3124
3125	zbinmol = 0.0_wp
3126	zdold = 1.0_wp
3127	zke = 1.02_wp
3128
3129	IF ( paero(ib)%numc > nclim ) THEN
3130	!
3131	!-- Volume in one particle
3132	zvpart = 0.0_wp
3133	zvpart(1:2) = paero(ib)%volc(1:2) / paero(ib)%numc
3134	zvpart(6:7) = paero(ib)%volc(6:7) / paero(ib)%numc
3135	!
3136	!-- Total volume and wet diameter of one dry particle
3137	zcore = SUM( zvpart(1:2) )
3138	zdwet = paero(ib)%dwet
3139
3140	counti = 0
3141	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-2_wp )
3142
3143	zdold = MAX( zdwet, 1.0E-20_wp )
3144	zaw = MAX( 1.0E-3_wp, zrh / zke ) ! To avoid underflow
3145	!
3146	!-- Binary molalities (mol/kg):
3147	!-- Sulphate
3148	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3149	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3150	!-- Organic carbon
3151	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3152	!-- Nitric acid
3153	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - 6.210577919E+1_wp * zaw**2 &
3154	+ 5.510176187E+2_wp * zaw*3 - 1.460055286E+3_wp zaw**4 &
3155	+ 1.894467542E+3_wp * zaw*5 - 1.220611402E+3_wp zaw**6 &
3156	+ 3.098597737E+2_wp * zaw**7
3157	!
3158	!-- Calculate the liquid water content (kg/m3-air) using ZSR (see e.g. Eq. 10.98 in
3159	!-- Seinfeld and Pandis (2006))
3160	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3161	epsoc * paero(ib)%volc(2) * ( arhooc / amoc ) / zbinmol(2) + &
3162	( paero(ib)%volc(6) * ( arhohno3/amhno3 ) ) / zbinmol(6)
3163	!
3164	!-- Particle wet diameter (m)
3165	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3166	zcore / api6 )**0.33333333_wp
3167	!
3168	!-- Kelvin effect (Eq. 10.85 in in Seinfeld and Pandis (2006)). Avoid
3169	!-- overflow.
3170	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * ptemp * zdwet ) ) )
3171
3172	counti = counti + 1
3173	IF ( counti > 1000 ) THEN
3174	message_string = 'Subrange 1: no convergence!'
3175	CALL message( 'salsa_mod: equilibration', 'PA0617', 1, 2, 0, 6, 0 )
3176	ENDIF
3177	ENDDO
3178	!
3179	!-- Instead of lwc, use the volume concentration of water from now on
3180	!-- (easy to convert...)
3181	paero(ib)%volc(8) = zlwc / arhoh2o
3182	!
3183	!-- If this is initialization, update the core and wet diameter
3184	IF ( init ) THEN
3185	paero(ib)%dwet = zdwet
3186	paero(ib)%core = zcore
3187	ENDIF
3188
3189	ELSE
3190	!-- If initialization
3191	!-- 1.2) empty bins given bin average values
3192	IF ( init ) THEN
3193	paero(ib)%dwet = paero(ib)%dmid
3194	paero(ib)%core = api6 * paero(ib)%dmid**3
3195	ENDIF
3196
3197	ENDIF
3198
3199	ENDDO ! ib
3200	!
3201	!-- 2) Regime 2a: sulphate, OC, BC and sea salt
3202	!-- This is done only for initialization call, otherwise the water contents
3203	!-- are computed via condensation
3204	IF ( init ) THEN
3205	DO ib = start_subrange_2a, end_subrange_2b
3206	!
3207	!-- Initialize
3208	zke = 1.02_wp
3209	zbinmol = 0.0_wp
3210	zdold = 1.0_wp
3211	!
3212	!-- 1) Particle properties calculated for non-empty bins
3213	IF ( paero(ib)%numc > nclim ) THEN
3214	!
3215	!-- Volume in one particle [fxm]
3216	zvpart = 0.0_wp
3217	zvpart(1:7) = paero(ib)%volc(1:7) / paero(ib)%numc
3218	!
3219	!-- Total volume and wet diameter of one dry particle [fxm]
3220	zcore = SUM( zvpart(1:5) )
3221	zdwet = paero(ib)%dwet
3222
3223	counti = 0
3224	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-12_wp )
3225
3226	zdold = MAX( zdwet, 1.0E-20_wp )
3227	zaw = zrh / zke
3228	!
3229	!-- Binary molalities (mol/kg):
3230	!-- Sulphate
3231	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3232	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3233	!-- Organic carbon
3234	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3235	!-- Nitric acid
3236	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - &
3237	6.210577919E+1_wp * zaw*2 + 5.510176187E+2_wp zaw**3 - &
3238	1.460055286E+3_wp * zaw*4 + 1.894467542E+3_wp zaw**5 - &
3239	1.220611402E+3_wp * zaw*6 + 3.098597737E+2_wp zaw**7
3240	!-- Sea salt (natrium chloride)
3241	zbinmol(5) = 5.875248E+1_wp - 1.8781997E+2_wp * zaw + 2.7211377E+2_wp * zaw**2 - &
3242	1.8458287E+2_wp * zaw*3 + 4.153689E+1_wp zaw**4
3243	!
3244	!-- Calculate the liquid water content (kg/m3-air)
3245	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3246	epsoc * ( paero(ib)%volc(2) * ( arhooc / amoc ) ) / zbinmol(2) + &
3247	( paero(ib)%volc(6) * ( arhohno3 / amhno3 ) ) / zbinmol(6) + &
3248	( paero(ib)%volc(5) * ( arhoss / amss ) ) / zbinmol(5)
3249
3250	!-- Particle wet radius (m)
3251	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3252	zcore / api6 )**0.33333333_wp
3253	!
3254	!-- Kelvin effect (Eq. 10.85 in Seinfeld and Pandis (2006))
3255	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * zdwet * ptemp ) ) )
3256
3257	counti = counti + 1
3258	IF ( counti > 1000 ) THEN
3259	message_string = 'Subrange 2: no convergence!'
3260	CALL message( 'salsa_mod: equilibration', 'PA0618', 1, 2, 0, 6, 0 )
3261	ENDIF
3262	ENDDO
3263	!
3264	!-- Liquid water content; instead of LWC use the volume concentration
3265	paero(ib)%volc(8) = zlwc / arhoh2o
3266	paero(ib)%dwet = zdwet
3267	paero(ib)%core = zcore
3268
3269	ELSE
3270	!-- 2.2) empty bins given bin average values
3271	paero(ib)%dwet = paero(ib)%dmid
3272	paero(ib)%core = api6 * paero(ib)%dmid**3
3273	ENDIF
3274
3275	ENDDO ! ib
3276	ENDIF
3277
3278	END SUBROUTINE equilibration
3279
3280	!------------------------------------------------------------------------------!
3281	!> Description:
3282	!> ------------
3283	!> Calculation of the settling velocity vc (m/s) per aerosol size bin and
3284	!> deposition on plant canopy (lsdepo_pcm).
3285	!
3286	!> Deposition is based on either the scheme presented in:
3287	!> Zhang et al. (2001), Atmos. Environ. 35, 549-560 (includes collection due to
3288	!> Brownian diffusion, impaction, interception and sedimentation; hereafter ZO1)
3289	!> OR
3290	!> Petroff & Zhang (2010), Geosci. Model Dev. 3, 753-769 (includes also
3291	!> collection due to turbulent impaction, hereafter P10)
3292	!
3293	!> Equation numbers refer to equation in Jacobson (2005): Fundamentals of
3294	!> Atmospheric Modeling, 2nd Edition.
3295	!
3296	!> Subroutine follows closely sedim_SALSA in UCLALES-SALSA written by Juha
3297	!> Tonttila (KIT/FMI) and Zubair Maalick (UEF).
3298	!> Rewritten to PALM by Mona Kurppa (UH), 2017.
3299	!
3300	!> Call for grid point i,j,k
3301	!------------------------------------------------------------------------------!
3302
3303	SUBROUTINE deposition( paero, tk, adn, mag_u, lad, kvis, schmidt_num, vc )
3304
3305	USE plant_canopy_model_mod, &
3306	ONLY: cdc
3307
3308	IMPLICIT NONE
3309
3310	INTEGER(iwp) :: ib !< loop index
3311
3312	REAL(wp) :: avis !< molecular viscocity of air (kg/(m*s))
3313	REAL(wp) :: Cc !< Cunningham slip-flow correction factor
3314	REAL(wp) :: Kn !< Knudsen number
3315	REAL(wp) :: lambda !< molecular mean free path (m)
3316	REAL(wp) :: mdiff !< particle diffusivity coefficient
3317	REAL(wp) :: pdn !< particle density (kg/m3)
3318	REAL(wp) :: ustar !< friction velocity (m/s)
3319	REAL(wp) :: va !< thermal speed of an air molecule (m/s)
3320	REAL(wp) :: zdwet !< wet diameter (m)
3321
3322	REAL(wp), INTENT(in) :: adn !< air density (kg/m3)
3323	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3324	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3325	REAL(wp), INTENT(in) :: tk !< abs.temperature (K)
3326
3327	REAL(wp), INTENT(inout) :: kvis !< kinematic viscosity of air (m2/s)
3328
3329	REAL(wp), DIMENSION(:), INTENT(inout) :: schmidt_num !< particle Schmidt number
3330	REAL(wp), DIMENSION(:), INTENT(inout) :: vc !< critical fall speed i.e. settling velocity of
3331	!< an aerosol particle (m/s)
3332
3333	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3334	!
3335	!-- Initialise
3336	pdn = 1500.0_wp ! default value
3337	ustar = 0.0_wp
3338	!
3339	!-- Molecular viscosity of air (Eq. 4.54)
3340	avis = 1.8325E-5_wp * ( 416.16_wp / ( tk + 120.0_wp ) ) * ( tk / 296.16_wp )**1.5_wp
3341	!
3342	!-- Kinematic viscosity (Eq. 4.55)
3343	kvis = avis / adn
3344	!
3345	!-- Thermal velocity of an air molecule (Eq. 15.32)
3346	va = SQRT( 8.0_wp * abo * tk / ( pi * am_airmol ) )
3347	!
3348	!-- Mean free path (m) (Eq. 15.24)
3349	lambda = 2.0_wp * avis / ( adn * va )
3350
3351	DO ib = 1, nbins_aerosol
3352
3353	IF ( paero(ib)%numc < nclim ) CYCLE
3354	zdwet = paero(ib)%dwet
3355	!
3356	!-- Knudsen number (Eq. 15.23)
3357	Kn = MAX( 1.0E-2_wp, lambda / ( zdwet * 0.5_wp ) ) ! To avoid underflow
3358	!
3359	!-- Cunningham slip-flow correction (Eq. 15.30)
3360	Cc = 1.0_wp + Kn * ( 1.249_wp + 0.42_wp * EXP( -0.87_wp / Kn ) )
3361
3362	!-- Particle diffusivity coefficient (Eq. 15.29)
3363	mdiff = ( abo * tk * Cc ) / ( 3.0_wp * pi * avis * zdwet )
3364	!
3365	!-- Particle Schmidt number (Eq. 15.36)
3366	schmidt_num(ib) = kvis / mdiff
3367	!
3368	!-- Critical fall speed i.e. settling velocity (Eq. 20.4)
3369	vc(ib) = MIN( 1.0_wp, terminal_vel( 0.5_wp * zdwet, pdn, adn, avis, Cc) )
3370	!
3371	!-- Friction velocity for deposition on vegetation. Calculated following Prandtl (1925):
3372	IF ( lsdepo_pcm .AND. plant_canopy .AND. lad > 0.0_wp ) THEN
3373	ustar = SQRT( cdc ) * mag_u
3374	CALL depo_pcm( paero, ib, vc(ib), mag_u, ustar, kvis, schmidt_num(ib), lad )
3375	ENDIF
3376	ENDDO
3377
3378	END SUBROUTINE deposition
3379
3380	!------------------------------------------------------------------------------!
3381	! Description:
3382	! ------------
3383	!> Calculate change in number and volume concentrations due to deposition on
3384	!> plant canopy.
3385	!------------------------------------------------------------------------------!
3386	SUBROUTINE depo_pcm( paero, ib, vc, mag_u, ustar, kvis_a, schmidt_num, lad )
3387
3388	IMPLICIT NONE
3389
3390	INTEGER(iwp) :: ic !< loop index
3391
3392	INTEGER(iwp), INTENT(in) :: ib !< loop index
3393
3394	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3395	REAL(wp) :: beta_im !< parameter for turbulent impaction
3396	REAL(wp) :: depo !< deposition efficiency
3397	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3398	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3399	REAL(wp) :: c_interception !< coefficient for interception
3400	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3401	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3402	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3403	!< Table 3 in Z01
3404	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3405	REAL(wp) :: rs !< overall quasi-laminar resistance for particles
3406	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3407	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3408	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3409	REAL(wp) :: v_im !< deposition velocity due to impaction
3410	REAL(wp) :: v_in !< deposition velocity due to interception
3411	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3412
3413	REAL(wp), INTENT(in) :: kvis_a !< kinematic viscosity of air (m2/s)
3414	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3415	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3416	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
3417	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
3418	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
3419
3420	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3421	!
3422	!-- Initialise
3423	rs = 0.0_wp
3424	tau_plus = 0.0_wp
3425	v_bd = 0.0_wp
3426	v_im = 0.0_wp
3427	v_in = 0.0_wp
3428	v_it = 0.0_wp
3429
3430	IF ( depo_pcm_par == 'zhang2001' ) THEN
3431	!
3432	!-- Parameters for the land use category 'deciduous broadleaf trees'(Table 3)
3433	alpha = alpha_z01(depo_pcm_type_num)
3434	gamma = gamma_z01(depo_pcm_type_num)
3435	par_a = A_z01(depo_pcm_type_num, season) * 1.0E-3_wp
3436	!
3437	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3438	stokes_num = vc * ustar / ( g * par_a )
3439	!
3440	!-- The overall quasi-laminar resistance for particles (Zhang et al., Eq. 5)
3441	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * ustar * EXP( -stokes_num*0.5_wp ) &
3442	( schmidt_num( -gamma ) + ( stokes_num / ( alpha + stokes_num ) )2 + &
3443	0.5_wp * ( paero(ib)%dwet / par_a )**2 ) ) )
3444
3445	depo = ( rs + vc ) * lad
3446
3447	ELSEIF ( depo_pcm_par == 'petroff2010' ) THEN
3448	!
3449	!-- vd = v_BD + v_IN + v_IM + v_IT + vc
3450	!-- Deposition efficiencies from Table 1. Constants from Table 2.
3451	par_l = l_p10(depo_pcm_type_num) * 0.01_wp
3452	c_brownian_diff = c_b_p10(depo_pcm_type_num)
3453	c_interception = c_in_p10(depo_pcm_type_num)
3454	c_impaction = c_im_p10(depo_pcm_type_num)
3455	beta_im = beta_im_p10(depo_pcm_type_num)
3456	c_turb_impaction = c_it_p10(depo_pcm_type_num)
3457	!
3458	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3459	stokes_num = vc * ustar / ( g * par_l )
3460	!
3461	!-- Non-dimensional relexation time of the particle on top of canopy
3462	tau_plus = vc * ustar*2 / ( kvis_a g )
3463	!
3464	!-- Brownian diffusion
3465	v_bd = mag_u * c_brownian_diff * schmidt_num*( -0.66666666_wp ) &
3466	( mag_u * par_l / kvis_a )**( -0.5_wp )
3467	!
3468	!-- Interception
3469	v_in = mag_u * c_interception * paero(ib)%dwet / par_l * ( 2.0_wp + LOG( 2.0_wp * par_l / &
3470	paero(ib)%dwet ) )
3471	!
3472	!-- Impaction: Petroff (2009) Eq. 18
3473	v_im = mag_u * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
3474	!
3475	!-- Turbulent impaction
3476	IF ( tau_plus < 20.0_wp ) THEN
3477	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
3478	ELSE
3479	v_it = c_turb_impaction
3480	ENDIF
3481
3482	depo = ( v_bd + v_in + v_im + v_it + vc ) * lad
3483
3484	ENDIF
3485	!
3486	!-- Calculate the change in concentrations
3487	paero(ib)%numc = paero(ib)%numc - depo * paero(ib)%numc * dt_salsa
3488	DO ic = 1, maxspec+1
3489	paero(ib)%volc(ic) = paero(ib)%volc(ic) - depo * paero(ib)%volc(ic) * dt_salsa
3490	ENDDO
3491
3492	END SUBROUTINE depo_pcm
3493
3494	!------------------------------------------------------------------------------!
3495	! Description:
3496	! ------------
3497	!> Calculate the dry deposition on horizontal and vertical surfaces. Implement
3498	!> as a surface flux.
3499	!> @todo aerodynamic resistance ignored for now (not important for
3500	! high-resolution simulations)
3501	!------------------------------------------------------------------------------!
3502	SUBROUTINE depo_surf( i, j, surf, vc, schmidt_num, kvis, mag_u, norm, l )
3503
3504	USE arrays_3d, &
3505	ONLY: rho_air_zw
3506
3507	USE surface_mod, &
3508	ONLY: surf_type
3509
3510	IMPLICIT NONE
3511
3512	INTEGER(iwp) :: ib !< loop index
3513	INTEGER(iwp) :: ic !< loop index
3514	INTEGER(iwp) :: icc !< additional loop index
3515	INTEGER(iwp) :: k !< loop index
3516	INTEGER(iwp) :: m !< loop index
3517	INTEGER(iwp) :: surf_e !< End index of surface elements at (j,i)-gridpoint
3518	INTEGER(iwp) :: surf_s !< Start index of surface elements at (j,i)-gridpoint
3519
3520	INTEGER(iwp), INTENT(in) :: i !< loop index
3521	INTEGER(iwp), INTENT(in) :: j !< loop index
3522
3523	INTEGER(iwp), INTENT(in), OPTIONAL :: l !< index variable for surface facing
3524
3525	LOGICAL, INTENT(in) :: norm !< to normalise or not
3526
3527	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3528	REAL(wp) :: beta_im !< parameter for turbulent impaction
3529	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3530	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3531	REAL(wp) :: c_interception !< coefficient for interception
3532	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3533	REAL(wp) :: depo !< deposition efficiency
3534	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3535	REAL(wp) :: norm_fac !< normalisation factor (usually air density)
3536	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3537	!< Table 3 in Z01
3538	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3539	REAL(wp) :: rs !< the overall quasi-laminar resistance for particles
3540	REAL(wp) :: stokes_num !< Stokes number for bluff surface elements
3541	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3542	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3543	REAL(wp) :: v_im !< deposition velocity due to impaction
3544	REAL(wp) :: v_in !< deposition velocity due to interception
3545	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3546
3547	REAL(wp), DIMENSION(:), INTENT(in) :: kvis !< kinematic viscosity of air (m2/s)
3548	REAL(wp), DIMENSION(:), INTENT(in) :: mag_u !< wind velocity (m/s)
3549
3550	REAL(wp), DIMENSION(:,:), INTENT(in) :: schmidt_num !< particle Schmidt number
3551	REAL(wp), DIMENSION(:,:), INTENT(in) :: vc !< terminal velocity (m/s)
3552
3553	TYPE(surf_type), INTENT(inout) :: surf !< respective surface type
3554	!
3555	!-- Initialise
3556	rs = 0.0_wp
3557	surf_s = surf%start_index(j,i)
3558	surf_e = surf%end_index(j,i)
3559	tau_plus = 0.0_wp
3560	v_bd = 0.0_wp
3561	v_im = 0.0_wp
3562	v_in = 0.0_wp
3563	v_it = 0.0_wp
3564	!
3565	!-- Model parameters for the land use category. If LSM is applied, import
3566	!-- characteristics. Otherwise, apply surface type "urban".
3567	alpha = alpha_z01(luc_urban)
3568	gamma = gamma_z01(luc_urban)
3569	par_a = A_z01(luc_urban, season) * 1.0E-3_wp
3570
3571	par_l = l_p10(luc_urban) * 0.01_wp
3572	c_brownian_diff = c_b_p10(luc_urban)
3573	c_interception = c_in_p10(luc_urban)
3574	c_impaction = c_im_p10(luc_urban)
3575	beta_im = beta_im_p10(luc_urban)
3576	c_turb_impaction = c_it_p10(luc_urban)
3577
3578	DO m = surf_s, surf_e
3579	k = surf%k(m)
3580
3581	IF ( norm ) THEN
3582	norm_fac = rho_air_zw(k)
3583	IF ( land_surface ) THEN
3584	alpha = alpha_z01( lsm_to_depo_h%match(m) )
3585	beta_im = beta_im_p10( lsm_to_depo_h%match(m) )
3586	c_brownian_diff = c_b_p10( lsm_to_depo_h%match(m) )
3587	c_impaction = c_im_p10( lsm_to_depo_h%match(m) )
3588	c_interception = c_in_p10( lsm_to_depo_h%match(m) )
3589	c_turb_impaction = c_it_p10( lsm_to_depo_h%match(m) )
3590	gamma = gamma_z01( lsm_to_depo_h%match(m) )
3591	par_a = A_z01( lsm_to_depo_h%match(m), season ) * 1.0E-3_wp
3592	par_l = l_p10( lsm_to_depo_h%match(m) ) * 0.01_wp
3593	ENDIF
3594	ELSE
3595	norm_fac = 0.0_wp
3596	IF ( land_surface ) THEN
3597	alpha = alpha_z01( lsm_to_depo_v(l)%match(m) )
3598	beta_im = beta_im_p10( lsm_to_depo_v(l)%match(m) )
3599	c_brownian_diff = c_b_p10( lsm_to_depo_v(l)%match(m) )
3600	c_impaction = c_im_p10( lsm_to_depo_v(l)%match(m) )
3601	c_interception = c_in_p10( lsm_to_depo_v(l)%match(m) )
3602	c_turb_impaction = c_it_p10( lsm_to_depo_v(l)%match(m) )
3603	gamma = gamma_z01( lsm_to_depo_v(l)%match(m) )
3604	par_a = A_z01( lsm_to_depo_v(l)%match(m), season ) * 1.0E-3_wp
3605	par_l = l_p10( lsm_to_depo_v(l)%match(m) ) * 0.01_wp
3606	ENDIF
3607	ENDIF
3608
3609	DO ib = 1, nbins_aerosol
3610	IF ( aerosol_number(ib)%conc(k,j,i) <= nclim .OR. schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
3611
3612	IF ( depo_surf_par == 'zhang2001' ) THEN
3613	!
3614	!-- Stokes number for smooth surfaces or surfaces with bluff roughness
3615	!-- elements (Seinfeld and Pandis, 2nd edition (2006): Eq. 19.23)
3616	stokes_num = MAX( 0.01_wp, vc(k+1,ib) * surf%us(m)*2 / ( g kvis(k+1) ) )
3617	!
3618	!-- The overall quasi-laminar resistance for particles (Eq. 5)
3619	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * surf%us(m) * ( schmidt_num(k+1,ib)**( -gamma )&
3620	+ ( stokes_num / ( alpha + stokes_num ) )*2 + 0.5_wp ( ra_dry(k,j,i,ib) /&
3621	par_a )*2 ) EXP( -stokes_num**0.5_wp ) ) )
3622	depo = vc(k+1,ib) + rs
3623
3624	ELSEIF ( depo_surf_par == 'petroff2010' ) THEN
3625	!
3626	!-- vd = v_BD + v_IN + v_IM + v_IT + vc
3627	!
3628	!-- Stokes number for smooth surfaces or surfaces with bluff roughness
3629	!-- elements (Seinfeld and Pandis, 2nd edition (2006): Eq. 19.23)
3630	stokes_num = MAX( 0.01_wp, vc(k+1,ib) * surf%us(m)*2 / ( g kvis(k+1) ) )
3631	!
3632	!-- Non-dimensional relexation time of the particle on top of canopy
3633	tau_plus = vc(k+1,ib) * surf%us(m)*2 / ( kvis(k+1) g )
3634	!
3635	!-- Brownian diffusion
3636	v_bd = mag_u(k+1) * c_brownian_diff * schmidt_num(k+1,ib)*( -0.666666_wp ) &
3637	( mag_u(k+1) * par_l / kvis(k+1) )**( -0.5_wp )
3638	!
3639	!-- Interception
3640	v_in = mag_u(k+1) * c_interception * ra_dry(k,j,i,ib)/ par_l * &
3641	( 2.0_wp + LOG( 2.0_wp * par_l / ra_dry(k,j,i,ib) ) )
3642	!
3643	!-- Impaction: Petroff (2009) Eq. 18
3644	v_im = mag_u(k+1) * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
3645
3646	IF ( tau_plus < 20.0_wp ) THEN
3647	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
3648	ELSE
3649	v_it = c_turb_impaction
3650	ENDIF
3651	depo = v_bd + v_in + v_im + v_it + vc(k+1,ib)
3652
3653	ENDIF
3654	!
3655	!-- Calculate changes in surface fluxes due to dry deposition
3656	IF ( aero_emission_att%lod == 2 .OR. salsa_emission_mode == 'no_emission' ) THEN
3657	surf%answs(m,ib) = -depo * norm_fac * aerosol_number(ib)%conc(k,j,i)
3658	DO ic = 1, ncomponents_mass
3659	icc = ( ic - 1 ) * nbins_aerosol + ib
3660	surf%amsws(m,icc) = -depo * norm_fac * aerosol_mass(icc)%conc(k,j,i)
3661	ENDDO ! ic
3662	ELSE
3663	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - &
3664	MAX( 0.0_wp, depo * norm_fac * aerosol_number(ib)%conc(k,j,i) )
3665	DO ic = 1, ncomponents_mass
3666	icc = ( ic - 1 ) * nbins_aerosol + ib
3667	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - &
3668	MAX( 0.0_wp, depo * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
3669	ENDDO ! ic
3670	ENDIF
3671	ENDDO ! ib
3672	ENDDO ! m
3673
3674	END SUBROUTINE depo_surf
3675
3676	!------------------------------------------------------------------------------!
3677	! Description:
3678	! ------------
3679	! Function for calculating terminal velocities for different particles sizes.
3680	!------------------------------------------------------------------------------!
3681	REAL(wp) FUNCTION terminal_vel( radius, rhop, rhoa, visc, beta )
3682
3683	IMPLICIT NONE
3684
3685	REAL(wp), INTENT(in) :: beta !< Cunningham correction factor
3686	REAL(wp), INTENT(in) :: radius !< particle radius (m)
3687	REAL(wp), INTENT(in) :: rhop !< particle density (kg/m3)
3688	REAL(wp), INTENT(in) :: rhoa !< air density (kg/m3)
3689	REAL(wp), INTENT(in) :: visc !< molecular viscosity of air (kg/(m*s))
3690
3691	!
3692	!-- Stokes law with Cunningham slip correction factor
3693	terminal_vel = 4.0_wp * radius*2 ( rhop - rhoa ) * g * beta / ( 18.0_wp * visc ) ! (m/s)
3694
3695	END FUNCTION terminal_vel
3696
3697	!------------------------------------------------------------------------------!
3698	! Description:
3699	! ------------
3700	!> Calculates particle loss and change in size distribution due to (Brownian)
3701	!> coagulation. Only for particles with dwet < 30 micrometres.
3702	!
3703	!> Method:
3704	!> Semi-implicit, non-iterative method: (Jacobson, 1994)
3705	!> Volume concentrations of the smaller colliding particles added to the bin of
3706	!> the larger colliding particles. Start from first bin and use the updated
3707	!> number and volume for calculation of following bins. NB! Our bin numbering
3708	!> does not follow particle size in subrange 2.
3709	!
3710	!> Schematic for bin numbers in different subranges:
3711	!> 1 2
3712	!> +-------------------------------------------+
3713	!> a \| 1 \| 2 \| 3 \|\| 4 \| 5 \| 6 \| 7 \| 8 \| 9 \| 10\|\|
3714	!> b \| \|\|11 \|12 \|13 \|14 \| 15 \| 16 \| 17\|\|
3715	!> +-------------------------------------------+
3716	!
3717	!> Exact coagulation coefficients for each pressure level are scaled according
3718	!> to current particle wet size (linear scaling).
3719	!> Bins are organized in terms of the dry size of the condensation nucleus,
3720	!> while coagulation kernell is calculated with the actual hydrometeor
3721	!> size.
3722	!
3723	!> Called from salsa_driver
3724	!> fxm: Process selection should be made smarter - now just lots of IFs inside
3725	!> loops
3726	!
3727	!> Coded by:
3728	!> Hannele Korhonen (FMI) 2005
3729	!> Harri Kokkola (FMI) 2006
3730	!> Tommi Bergman (FMI) 2012
3731	!> Matti Niskanen(FMI) 2012
3732	!> Anton Laakso (FMI) 2013
3733	!> Juha Tonttila (FMI) 2014
3734	!------------------------------------------------------------------------------!
3735	SUBROUTINE coagulation( paero, ptstep, ptemp, ppres )
3736
3737	IMPLICIT NONE
3738
3739	INTEGER(iwp) :: index_2a !< corresponding bin in subrange 2a
3740	INTEGER(iwp) :: index_2b !< corresponding bin in subrange 2b
3741	INTEGER(iwp) :: ib !< loop index
3742	INTEGER(iwp) :: ll !< loop index
3743	INTEGER(iwp) :: mm !< loop index
3744	INTEGER(iwp) :: nn !< loop index
3745
3746	REAL(wp) :: pressi !< pressure
3747	REAL(wp) :: temppi !< temperature
3748	REAL(wp) :: zdpart_mm !< diameter of particle (m)
3749	REAL(wp) :: zdpart_nn !< diameter of particle (m)
3750	REAL(wp) :: zminusterm !< coagulation loss in a bin (1/s)
3751
3752	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
3753	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
3754	REAL(wp), INTENT(in) :: ptstep !< time step (s)
3755
3756	REAL(wp), DIMENSION(nbins_aerosol) :: zmpart !< approximate mass of particles (kg)
3757	REAL(wp), DIMENSION(maxspec+1) :: zplusterm !< coagulation gain in a bin (for each
3758	!< chemical compound)
3759	REAL(wp), DIMENSION(nbins_aerosol,nbins_aerosol) :: zcc !< updated coagulation coefficients (m3/s)
3760
3761	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
3762
3763	zdpart_mm = 0.0_wp
3764	zdpart_nn = 0.0_wp
3765	!
3766	!-- 1) Coagulation to coarse mode calculated in a simplified way:
3767	!-- CoagSink ~ Dp in continuum subrange, thus we calculate 'effective'
3768	!-- number concentration of coarse particles
3769
3770	!-- 2) Updating coagulation coefficients
3771	!
3772	!-- Aerosol mass (kg). Density of 1500 kg/m3 assumed
3773	zmpart(1:end_subrange_2b) = api6 * ( MIN( paero(1:end_subrange_2b)%dwet, 30.0E-6_wp )**3 ) &
3774	* 1500.0_wp
3775	temppi = ptemp
3776	pressi = ppres
3777	zcc = 0.0_wp
3778	!
3779	!-- Aero-aero coagulation
3780	DO mm = 1, end_subrange_2b ! smaller colliding particle
3781	IF ( paero(mm)%numc < nclim ) CYCLE
3782	DO nn = mm, end_subrange_2b ! larger colliding particle
3783	IF ( paero(nn)%numc < nclim ) CYCLE
3784
3785	zdpart_mm = MIN( paero(mm)%dwet, 30.0E-6_wp ) ! Limit to 30 um
3786	zdpart_nn = MIN( paero(nn)%dwet, 30.0E-6_wp ) ! Limit to 30 um
3787	!
3788	!-- Coagulation coefficient of particles (m3/s)
3789	zcc(mm,nn) = coagc( zdpart_mm, zdpart_nn, zmpart(mm), zmpart(nn), temppi, pressi )
3790	zcc(nn,mm) = zcc(mm,nn)
3791	ENDDO
3792	ENDDO
3793
3794	!
3795	!-- 3) New particle and volume concentrations after coagulation:
3796	!-- Calculated according to Jacobson (2005) eq. 15.9
3797	!
3798	!-- Aerosols in subrange 1a:
3799	DO ib = start_subrange_1a, end_subrange_1a
3800	IF ( paero(ib)%numc < nclim ) CYCLE
3801	zminusterm = 0.0_wp
3802	zplusterm(:) = 0.0_wp
3803	!
3804	!-- Particles lost by coagulation with larger aerosols
3805	DO ll = ib+1, end_subrange_2b
3806	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3807	ENDDO
3808	!
3809	!-- Coagulation gain in a bin: change in volume conc. (cm3/cm3):
3810	DO ll = start_subrange_1a, ib - 1
3811	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
3812	zplusterm(6:7) = zplusterm(6:7) + zcc(ll,ib) * paero(ll)%volc(6:7)
3813	zplusterm(8) = zplusterm(8) + zcc(ll,ib) * paero(ll)%volc(8)
3814	ENDDO
3815	!
3816	!-- Volume and number concentrations after coagulation update [fxm]
3817	paero(ib)%volc(1:2) = ( paero(ib)%volc(1:2) + ptstep * zplusterm(1:2) * paero(ib)%numc ) / &
3818	( 1.0_wp + ptstep * zminusterm )
3819	paero(ib)%volc(6:8) = ( paero(ib)%volc(6:8) + ptstep * zplusterm(6:8) * paero(ib)%numc ) / &
3820	( 1.0_wp + ptstep * zminusterm )
3821	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
3822	zcc(ib,ib) * paero(ib)%numc )
3823	ENDDO
3824	!
3825	!-- Aerosols in subrange 2a:
3826	DO ib = start_subrange_2a, end_subrange_2a
3827	IF ( paero(ib)%numc < nclim ) CYCLE
3828	zminusterm = 0.0_wp
3829	zplusterm(:) = 0.0_wp
3830	!
3831	!-- Find corresponding size bin in subrange 2b
3832	index_2b = ib - start_subrange_2a + start_subrange_2b
3833	!
3834	!-- Particles lost by larger particles in 2a
3835	DO ll = ib+1, end_subrange_2a
3836	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3837	ENDDO
3838	!
3839	!-- Particles lost by larger particles in 2b
3840	IF ( .NOT. no_insoluble ) THEN
3841	DO ll = index_2b+1, end_subrange_2b
3842	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3843	ENDDO
3844	ENDIF
3845	!
3846	!-- Particle volume gained from smaller particles in subranges 1, 2a and 2b
3847	DO ll = start_subrange_1a, ib-1
3848	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
3849	zplusterm(6:8) = zplusterm(6:8) + zcc(ll,ib) * paero(ll)%volc(6:8)
3850	ENDDO
3851	!
3852	!-- Particle volume gained from smaller particles in 2a
3853	!-- (Note, for components not included in the previous loop!)
3854	DO ll = start_subrange_2a, ib-1
3855	zplusterm(3:5) = zplusterm(3:5) + zcc(ll,ib)*paero(ll)%volc(3:5)
3856	ENDDO
3857	!
3858	!-- Particle volume gained from smaller (and equal) particles in 2b
3859	IF ( .NOT. no_insoluble ) THEN
3860	DO ll = start_subrange_2b, index_2b
3861	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
3862	ENDDO
3863	ENDIF
3864	!
3865	!-- Volume and number concentrations after coagulation update [fxm]
3866	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) / &
3867	( 1.0_wp + ptstep * zminusterm )
3868	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
3869	zcc(ib,ib) * paero(ib)%numc )
3870	ENDDO
3871	!
3872	!-- Aerosols in subrange 2b:
3873	IF ( .NOT. no_insoluble ) THEN
3874	DO ib = start_subrange_2b, end_subrange_2b
3875	IF ( paero(ib)%numc < nclim ) CYCLE
3876	zminusterm = 0.0_wp
3877	zplusterm(:) = 0.0_wp
3878	!
3879	!-- Find corresponding size bin in subsubrange 2a
3880	index_2a = ib - start_subrange_2b + start_subrange_2a
3881	!
3882	!-- Particles lost to larger particles in subranges 2b
3883	DO ll = ib + 1, end_subrange_2b
3884	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3885	ENDDO
3886	!
3887	!-- Particles lost to larger and equal particles in 2a
3888	DO ll = index_2a, end_subrange_2a
3889	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3890	ENDDO
3891	!
3892	!-- Particle volume gained from smaller particles in subranges 1 & 2a
3893	DO ll = start_subrange_1a, index_2a - 1
3894	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
3895	ENDDO
3896	!
3897	!-- Particle volume gained from smaller particles in 2b
3898	DO ll = start_subrange_2b, ib - 1
3899	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
3900	ENDDO
3901	!
3902	!-- Volume and number concentrations after coagulation update [fxm]
3903	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) &
3904	/ ( 1.0_wp + ptstep * zminusterm )
3905	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
3906	zcc(ib,ib) * paero(ib)%numc )
3907	ENDDO
3908	ENDIF
3909
3910	END SUBROUTINE coagulation
3911
3912	!------------------------------------------------------------------------------!
3913	! Description:
3914	! ------------
3915	!> Calculation of coagulation coefficients. Extended version of the function
3916	!> originally found in mo_salsa_init.
3917	!
3918	!> J. Tonttila, FMI, 05/2014
3919	!------------------------------------------------------------------------------!
3920	REAL(wp) FUNCTION coagc( diam1, diam2, mass1, mass2, temp, pres )
3921
3922	IMPLICIT NONE
3923
3924	REAL(wp) :: fmdist !< distance of flux matching (m)
3925	REAL(wp) :: knud_p !< particle Knudsen number
3926	REAL(wp) :: mdiam !< mean diameter of colliding particles (m)
3927	REAL(wp) :: mfp !< mean free path of air molecules (m)
3928	REAL(wp) :: visc !< viscosity of air (kg/(m s))
3929
3930	REAL(wp), INTENT(in) :: diam1 !< diameter of colliding particle 1 (m)
3931	REAL(wp), INTENT(in) :: diam2 !< diameter of colliding particle 2 (m)
3932	REAL(wp), INTENT(in) :: mass1 !< mass of colliding particle 1 (kg)
3933	REAL(wp), INTENT(in) :: mass2 !< mass of colliding particle 2 (kg)
3934	REAL(wp), INTENT(in) :: pres !< ambient pressure (Pa?) [fxm]
3935	REAL(wp), INTENT(in) :: temp !< ambient temperature (K)
3936
3937	REAL(wp), DIMENSION (2) :: beta !< Cunningham correction factor
3938	REAL(wp), DIMENSION (2) :: dfpart !< particle diffusion coefficient (m2/s)
3939	REAL(wp), DIMENSION (2) :: diam !< diameters of particles (m)
3940	REAL(wp), DIMENSION (2) :: flux !< flux in continuum and free molec. regime (m/s)
3941	REAL(wp), DIMENSION (2) :: knud !< particle Knudsen number
3942	REAL(wp), DIMENSION (2) :: mpart !< masses of particles (kg)
3943	REAL(wp), DIMENSION (2) :: mtvel !< particle mean thermal velocity (m/s)
3944	REAL(wp), DIMENSION (2) :: omega !< particle mean free path
3945	REAL(wp), DIMENSION (2) :: tva !< temporary variable (m)
3946	!
3947	!-- Initialisation
3948	coagc = 0.0_wp
3949	!
3950	!-- 1) Initializing particle and ambient air variables
3951	diam = (/ diam1, diam2 /) !< particle diameters (m)
3952	mpart = (/ mass1, mass2 /) !< particle masses (kg)
3953	!
3954	!-- Viscosity of air (kg/(m s))
3955	visc = ( 7.44523E-3_wp * temp ** 1.5_wp ) / ( 5093.0_wp * ( temp + 110.4_wp ) )
3956	!
3957	!-- Mean free path of air (m)
3958	mfp = ( 1.656E-10_wp * temp + 1.828E-8_wp ) * ( p_0 + 1325.0_wp ) / pres
3959	!
3960	!-- 2) Slip correction factor for small particles
3961	knud = 2.0_wp * EXP( LOG(mfp) - LOG(diam) )! Knudsen number for air (15.23)
3962	!
3963	!-- Cunningham correction factor (Allen and Raabe, Aerosol Sci. Tech. 4, 269)
3964	beta = 1.0_wp + knud * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / knud ) )
3965	!
3966	!-- 3) Particle properties
3967	!-- Diffusion coefficient (m2/s) (Jacobson (2005) eq. 15.29)
3968	dfpart = beta * abo * temp / ( 3.0_wp * pi * visc * diam )
3969	!
3970	!-- Mean thermal velocity (m/s) (Jacobson (2005) eq. 15.32)
3971	mtvel = SQRT( ( 8.0_wp * abo * temp ) / ( pi * mpart ) )
3972	!
3973	!-- Particle mean free path (m) (Jacobson (2005) eq. 15.34 )
3974	omega = 8.0_wp * dfpart / ( pi * mtvel )
3975	!
3976	!-- Mean diameter (m)
3977	mdiam = 0.5_wp * ( diam(1) + diam(2) )
3978	!
3979	!-- 4) Calculation of fluxes (Brownian collision kernels) and flux matching
3980	!-- following Jacobson (2005):
3981	!
3982	!-- Flux in continuum regime (m3/s) (eq. 15.28)
3983	flux(1) = 4.0_wp * pi * mdiam * ( dfpart(1) + dfpart(2) )
3984	!
3985	!-- Flux in free molec. regime (m3/s) (eq. 15.31)
3986	flux(2) = pi * SQRT( ( mtvel(1)2 ) + ( mtvel(2)2 ) ) * ( mdiam**2 )
3987	!
3988	!-- temporary variables (m) to calculate flux matching distance (m)
3989	tva(1) = ( ( mdiam + omega(1) )3 - ( mdiam2 + omega(1)*2 ) SQRT( ( mdiam**2 + &
3990	omega(1)*2 ) ) ) / ( 3.0_wp mdiam * omega(1) ) - mdiam
3991	tva(2) = ( ( mdiam + omega(2) )3 - ( mdiam2 + omega(2)*2 ) SQRT( ( mdiam**2 + &
3992	omega(2)*2 ) ) ) / ( 3.0_wp mdiam * omega(2) ) - mdiam
3993	!
3994	!-- Flux matching distance (m): the mean distance from the centre of a sphere reached by particles
3995	!-- that leave sphere's surface and travel a distance of particle mean free path (eq. 15.34)
3996	fmdist = SQRT( tva(1)2 + tva(2)2 )
3997	!
3998	!-- 5) Coagulation coefficient = coalescence efficiency * collision kernel (m3/s) (eq. 15.33).
3999	!-- Here assumed coalescence efficiency 1!!
4000	coagc = flux(1) / ( mdiam / ( mdiam + fmdist) + flux(1) / flux(2) )
4001	!
4002	!-- Corrected collision kernel (Karl et al., 2016 (ACP)): Include van der Waals and viscous forces
4003	IF ( van_der_waals_coagc ) THEN
4004	knud_p = SQRT( omega(1)2 + omega(2)2 ) / mdiam
4005	IF ( knud_p >= 0.1_wp .AND. knud_p <= 10.0_wp ) THEN
4006	coagc = coagc * ( 2.0_wp + 0.4_wp * LOG( knud_p ) )
4007	ELSE
4008	coagc = coagc * 3.0_wp
4009	ENDIF
4010	ENDIF
4011
4012	END FUNCTION coagc
4013
4014	!------------------------------------------------------------------------------!
4015	! Description:
4016	! ------------
4017	!> Calculates the change in particle volume and gas phase
4018	!> concentrations due to nucleation, condensation and dissolutional growth.
4019	!
4020	!> Sulphuric acid and organic vapour: only condensation and no evaporation.
4021	!
4022	!> New gas and aerosol phase concentrations calculated according to Jacobson
4023	!> (1997): Numerical techniques to solve condensational and dissolutional growth
4024	!> equations when growth is coupled to reversible reactions, Aerosol Sci. Tech.,
4025	!> 27, pp 491-498.
4026	!
4027	!> Following parameterization has been used:
4028	!> Molecular diffusion coefficient of condensing vapour (m2/s)
4029	!> (Reid et al. (1987): Properties of gases and liquids, McGraw-Hill, New York.)
4030	!> D = {1.d-7sqrt(1/M_air + 1/M_gas)T^1.75} / &
4031	! {p_atm/p_stand * (d_air^(1/3) + d_gas^(1/3))^2 }
4032	!> M_air = 28.965 : molar mass of air (g/mol)
4033	!> d_air = 19.70 : diffusion volume of air
4034	!> M_h2so4 = 98.08 : molar mass of h2so4 (g/mol)
4035	!> d_h2so4 = 51.96 : diffusion volume of h2so4
4036	!
4037	!> Called from main aerosol model
4038	!> For equations, see Jacobson, Fundamentals of Atmospheric Modeling, 2nd Edition (2005)
4039	!
4040	!> Coded by:
4041	!> Hannele Korhonen (FMI) 2005
4042	!> Harri Kokkola (FMI) 2006
4043	!> Juha Tonttila (FMI) 2014
4044	!> Rewritten to PALM by Mona Kurppa (UHel) 2017
4045	!------------------------------------------------------------------------------!
4046	SUBROUTINE condensation( paero, pc_sa, pc_ocnv, pcocsv, pchno3, pc_nh3, pcw, pcs, ptemp, ppres, &
4047	ptstep, prtcl )
4048
4049	IMPLICIT NONE
4050
4051	INTEGER(iwp) :: ss !< start index
4052	INTEGER(iwp) :: ee !< end index
4053
4054	REAL(wp) :: zcs_ocnv !< condensation sink of nonvolatile organics (1/s)
4055	REAL(wp) :: zcs_ocsv !< condensation sink of semivolatile organics (1/s)
4056	REAL(wp) :: zcs_su !< condensation sink of sulfate (1/s)
4057	REAL(wp) :: zcs_tot !< total condensation sink (1/s) (gases)
4058	REAL(wp) :: zcvap_new1 !< vapour concentration after time step (#/m3): sulphuric acid
4059	REAL(wp) :: zcvap_new2 !< nonvolatile organics
4060	REAL(wp) :: zcvap_new3 !< semivolatile organics
4061	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4062	REAL(wp) :: zdvap1 !< change in vapour concentration (#/m3): sulphuric acid
4063	REAL(wp) :: zdvap2 !< nonvolatile organics
4064	REAL(wp) :: zdvap3 !< semivolatile organics
4065	REAL(wp) :: zmfp !< mean free path of condensing vapour (m)
4066	REAL(wp) :: zrh !< Relative humidity [0-1]
4067	REAL(wp) :: zvisc !< viscosity of air (kg/(m s))
4068	REAL(wp) :: zn_vs_c !< ratio of nucleation of all mass transfer in the smallest bin
4069	REAL(wp) :: zxocnv !< ratio of organic vapour in 3nm particles
4070	REAL(wp) :: zxsa !< Ratio in 3nm particles: sulphuric acid
4071
4072	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
4073	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
4074	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4075	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
4076
4077	REAL(wp), INTENT(inout) :: pchno3 !< Gas concentrations (#/m3): nitric acid HNO3
4078	REAL(wp), INTENT(inout) :: pc_nh3 !< ammonia NH3
4079	REAL(wp), INTENT(inout) :: pc_ocnv !< non-volatile organics
4080	REAL(wp), INTENT(inout) :: pcocsv !< semi-volatile organics
4081	REAL(wp), INTENT(inout) :: pc_sa !< sulphuric acid H2SO4
4082	REAL(wp), INTENT(inout) :: pcw !< Water vapor concentration (kg/m3)
4083
4084	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
4085	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate !< collision rate (1/s)
4086	REAL(wp), DIMENSION(nbins_aerosol) :: zcolrate_ocnv !< collision rate of non-vol. OC (1/s)
4087	REAL(wp), DIMENSION(start_subrange_1a+1) :: zdfpart !< particle diffusion coefficient (m2/s)
4088	REAL(wp), DIMENSION(nbins_aerosol) :: zdvoloc !< change of organics volume
4089	REAL(wp), DIMENSION(nbins_aerosol) :: zdvolsa !< change of sulphate volume
4090	REAL(wp), DIMENSION(2) :: zj3n3 !< Formation massrate of molecules
4091	!< in nucleation, (molec/m3s),
4092	!< 1: H2SO4 and 2: organic vapor
4093	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
4094
4095	TYPE(component_index), INTENT(in) :: prtcl !< Keeps track which substances are used
4096
4097	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
4098
4099	zj3n3 = 0.0_wp
4100	zrh = pcw / pcs
4101	zxocnv = 0.0_wp
4102	zxsa = 0.0_wp
4103	!
4104	!-- Nucleation
4105	IF ( nsnucl > 0 ) THEN
4106	CALL nucleation( paero, ptemp, zrh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, zj3n3, zxsa, &
4107	zxocnv )
4108	ENDIF
4109	!
4110	!-- Condensation on pre-existing particles
4111	IF ( lscndgas ) THEN
4112	!
4113	!-- Initialise:
4114	zdvolsa = 0.0_wp
4115	zdvoloc = 0.0_wp
4116	zcolrate = 0.0_wp
4117	!
4118	!-- 1) Properties of air and condensing gases:
4119	!-- Viscosity of air (kg/(m s)) (Eq. 4.54 in Jabonson (2005))
4120	zvisc = ( 7.44523E-3_wp * ptemp ** 1.5_wp ) / ( 5093.0_wp * ( ptemp + 110.4_wp ) )
4121	!
4122	!-- Diffusion coefficient of air (m2/s)
4123	zdfvap = 5.1111E-10_wp * ptemp ** 1.75_wp * ( p_0 + 1325.0_wp ) / ppres
4124	!
4125	!-- Mean free path (m): same for H2SO4 and organic compounds
4126	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
4127	!
4128	!-- 2) Transition regime correction factor zbeta for particles (Fuchs and Sutugin (1971)):
4129	!-- Size of condensing molecule considered only for nucleation mode (3 - 20 nm).
4130	!
4131	!-- Particle Knudsen number: condensation of gases on aerosols
4132	ss = start_subrange_1a
4133	ee = start_subrange_1a+1
4134	zknud(ss:ee) = 2.0_wp * zmfp / ( paero(ss:ee)%dwet + d_sa )
4135	ss = start_subrange_1a+2
4136	ee = end_subrange_2b
4137	zknud(ss:ee) = 2.0_wp * zmfp / paero(ss:ee)%dwet
4138	!
4139	!-- Transitional correction factor: aerosol + gas (the semi-empirical Fuchs- Sutugin
4140	!-- interpolation function (Fuchs and Sutugin, 1971))
4141	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
4142	( zknud + zknud ** 2 ) )
4143	!
4144	!-- 3) Collision rate of molecules to particles
4145	!-- Particle diffusion coefficient considered only for nucleation mode (3 - 20 nm)
4146	!
4147	!-- Particle diffusion coefficient (m2/s) (e.g. Eq. 15.29 in Jacobson (2005))
4148	zdfpart = abo * ptemp * zbeta(start_subrange_1a:start_subrange_1a+1) / ( 3.0_wp * pi * zvisc&
4149	* paero(start_subrange_1a:start_subrange_1a+1)%dwet)
4150	!
4151	!-- Collision rate (mass-transfer coefficient): gases on aerosols (1/s) (Eq. 16.64 in
4152	!-- Jacobson (2005))
4153	ss = start_subrange_1a
4154	ee = start_subrange_1a+1
4155	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * ( paero(ss:ee)%dwet + d_sa ) * ( zdfvap + zdfpart ) *&
4156	zbeta(ss:ee) * paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4157	ss = start_subrange_1a+2
4158	ee = end_subrange_2b
4159	zcolrate(ss:ee) = MERGE( 2.0_wp * pi * paero(ss:ee)%dwet * zdfvap * zbeta(ss:ee) * &
4160	paero(ss:ee)%numc, 0.0_wp, paero(ss:ee)%numc > nclim )
4161	!
4162	!-- 4) Condensation sink (1/s)
4163	zcs_tot = SUM( zcolrate ) ! total sink
4164	!
4165	!-- 5) Changes in gas-phase concentrations and particle volume
4166	!
4167	!-- 5.1) Organic vapours
4168	!
4169	!-- 5.1.1) Non-volatile organic compound: condenses onto all bins
4170	IF ( pc_ocnv > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_oc > 0 ) &
4171	THEN
4172	!-- Ratio of nucleation vs. condensation rates in the smallest bin
4173	zn_vs_c = 0.0_wp
4174	IF ( zj3n3(2) > 1.0_wp ) THEN
4175	zn_vs_c = ( zj3n3(2) ) / ( zj3n3(2) + pc_ocnv * zcolrate(start_subrange_1a) )
4176	ENDIF
4177	!
4178	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4179	!-- Jacobson (2005), eq. (16.73) )
4180	zcolrate_ocnv = zcolrate
4181	zcolrate_ocnv(start_subrange_1a) = zcolrate_ocnv(start_subrange_1a) + zj3n3(2) / pc_ocnv
4182	!
4183	!-- Total sink for organic vapor
4184	zcs_ocnv = zcs_tot + zj3n3(2) / pc_ocnv
4185	!
4186	!-- New gas phase concentration (#/m3)
4187	zcvap_new2 = pc_ocnv / ( 1.0_wp + ptstep * zcs_ocnv )
4188	!
4189	!-- Change in gas concentration (#/m3)
4190	zdvap2 = pc_ocnv - zcvap_new2
4191	!
4192	!-- Updated vapour concentration (#/m3)
4193	pc_ocnv = zcvap_new2
4194	!
4195	!-- Volume change of particles (m3(OC)/m3(air))
4196	zdvoloc = zcolrate_ocnv(start_subrange_1a:end_subrange_2b) / zcs_ocnv * amvoc * zdvap2
4197	!
4198	!-- Change of volume due to condensation in 1a-2b
4199	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4200	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4201	!
4202	!-- Change of number concentration in the smallest bin caused by nucleation (Jacobson (2005),
4203	!-- eq. (16.75)). If zxocnv = 0, then the chosen nucleation mechanism doesn't take into
4204	!-- account the non-volatile organic vapors and thus the paero doesn't have to be updated.
4205	IF ( zxocnv > 0.0_wp ) THEN
4206	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4207	zdvoloc(start_subrange_1a) / amvoc / ( n3 * zxocnv )
4208	ENDIF
4209	ENDIF
4210	!
4211	!-- 5.1.2) Semivolatile organic compound: all bins except subrange 1
4212	zcs_ocsv = SUM( zcolrate(start_subrange_2a:end_subrange_2b) ) !< sink for semi-volatile organics
4213	IF ( pcocsv > 1.0E+10_wp .AND. zcs_ocsv > 1.0E-30 .AND. is_used( prtcl,'OC') ) THEN
4214	!
4215	!-- New gas phase concentration (#/m3)
4216	zcvap_new3 = pcocsv / ( 1.0_wp + ptstep * zcs_ocsv )
4217	!
4218	!-- Change in gas concentration (#/m3)
4219	zdvap3 = pcocsv - zcvap_new3
4220	!
4221	!-- Updated gas concentration (#/m3)
4222	pcocsv = zcvap_new3
4223	!
4224	!-- Volume change of particles (m3(OC)/m3(air))
4225	ss = start_subrange_2a
4226	ee = end_subrange_2b
4227	zdvoloc(ss:ee) = zdvoloc(ss:ee) + zcolrate(ss:ee) / zcs_ocsv * amvoc * zdvap3
4228	!
4229	!-- Change of volume due to condensation in 1a-2b
4230	paero(start_subrange_1a:end_subrange_2b)%volc(2) = &
4231	paero(start_subrange_1a:end_subrange_2b)%volc(2) + zdvoloc
4232	ENDIF
4233	!
4234	!-- 5.2) Sulphate: condensed on all bins
4235	IF ( pc_sa > 1.0E+10_wp .AND. zcs_tot > 1.0E-30_wp .AND. index_so4 > 0 ) THEN
4236	!
4237	!-- Ratio of mass transfer between nucleation and condensation
4238	zn_vs_c = 0.0_wp
4239	IF ( zj3n3(1) > 1.0_wp ) THEN
4240	zn_vs_c = ( zj3n3(1) ) / ( zj3n3(1) + pc_sa * zcolrate(start_subrange_1a) )
4241	ENDIF
4242	!
4243	!-- Collision rate in the smallest bin, including nucleation and condensation (see
4244	!-- Jacobson (2005), eq. (16.73))
4245	zcolrate(start_subrange_1a) = zcolrate(start_subrange_1a) + zj3n3(1) / pc_sa
4246	!
4247	!-- Total sink for sulfate (1/s)
4248	zcs_su = zcs_tot + zj3n3(1) / pc_sa
4249	!
4250	!-- Sulphuric acid:
4251	!-- New gas phase concentration (#/m3)
4252	zcvap_new1 = pc_sa / ( 1.0_wp + ptstep * zcs_su )
4253	!
4254	!-- Change in gas concentration (#/m3)
4255	zdvap1 = pc_sa - zcvap_new1
4256	!
4257	!-- Updating vapour concentration (#/m3)
4258	pc_sa = zcvap_new1
4259	!
4260	!-- Volume change of particles (m3(SO4)/m3(air)) by condensation
4261	zdvolsa = zcolrate(start_subrange_1a:end_subrange_2b) / zcs_su * amvh2so4 * zdvap1
4262	!
4263	!-- Change of volume concentration of sulphate in aerosol [fxm]
4264	paero(start_subrange_1a:end_subrange_2b)%volc(1) = &
4265	paero(start_subrange_1a:end_subrange_2b)%volc(1) + zdvolsa
4266	!
4267	!-- Change of number concentration in the smallest bin caused by nucleation
4268	!-- (Jacobson (2005), equation (16.75))
4269	IF ( zxsa > 0.0_wp ) THEN
4270	paero(start_subrange_1a)%numc = paero(start_subrange_1a)%numc + zn_vs_c * &
4271	zdvolsa(start_subrange_1a) / amvh2so4 / ( n3 * zxsa)
4272	ENDIF
4273	ENDIF
4274	!
4275	!-- Partitioning of H2O, HNO3, and NH3: Dissolutional growth
4276	IF ( lspartition .AND. ( pchno3 > 1.0E+10_wp .OR. pc_nh3 > 1.0E+10_wp ) ) THEN
4277	CALL gpparthno3( ppres, ptemp, paero, pchno3, pc_nh3, pcw, pcs, zbeta, ptstep )
4278	ENDIF
4279	ENDIF
4280	!
4281	!-- Condensation of water vapour
4282	IF ( lscndh2oae ) THEN
4283	CALL gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
4284	ENDIF
4285
4286	END SUBROUTINE condensation
4287
4288	!------------------------------------------------------------------------------!
4289	! Description:
4290	! ------------
4291	!> Calculates the particle number and volume increase, and gas-phase
4292	!> concentration decrease due to nucleation subsequent growth to detectable size
4293	!> of 3 nm.
4294	!
4295	!> Method:
4296	!> When the formed clusters grow by condensation (possibly also by self-
4297	!> coagulation), their number is reduced due to scavenging to pre-existing
4298	!> particles. Thus, the apparent nucleation rate at 3 nm is significantly lower
4299	!> than the real nucleation rate (at ~1 nm).
4300	!
4301	!> Calculation of the formation rate of detectable particles at 3 nm (i.e. J3):
4302	!> nj3 = 1: Kerminen, V.-M. and Kulmala, M. (2002), J. Aerosol Sci.,33, 609-622.
4303	!> nj3 = 2: Lehtinen et al. (2007), J. Aerosol Sci., 38(9), 988-994.
4304	!> nj3 = 3: Anttila et al. (2010), J. Aerosol Sci., 41(7), 621-636.
4305	!
4306	!> c = aerosol of critical radius (1 nm)
4307	!> x = aerosol with radius 3 nm
4308	!> 2 = wet or mean droplet
4309	!
4310	!> Called from subroutine condensation (in module salsa_dynamics_mod.f90)
4311	!
4312	!> Calls one of the following subroutines:
4313	!> - binnucl
4314	!> - ternucl
4315	!> - kinnucl
4316	!> - actnucl
4317	!
4318	!> fxm: currently only sulphuric acid grows particles from 1 to 3 nm
4319	!> (if asked from Markku, this is terribly wrong!!!)
4320	!
4321	!> Coded by:
4322	!> Hannele Korhonen (FMI) 2005
4323	!> Harri Kokkola (FMI) 2006
4324	!> Matti Niskanen(FMI) 2012
4325	!> Anton Laakso (FMI) 2013
4326	!------------------------------------------------------------------------------!
4327
4328	SUBROUTINE nucleation( paero, ptemp, prh, ppres, pc_sa, pc_ocnv, pc_nh3, ptstep, pj3n3, pxsa, &
4329	pxocnv )
4330
4331	IMPLICIT NONE
4332
4333	INTEGER(iwp) :: iteration
4334
4335	REAL(wp) :: zc_h2so4 !< H2SO4 conc. (#/cm3) !UNITS!
4336	REAL(wp) :: zc_org !< organic vapour conc. (#/cm3)
4337	REAL(wp) :: zcc_c !< Cunningham correct factor for c = critical (1nm)
4338	REAL(wp) :: zcc_x !< Cunningham correct factor for x = 3nm
4339	REAL(wp) :: zcoags_c !< coagulation sink (1/s) for c = critical (1nm)
4340	REAL(wp) :: zcoags_x !< coagulation sink (1/s) for x = 3nm
4341	REAL(wp) :: zcoagstot !< total particle losses due to coagulation, including condensation
4342	!< and self-coagulation
4343	REAL(wp) :: zcocnv_local !< organic vapour conc. (#/m3)
4344	REAL(wp) :: zcsink !< condensational sink (#/m2)
4345	REAL(wp) :: zcsa_local !< H2SO4 conc. (#/m3)
4346	REAL(wp) :: zcv_c !< mean relative thermal velocity (m/s) for c = critical (1nm)
4347	REAL(wp) :: zcv_x !< mean relative thermal velocity (m/s) for x = 3nm
4348	REAL(wp) :: zdcrit !< diameter of critical cluster (m)
4349	REAL(wp) :: zdelta_vap !< change of H2SO4 and organic vapour concentration (#/m3)
4350	REAL(wp) :: zdfvap !< air diffusion coefficient (m2/s)
4351	REAL(wp) :: zdmean !< mean diameter of existing particles (m)
4352	REAL(wp) :: zeta !< constant: proportional to ratio of CS/GR (m)
4353	!< (condensation sink / growth rate)
4354	REAL(wp) :: zgamma !< proportionality factor ((nm2*m2)/h)
4355	REAL(wp) :: z_gr_clust !< growth rate of formed clusters (nm/h)
4356	REAL(wp) :: z_gr_tot !< total growth rate
4357	REAL(wp) :: zj3 !< number conc. of formed 3nm particles (#/m3)
4358	REAL(wp) :: zjnuc !< nucleation rate at ~1nm (#/m3s)
4359	REAL(wp) :: z_k_eff !< effective cogulation coefficient for freshly nucleated particles
4360	REAL(wp) :: zknud_c !< Knudsen number for c = critical (1nm)
4361	REAL(wp) :: zknud_x !< Knudsen number for x = 3nm
4362	REAL(wp) :: zkocnv !< lever: zkocnv=1 --> organic compounds involved in nucleation
4363	REAL(wp) :: zksa !< lever: zksa=1 --> H2SO4 involved in nucleation
4364	REAL(wp) :: zlambda !< parameter for adjusting the growth rate due to self-coagulation
4365	REAL(wp) :: zm_c !< particle mass (kg) for c = critical (1nm)
4366	REAL(wp) :: zm_para !< Parameter m for calculating the coagulation sink (Eq. 5&6 in
4367	!< Lehtinen et al. 2007)
4368	REAL(wp) :: zm_x !< particle mass (kg) for x = 3nm
4369	REAL(wp) :: zmfp !< mean free path of condesing vapour(m)
4370	REAL(wp) :: zmixnh3 !< ammonia mixing ratio (ppt)
4371	REAL(wp) :: zmyy !< gas dynamic viscosity (N*s/m2)
4372	REAL(wp) :: z_n_nuc !< number of clusters/particles at the size range d1-dx (#/m3)
4373	REAL(wp) :: znoc !< number of organic molecules in critical cluster
4374	REAL(wp) :: znsa !< number of H2SO4 molecules in critical cluster
4375
4376	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia concentration (#/m3)
4377	REAL(wp), INTENT(in) :: pc_ocnv !< conc. of non-volatile OC (#/m3)
4378	REAL(wp), INTENT(in) :: pc_sa !< sulphuric acid conc. (#/m3)
4379	REAL(wp), INTENT(in) :: ppres !< ambient air pressure (Pa)
4380	REAL(wp), INTENT(in) :: prh !< ambient rel. humidity [0-1]
4381	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4382	REAL(wp), INTENT(in) :: ptstep !< time step (s) of SALSA
4383
4384	REAL(wp), INTENT(inout) :: pj3n3(2) !< formation mass rate of molecules (molec/m3s) for
4385	!< 1: H2SO4 and 2: organic vapour
4386
4387	REAL(wp), INTENT(out) :: pxocnv !< ratio of non-volatile organic vapours in 3 nm particles
4388	REAL(wp), INTENT(out) :: pxsa !< ratio of H2SO4 in 3 nm aerosol particles
4389
4390	REAL(wp), DIMENSION(nbins_aerosol) :: zbeta !< transitional correction factor
4391	REAL(wp), DIMENSION(nbins_aerosol) :: zcc_2 !< Cunningham correct factor:2
4392	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_2 !< mean relative thermal velocity (m/s): 2
4393	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_c2 !< average velocity after coagulation: c & 2
4394	REAL(wp), DIMENSION(nbins_aerosol) :: zcv_x2 !< average velocity after coagulation: x & 2
4395	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_2 !< particle diffusion coefficient (m2/s): 2
4396	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c !< particle diffusion coefficient (m2/s): c
4397	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_c2 !< sum of diffusion coef. for c and 2
4398	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x !< particle diffusion coefficient (m2/s): x
4399	REAL(wp), DIMENSION(nbins_aerosol) :: zdc_x2 !< sum of diffusion coef. for: x & 2
4400	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_2 !< zgamma_f for calculating zomega
4401	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_c !< zgamma_f for calculating zomega
4402	REAL(wp), DIMENSION(nbins_aerosol) :: zgamma_f_x !< zgamma_f for calculating zomega
4403	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_c2 !< coagulation coef. in the continuum
4404	!< regime: c & 2
4405	REAL(wp), DIMENSION(nbins_aerosol) :: z_k_x2 !< coagulation coef. in the continuum
4406	!< regime: x & 2
4407	REAL(wp), DIMENSION(nbins_aerosol) :: zknud !< particle Knudsen number
4408	REAL(wp), DIMENSION(nbins_aerosol) :: zknud_2 !< particle Knudsen number: 2
4409	REAL(wp), DIMENSION(nbins_aerosol) :: zm_2 !< particle mass (kg): 2
4410	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2c !< zomega (m) for calculating zsigma: c & 2
4411	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_2x !< zomega (m) for calculating zsigma: x & 2
4412	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_c !< zomega (m) for calculating zsigma: c
4413	REAL(wp), DIMENSION(nbins_aerosol) :: zomega_x !< zomega (m) for calculating zsigma: x
4414	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_c2 !< sum of the radii: c & 2
4415	REAL(wp), DIMENSION(nbins_aerosol) :: z_r_x2 !< sum of the radii: x & 2
4416	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_c2 !<
4417	REAL(wp), DIMENSION(nbins_aerosol) :: zsigma_x2 !<
4418
4419	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
4420	!
4421	!-- 1) Nucleation rate (zjnuc) and diameter of critical cluster (zdcrit)
4422	zjnuc = 0.0_wp
4423	znsa = 0.0_wp
4424	znoc = 0.0_wp
4425	zdcrit = 0.0_wp
4426	zksa = 0.0_wp
4427	zkocnv = 0.0_wp
4428
4429	SELECT CASE ( nsnucl )
4430	!
4431	!-- Binary H2SO4-H2O nucleation
4432	CASE(1)
4433
4434	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4435	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4436	!
4437	!-- Activation type nucleation
4438	CASE(2)
4439
4440	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4441	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4442	CALL actnucl( pc_sa, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv, act_coeff )
4443	!
4444	!-- Kinetically limited nucleation of (NH4)HSO4 clusters
4445	CASE(3)
4446
4447	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4448	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4449	CALL kinnucl( zc_h2so4, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv )
4450	!
4451	!-- Ternary H2SO4-H2O-NH3 nucleation
4452	CASE(4)
4453
4454	zmixnh3 = pc_nh3 * ptemp * argas / ( ppres * avo )
4455	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4456	CALL ternucl( zc_h2so4, zmixnh3, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4457	!
4458	!-- Organic nucleation, J~[ORG] or J~[ORG]**2
4459	CASE(5)
4460
4461	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
4462	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4463	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4464	CALL orgnucl( pc_ocnv, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv )
4465	!
4466	!-- Sum of H2SO4 and organic activation type nucleation, J~[H2SO4]+[ORG]
4467	CASE(6)
4468
4469	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4470	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4471	CALL sumnucl( pc_sa, pc_ocnv, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv )
4472	!
4473	!-- Heteromolecular nucleation, J~[H2SO4]*[ORG]
4474	CASE(7)
4475
4476	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4477	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
4478	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4479	CALL hetnucl( zc_h2so4, zc_org, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv )
4480	!
4481	!-- Homomolecular nucleation of H2SO4 and heteromolecular nucleation of H2SO4 and organic vapour,
4482	!-- J~[H2SO4]*2 + [H2SO4][ORG] (EUCAARI project)
4483	CASE(8)
4484	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4485	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
4486	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4487	CALL SAnucl( zc_h2so4, zc_org, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv )
4488	!
4489	!-- Homomolecular nucleation of H2SO4 and organic vapour and heteromolecular nucleation of H2SO4
4490	!-- and organic vapour, J~[H2SO4]*2 + [H2SO4][ORG]+[ORG]**2 (EUCAARI project)
4491	CASE(9)
4492
4493	zc_h2so4 = pc_sa * 1.0E-6_wp ! sulphuric acid conc. to #/cm3
4494	zc_org = pc_ocnv * 1.0E-6_wp ! conc. of non-volatile OC to #/cm3
4495	CALL binnucl( zc_h2so4, ptemp, prh, zjnuc, znsa, znoc, zdcrit, zksa, zkocnv )
4496	CALL SAORGnucl( zc_h2so4, zc_org, zjnuc, zdcrit, znsa, znoc, zksa, zkocnv )
4497
4498	END SELECT
4499
4500	zcsa_local = pc_sa
4501	zcocnv_local = pc_ocnv
4502	!
4503	!-- 2) Change of particle and gas concentrations due to nucleation
4504	!
4505	!-- 2.1) Check that there is enough H2SO4 and organic vapour to produce the nucleation
4506	IF ( nsnucl <= 4 ) THEN
4507	!
4508	!-- If the chosen nucleation scheme is 1-4, nucleation occurs only due to H2SO4. All of the total
4509	!-- vapour concentration that is taking part to the nucleation is there for sulphuric acid
4510	!-- (sa = H2SO4) and non-volatile organic vapour is zero.
4511	pxsa = 1.0_wp ! ratio of sulphuric acid in 3nm particles
4512	pxocnv = 0.0_wp ! ratio of non-volatile origanic vapour
4513	! in 3nm particles
4514	ELSEIF ( nsnucl > 4 ) THEN
4515	!
4516	!-- If the chosen nucleation scheme is 5-9, nucleation occurs due to organic vapour or the
4517	!-- combination of organic vapour and H2SO4. The number of needed molecules depends on the chosen
4518	!-- nucleation type and it has an effect also on the minimum ratio of the molecules present.
4519	IF ( pc_sa * znsa + pc_ocnv * znoc < 1.E-14_wp ) THEN
4520	pxsa = 0.0_wp
4521	pxocnv = 0.0_wp
4522	ELSE
4523	pxsa = pc_sa * znsa / ( pc_sa * znsa + pc_ocnv * znoc )
4524	pxocnv = pc_ocnv * znoc / ( pc_sa * znsa + pc_ocnv * znoc )
4525	ENDIF
4526	ENDIF
4527	!
4528	!-- The change in total vapour concentration is the sum of the concentrations of the vapours taking
4529	!-- part to the nucleation (depends on the chosen nucleation scheme)
4530	zdelta_vap = MIN( zjnuc * ( znoc + znsa ), ( pc_ocnv * zkocnv + pc_sa * zksa ) / ptstep )
4531	!
4532	!-- Nucleation rate J at ~1nm (#/m3s)
4533	zjnuc = zdelta_vap / ( znoc + znsa )
4534	!
4535	!-- H2SO4 concentration after nucleation (#/m3)
4536	zcsa_local = MAX( 1.0_wp, pc_sa - zdelta_vap * pxsa )
4537	!
4538	!-- Non-volative organic vapour concentration after nucleation (#/m3)
4539	zcocnv_local = MAX( 1.0_wp, pc_ocnv - zdelta_vap * pxocnv )
4540	!
4541	!-- 2.2) Formation rate of 3 nm particles (Kerminen & Kulmala, 2002)
4542	!
4543	!-- Growth rate by H2SO4 and organic vapour (nm/h, Eq. 21)
4544	z_gr_clust = 2.3623E-15_wp * SQRT( ptemp ) * ( zcsa_local + zcocnv_local )
4545	!
4546	!-- 2.2.2) Condensational sink of pre-existing particle population
4547	!
4548	!-- Diffusion coefficient (m2/s)
4549	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
4550	!
4551	!-- Mean free path of condensing vapour (m) (Jacobson (2005), Eq. 15.25 and 16.29)
4552	zmfp = 3.0_wp * zdfvap * SQRT( pi * amh2so4 / ( 8.0_wp * argas * ptemp ) )
4553	!
4554	!-- Knudsen number
4555	zknud = 2.0_wp * zmfp / ( paero(:)%dwet + d_sa )
4556	!
4557	!-- Transitional regime correction factor (zbeta) according to Fuchs and Sutugin (1971) (Eq. 4 in
4558	!-- Kerminen and Kulmala, 2002)
4559	zbeta = ( zknud + 1.0_wp) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / ( 3.0_wp * massacc ) * &
4560	( zknud + zknud**2 ) )
4561	!
4562	!-- Condensational sink (#/m2, Eq. 3)
4563	zcsink = SUM( paero(:)%dwet * zbeta * paero(:)%numc )
4564	!
4565	!-- 2.2.3) Parameterised formation rate of detectable 3 nm particles (i.e. J3)
4566	IF ( nj3 == 1 ) THEN ! Kerminen and Kulmala (2002)
4567	!
4568	!-- Constants needed for the parameterisation: dapp = 3 nm and dens_nuc = 1830 kg/m3
4569	IF ( zcsink < 1.0E-30_wp ) THEN
4570	zeta = 0._dp
4571	ELSE
4572	!
4573	!-- Mean diameter of backgroud population (nm)
4574	zdmean = 1.0_wp / SUM( paero(:)%numc ) * SUM( paero(:)%numc * paero(:)%dwet ) * 1.0E+9_wp
4575	!
4576	!-- Proportionality factor (nm2*m2/h) (Eq. 22)
4577	zgamma = 0.23_wp * ( zdcrit * 1.0E+9_wp )*0.2_wp ( zdmean / 150.0_wp )*0.048_wp &
4578	( ptemp / 293.0_wp )*( -0.75_wp ) ( arhoh2so4 / 1000.0_wp )**( -0.33_wp )
4579	!
4580	!-- Factor eta (nm, Eq. 11)
4581	zeta = MIN( zgamma * zcsink / z_gr_clust, zdcrit * 1.0E11_wp )
4582	ENDIF
4583	!
4584	!-- Number conc. of clusters surviving to 3 nm in a time step (#/m3, Eq.14)
4585	zj3 = zjnuc * EXP( MIN( 0.0_wp, zeta / 3.0_wp - zeta / ( zdcrit * 1.0E9_wp ) ) )
4586
4587	ELSEIF ( nj3 > 1 ) THEN ! Lehtinen et al. (2007) or Anttila et al. (2010)
4588	!
4589	!-- Defining the parameter m (zm_para) for calculating the coagulation sink onto background
4590	!-- particles (Eq. 5&6 in Lehtinen et al. 2007). The growth is investigated between
4591	!-- [d1,reglim(1)] = [zdcrit,3nm] and m = LOG( CoagS_dx / CoagX_zdcrit ) / LOG( reglim / zdcrit )
4592	!-- (Lehtinen et al. 2007, Eq. 6).
4593	!-- The steps for the coagulation sink for reglim = 3nm and zdcrit ~= 1nm are explained in
4594	!-- Kulmala et al. (2001). The particles of diameter zdcrit ~1.14 nm and reglim = 3nm are both
4595	!-- in turn the "number 1" variables (Kulmala et al. 2001).
4596	!-- c = critical (1nm), x = 3nm, 2 = wet or mean droplet
4597	!
4598	!-- Sum of the radii, R12 = R1 + R2 (m) of two particles 1 and 2
4599	z_r_c2 = zdcrit / 2.0_wp + paero(:)%dwet / 2.0_wp
4600	z_r_x2 = reglim(1) / 2.0_wp + paero(:)%dwet / 2.0_wp
4601	!
4602	!-- Particle mass (kg) (comes only from H2SO4)
4603	zm_c = 4.0_wp / 3.0_wp * pi * ( zdcrit / 2.0_wp )*3 arhoh2so4
4604	zm_x = 4.0_wp / 3.0_wp * pi * ( reglim(1) / 2.0_wp )*3 arhoh2so4
4605	zm_2 = 4.0_wp / 3.0_wp * pi * ( 0.5_wp * paero(:)%dwet )*3 arhoh2so4
4606	!
4607	!-- Mean relative thermal velocity between the particles (m/s)
4608	zcv_c = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_c ) )
4609	zcv_x = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_x ) )
4610	zcv_2 = SQRT( 8.0_wp * abo * ptemp / ( pi * zm_2 ) )
4611	!
4612	!-- Average velocity after coagulation
4613	zcv_c2(:) = SQRT( zcv_c2 + zcv_22 )
4614	zcv_x2(:) = SQRT( zcv_x2 + zcv_22 )
4615	!
4616	!-- Knudsen number (zmfp = mean free path of condensing vapour)
4617	zknud_c = 2.0_wp * zmfp / zdcrit
4618	zknud_x = 2.0_wp * zmfp / reglim(1)
4619	zknud_2(:) = MAX( 0.0_wp, 2.0_wp * zmfp / paero(:)%dwet )
4620	!
4621	!-- Cunningham correction factors (Allen and Raabe, 1985)
4622	zcc_c = 1.0_wp + zknud_c * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_c ) )
4623	zcc_x = 1.0_wp + zknud_x * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_x ) )
4624	zcc_2(:) = 1.0_wp + zknud_2(:) * ( 1.142_wp + 0.558_wp * EXP( -0.999_wp / zknud_2(:) ) )
4625	!
4626	!-- Gas dynamic viscosity (Ns/m2). Here, viscocity(air @20C) = 1.81e-5_dp N/m2 s (Hinds, p. 25)
4627	zmyy = 1.81E-5_wp * ( ptemp / 293.0_wp )**0.74_wp
4628	!
4629	!-- Particle diffusion coefficient (m2/s) (continuum regime)
4630	zdc_c(:) = abo * ptemp * zcc_c / ( 3.0_wp * pi * zmyy * zdcrit )
4631	zdc_x(:) = abo * ptemp * zcc_x / ( 3.0_wp * pi * zmyy * reglim(1) )
4632	zdc_2(:) = abo * ptemp * zcc_2(:) / ( 3.0_wp * pi * zmyy * paero(:)%dwet )
4633	!
4634	!-- D12 = D1+D2 (Seinfield and Pandis, 2nd ed. Eq. 13.38)
4635	zdc_c2 = zdc_c + zdc_2
4636	zdc_x2 = zdc_x + zdc_2
4637	!
4638	!-- zgamma_f = 8*D/pi/zcv (m) for calculating zomega (Fuchs, 1964)
4639	zgamma_f_c = 8.0_wp * zdc_c / pi / zcv_c
4640	zgamma_f_x = 8.0_wp * zdc_x / pi / zcv_x
4641	zgamma_f_2 = 8.0_wp * zdc_2 / pi / zcv_2
4642	!
4643	!-- zomega (m) for calculating zsigma
4644	zomega_c = ( ( z_r_c2 + zgamma_f_c )3 - ( z_r_c2 2 + zgamma_f_c )**1.5_wp ) / &
4645	( 3.0_wp * z_r_c2 * zgamma_f_c ) - z_r_c2
4646	zomega_x = ( ( z_r_x2 + zgamma_f_x )3 - ( z_r_x22 + zgamma_f_x )** 1.5_wp ) / &
4647	( 3.0_wp * z_r_x2 * zgamma_f_x ) - z_r_x2
4648	zomega_2c = ( ( z_r_c2 + zgamma_f_2 )3 - ( z_r_c22 + zgamma_f_2 )**1.5_wp ) / &
4649	( 3.0_wp * z_r_c2 * zgamma_f_2 ) - z_r_c2
4650	zomega_2x = ( ( z_r_x2 + zgamma_f_2 )3 - ( z_r_x22 + zgamma_f_2 )**1.5_wp ) / &
4651	( 3.0_wp * z_r_x2 * zgamma_f_2 ) - z_r_x2
4652	!
4653	!-- The distance (m) at which the two fluxes are matched (condensation and coagulation sinks)
4654	zsigma_c2 = SQRT( zomega_c2 + zomega_2c2 )
4655	zsigma_x2 = SQRT( zomega_x2 + zomega_2x2 )
4656	!
4657	!-- Coagulation coefficient in the continuum regime (m*m2/s, Eq. 17 in Kulmala et al., 2001)
4658	z_k_c2 = 4.0_wp * pi * z_r_c2 * zdc_c2 / ( z_r_c2 / ( z_r_c2 + zsigma_c2 ) + &
4659	4.0_wp * zdc_c2 / ( zcv_c2 * z_r_c2 ) )
4660	z_k_x2 = 4.0_wp * pi * z_r_x2 * zdc_x2 / ( z_r_x2 / ( z_r_x2 + zsigma_x2 ) + &
4661	4.0_wp * zdc_x2 / ( zcv_x2 * z_r_x2 ) )
4662	!
4663	!-- Coagulation sink (1/s, Eq. 16 in Kulmala et al., 2001)
4664	zcoags_c = MAX( 1.0E-20_wp, SUM( z_k_c2 * paero(:)%numc ) )
4665	zcoags_x = MAX( 1.0E-20_wp, SUM( z_k_x2 * paero(:)%numc ) )
4666	!
4667	!-- Parameter m for calculating the coagulation sink onto background particles (Eq. 5&6 in
4668	!-- Lehtinen et al. 2007)
4669	zm_para = LOG( zcoags_x / zcoags_c ) / LOG( reglim(1) / zdcrit )
4670	!
4671	!-- Parameter gamma for calculating the formation rate J of particles having
4672	!-- a diameter zdcrit < d < reglim(1) (Anttila et al. 2010, eq. 5 or Lehtinen et al.,2007, eq. 7)
4673	zgamma = ( ( ( reglim(1) / zdcrit )**( zm_para + 1.0_wp ) ) - 1.0_wp ) / ( zm_para + 1.0_wp )
4674
4675	IF ( nj3 == 2 ) THEN ! Lehtinen et al. (2007): coagulation sink
4676	!
4677	!-- Formation rate J before iteration (#/m3s)
4678	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoags_c / ( z_gr_clust * 1.0E-9_wp / &
4679	60.0_wp**2 ) ) )
4680
4681	ELSEIF ( nj3 == 3 ) THEN ! Anttila et al. (2010): coagulation sink and self-coag.
4682	!
4683	!-- If air is polluted, the self-coagulation becomes important. Self-coagulation of small
4684	!-- particles < 3 nm.
4685	!
4686	!-- "Effective" coagulation coefficient between freshly-nucleated particles:
4687	z_k_eff = 5.0E-16_wp ! m3/s
4688	!
4689	!-- zlambda parameter for "adjusting" the growth rate due to the self-coagulation
4690	zlambda = 6.0_wp
4691
4692	IF ( reglim(1) >= 10.0E-9_wp ) THEN ! for particles >10 nm:
4693	z_k_eff = 5.0E-17_wp
4694	zlambda = 3.0_wp
4695	ENDIF
4696	!
4697	!-- Initial values for coagulation sink and growth rate (m/s)
4698	zcoagstot = zcoags_c
4699	z_gr_tot = z_gr_clust * 1.0E-9_wp / 60.0_wp**2
4700	!
4701	!-- Number of clusters/particles at the size range [d1,dx] (#/m3):
4702	z_n_nuc = zjnuc / zcoagstot !< Initial guess
4703	!
4704	!-- Coagulation sink and growth rate due to self-coagulation:
4705	DO iteration = 1, 5
4706	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s, Anttila et al., eq. 1)
4707	z_gr_tot = z_gr_clust * 2.77777777E-7_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
4708	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 2.77777777E-7_wp ! (Eq. 3)
4709	zeta = - zcoagstot / ( ( zm_para + 1.0_wp ) * z_gr_tot * ( zdcrit**zm_para ) ) ! (Eq. 7b)
4710	!
4711	!-- Calculate Eq. 7a (Taylor series for the number of particles between [d1,dx])
4712	z_n_nuc = z_n_nuc_tayl( zdcrit, reglim(1), zm_para, zjnuc, zeta, z_gr_tot )
4713	ENDDO
4714	!
4715	!-- Calculate the final values with new z_n_nuc:
4716	zcoagstot = zcoags_c + z_k_eff * z_n_nuc * 1.0E-6_wp ! (1/s)
4717	z_gr_tot = z_gr_clust * 1.0E-9_wp / 3600.0_wp + 1.5708E-6_wp * zlambda * zdcrit*3 &
4718	( z_n_nuc * 1.0E-6_wp ) * zcv_c * avo * 1.0E-9_wp / 3600.0_wp !< (m/s)
4719	zj3 = zjnuc * EXP( MIN( 0.0_wp, -zgamma * zdcrit * zcoagstot / z_gr_tot ) ) ! (#/m3s, Eq. 5a)
4720
4721	ENDIF
4722	ENDIF
4723	!
4724	!-- If J3 very small (< 1 #/cm3), neglect particle formation. In real atmosphere this would mean
4725	!-- that clusters form but coagulate to pre-existing particles who gain sulphate. Since
4726	!-- CoagS ~ CS (4piDCS'), we do not* update H2SO4 concentration here but let condensation take
4727	!-- care of it. Formation mass rate of molecules (molec/m3s) for 1: H2SO4 and 2: organic vapour
4728	pj3n3(1) = zj3 * n3 * pxsa
4729	pj3n3(2) = zj3 * n3 * pxocnv
4730
4731	END SUBROUTINE nucleation
4732
4733	!------------------------------------------------------------------------------!
4734	! Description:
4735	! ------------
4736	!> Calculate the nucleation rate and the size of critical clusters assuming
4737	!> binary nucleation.
4738	!> Parametrisation according to Vehkamaki et al. (2002), J. Geophys. Res.,
4739	!> 107(D22), 4622. Called from subroutine nucleation.
4740	!------------------------------------------------------------------------------!
4741	SUBROUTINE binnucl( pc_sa, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, pk_sa, &
4742	pk_ocnv )
4743
4744	IMPLICIT NONE
4745
4746	REAL(wp) :: za !<
4747	REAL(wp) :: zb !<
4748	REAL(wp) :: zc !<
4749	REAL(wp) :: zcoll !<
4750	REAL(wp) :: zlogsa !< LOG( zpcsa )
4751	REAL(wp) :: zlogrh !< LOG( zrh )
4752	REAL(wp) :: zm1 !<
4753	REAL(wp) :: zm2 !<
4754	REAL(wp) :: zma !<
4755	REAL(wp) :: zmw !<
4756	REAL(wp) :: zntot !< number of molecules in critical cluster
4757	REAL(wp) :: zpcsa !< sulfuric acid concentration
4758	REAL(wp) :: zrh !< relative humidity
4759	REAL(wp) :: zroo !<
4760	REAL(wp) :: zt !< temperature
4761	REAL(wp) :: zv1 !<
4762	REAL(wp) :: zv2 !<
4763	REAL(wp) :: zx !< mole fraction of sulphate in critical cluster
4764	REAL(wp) :: zxmass !<
4765
4766	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
4767	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1
4768	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4769
4770	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
4771	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
4772	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
4773	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
4774	REAL(wp), INTENT(out) :: pk_sa !< Lever: if pk_sa = 1, H2SO4 is involved in nucleation.
4775	REAL(wp), INTENT(out) :: pk_ocnv !< Lever: if pk_ocnv = 1, organic compounds are involved
4776
4777	pnuc_rate = 0.0_wp
4778	pd_crit = 1.0E-9_wp
4779	!
4780	!-- 1) Checking that we are in the validity range of the parameterization
4781	zpcsa = MAX( pc_sa, 1.0E4_wp )
4782	zpcsa = MIN( zpcsa, 1.0E11_wp )
4783	zrh = MAX( prh, 0.0001_wp )
4784	zrh = MIN( zrh, 1.0_wp )
4785	zt = MAX( ptemp, 190.15_wp )
4786	zt = MIN( zt, 300.15_wp )
4787
4788	zlogsa = LOG( zpcsa )
4789	zlogrh = LOG( prh )
4790	!
4791	!-- 2) Mole fraction of sulphate in a critical cluster (Eq. 11)
4792	zx = 0.7409967177282139_wp - 0.002663785665140117_wp * zt + &
4793	0.002010478847383187_wp * zlogrh - 0.0001832894131464668_wp* zt * zlogrh + &
4794	0.001574072538464286_wp * zlogrh*2 - 0.00001790589121766952_wp zt * zlogrh**2 + &
4795	0.0001844027436573778_wp * zlogrh*3 - 1.503452308794887E-6_wp zt * zlogrh**3 - &
4796	0.003499978417957668_wp * zlogsa + 0.0000504021689382576_wp * zt * zlogsa
4797	!
4798	!-- 3) Nucleation rate (Eq. 12)
4799	pnuc_rate = 0.1430901615568665_wp + 2.219563673425199_wp * zt - &
4800	0.02739106114964264_wp * zt*2 + 0.00007228107239317088_wp zt**3 + &
4801	5.91822263375044_wp / zx + 0.1174886643003278_wp * zlogrh + &
4802	0.4625315047693772_wp * zt * zlogrh - 0.01180591129059253_wp * zt*2 zlogrh + &
4803	0.0000404196487152575_wp * zt*3 zlogrh + &
4804	( 15.79628615047088_wp * zlogrh ) / zx - 0.215553951893509_wp * zlogrh**2 - &
4805	0.0810269192332194_wp * zt * zlogrh**2 + &
4806	0.001435808434184642_wp * zt*2 zlogrh**2 - &
4807	4.775796947178588E-6_wp * zt*3 zlogrh**2 - &
4808	( 2.912974063702185_wp * zlogrh*2 ) / zx - 3.588557942822751_wp zlogrh**3 + &
4809	0.04950795302831703_wp * zt * zlogrh**3 - &
4810	0.0002138195118737068_wp * zt*2 zlogrh**3 + &
4811	3.108005107949533E-7_wp * zt*3 zlogrh**3 - &
4812	( 0.02933332747098296_wp * zlogrh*3 ) / zx + 1.145983818561277_wp zlogsa - &
4813	0.6007956227856778_wp * zt * zlogsa + 0.00864244733283759_wp * zt*2 zlogsa - &
4814	0.00002289467254710888_wp * zt*3 zlogsa - &
4815	( 8.44984513869014_wp * zlogsa ) / zx + 2.158548369286559_wp * zlogrh * zlogsa + &
4816	0.0808121412840917_wp * zt * zlogrh * zlogsa - &
4817	0.0004073815255395214_wp * zt*2 zlogrh * zlogsa - &
4818	4.019572560156515E-7_wp * zt*3 zlogrh * zlogsa + &
4819	( 0.7213255852557236_wp * zlogrh * zlogsa ) / zx + &
4820	1.62409850488771_wp * zlogrh*2 zlogsa - &
4821	0.01601062035325362_wp * zt * zlogrh*2 zlogsa + &
4822	0.00003771238979714162_wpzt2 zlogrh*2 zlogsa + &
4823	3.217942606371182E-8_wp * zt*3 zlogrh*2 zlogsa - &
4824	( 0.01132550810022116_wp * zlogrh*2 zlogsa ) / zx + &
4825	9.71681713056504_wp * zlogsa*2 - 0.1150478558347306_wp zt * zlogsa**2 + &
4826	0.0001570982486038294_wp * zt*2 zlogsa**2 + &
4827	4.009144680125015E-7_wp * zt*3 zlogsa**2 + &
4828	( 0.7118597859976135_wp * zlogsa**2 ) / zx - &
4829	1.056105824379897_wp * zlogrh * zlogsa**2 + &
4830	0.00903377584628419_wp * zt * zlogrh * zlogsa**2 - &
4831	0.00001984167387090606_wp * zt*2 zlogrh * zlogsa**2 + &
4832	2.460478196482179E-8_wp * zt*3 zlogrh * zlogsa**2 - &
4833	( 0.05790872906645181_wp * zlogrh * zlogsa**2 ) / zx - &
4834	0.1487119673397459_wp * zlogsa*3 + 0.002835082097822667_wp zt * zlogsa**3 - &
4835	9.24618825471694E-6_wp * zt*2 zlogsa**3 + &
4836	5.004267665960894E-9_wp * zt*3 zlogsa**3 - &
4837	( 0.01270805101481648_wp * zlogsa**3 ) / zx
4838	!
4839	!-- Nucleation rate in #/(cm3 s)
4840	pnuc_rate = EXP( pnuc_rate )
4841	!
4842	!-- Check the validity of parameterization
4843	IF ( pnuc_rate < 1.0E-7_wp ) THEN
4844	pnuc_rate = 0.0_wp
4845	pd_crit = 1.0E-9_wp
4846	ENDIF
4847	!
4848	!-- 4) Total number of molecules in the critical cluster (Eq. 13)
4849	zntot = - 0.002954125078716302_wp - 0.0976834264241286_wp * zt + &
4850	0.001024847927067835_wp * zt*2 - 2.186459697726116E-6_wp zt**3 - &
4851	0.1017165718716887_wp / zx - 0.002050640345231486_wp * zlogrh - &
4852	0.007585041382707174_wp * zt * zlogrh + 0.0001926539658089536_wp * zt*2 zlogrh - &
4853	6.70429719683894E-7_wp * zt*3 zlogrh - ( 0.2557744774673163_wp * zlogrh ) / zx + &
4854	0.003223076552477191_wp * zlogrh*2 + 0.000852636632240633_wp zt * zlogrh**2 - &
4855	0.00001547571354871789_wp * zt*2 zlogrh**2 + &
4856	5.666608424980593E-8_wp * zt*3 zlogrh**2 + &
4857	( 0.03384437400744206_wp * zlogrh**2 ) / zx + &
4858	0.04743226764572505_wp * zlogrh*3 - 0.0006251042204583412_wp zt * zlogrh**3 + &
4859	2.650663328519478E-6_wp * zt*2 zlogrh**3 - &
4860	3.674710848763778E-9_wp * zt*3 zlogrh**3 - &
4861	( 0.0002672510825259393_wp * zlogrh*3 ) / zx - 0.01252108546759328_wp zlogsa + &
4862	0.005806550506277202_wp * zt * zlogsa - 0.0001016735312443444_wp * zt*2 zlogsa + &
4863	2.881946187214505E-7_wp * zt*3 zlogsa + ( 0.0942243379396279_wp * zlogsa ) / zx - &
4864	0.0385459592773097_wp * zlogrh * zlogsa - &
4865	0.0006723156277391984_wp * zt * zlogrh * zlogsa + &
4866	2.602884877659698E-6_wp * zt*2 zlogrh * zlogsa + &
4867	1.194163699688297E-8_wp * zt*3 zlogrh * zlogsa - &
4868	( 0.00851515345806281_wp * zlogrh * zlogsa ) / zx - &
4869	0.01837488495738111_wp * zlogrh*2 zlogsa + &
4870	0.0001720723574407498_wp * zt * zlogrh*2 zlogsa - &
4871	3.717657974086814E-7_wp * zt*2 zlogrh*2 zlogsa - &
4872	5.148746022615196E-10_wp * zt*3 zlogrh*2 zlogsa + &
4873	( 0.0002686602132926594_wp * zlogrh*2 zlogsa ) / zx - &
4874	0.06199739728812199_wp * zlogsa*2 + 0.000906958053583576_wp zt * zlogsa**2 - &
4875	9.11727926129757E-7_wp * zt*2 zlogsa**2 - &
4876	5.367963396508457E-9_wp * zt*3 zlogsa**2 - &
4877	( 0.007742343393937707_wp * zlogsa**2 ) / zx + &
4878	0.0121827103101659_wp * zlogrh * zlogsa**2 - &
4879	0.0001066499571188091_wp * zt * zlogrh * zlogsa**2 + &
4880	2.534598655067518E-7_wp * zt*2 zlogrh * zlogsa**2 - &
4881	3.635186504599571E-10_wp * zt*3 zlogrh * zlogsa**2 + &
4882	( 0.0006100650851863252_wp * zlogrh * zlogsa **2 ) / zx + &
4883	0.0003201836700403512_wp * zlogsa*3 - 0.0000174761713262546_wp zt * zlogsa**3 + &
4884	6.065037668052182E-8_wp * zt*2 zlogsa**3 - &
4885	1.421771723004557E-11_wp * zt*3 zlogsa**3 + &
4886	( 0.0001357509859501723_wp * zlogsa**3 ) / zx
4887	zntot = EXP( zntot ) ! in #
4888	!
4889	!-- 5) Size of the critical cluster pd_crit (m) (diameter) (Eq. 14)
4890	pn_crit_sa = zx * zntot
4891	pd_crit = 2.0E-9_wp * EXP( -1.6524245_wp + 0.42316402_wp * zx + 0.33466487_wp * LOG( zntot ) )
4892	!
4893	!-- 6) Organic compounds not involved when binary nucleation is assumed
4894	pn_crit_ocnv = 0.0_wp ! number of organic molecules
4895	pk_sa = 1.0_wp ! if = 1, H2SO4 involved in nucleation
4896	pk_ocnv = 0.0_wp ! if = 1, organic compounds involved
4897	!
4898	!-- Set nucleation rate to collision rate
4899	IF ( pn_crit_sa < 4.0_wp ) THEN
4900	!
4901	!-- Volumes of the colliding objects
4902	zma = 96.0_wp ! molar mass of SO4 in g/mol
4903	zmw = 18.0_wp ! molar mass of water in g/mol
4904	zxmass = 1.0_wp ! mass fraction of H2SO4
4905	za = 0.7681724_wp + zxmass * ( 2.1847140_wp + zxmass * &
4906	( 7.1630022_wp + zxmass * &
4907	( -44.31447_wp + zxmass * &
4908	( 88.75606 + zxmass * &
4909	( -75.73729_wp + zxmass * 23.43228_wp ) ) ) ) )
4910	zb = 1.808225E-3_wp + zxmass * ( -9.294656E-3_wp + zxmass * &
4911	( -0.03742148_wp + zxmass * &
4912	( 0.2565321_wp + zxmass * &
4913	( -0.5362872_wp + zxmass * &
4914	( 0.4857736 - zxmass * 0.1629592_wp ) ) ) ) )
4915	zc = - 3.478524E-6_wp + zxmass * ( 1.335867E-5_wp + zxmass * &
4916	( 5.195706E-5_wp + zxmass * &
4917	( -3.717636E-4_wp + zxmass * &
4918	( 7.990811E-4_wp + zxmass * &
4919	( -7.458060E-4_wp + zxmass * 2.58139E-4_wp ) ) ) ) )
4920	!
4921	!-- Density for the sulphuric acid solution (Eq. 10 in Vehkamaki)
4922	zroo = ( za + zt * ( zb + zc * zt ) ) * 1.0E+3_wp ! (kg/m^3
4923	zm1 = 0.098_wp ! molar mass of H2SO4 in kg/mol
4924	zm2 = zm1
4925	zv1 = zm1 / avo / zroo ! volume
4926	zv2 = zv1
4927	!
4928	!-- Collision rate
4929	zcoll = zpcsa * zpcsa * ( 3.0_wp * pi / 4.0_wp )*0.16666666_wp &
4930	SQRT( 6.0_wp * argas * zt / zm1 + 6.0_wp * argas * zt / zm2 ) * &
4931	( zv10.33333333_wp + zv20.33333333_wp )*2 1.0E+6_wp ! m3 -> cm3
4932	zcoll = MIN( zcoll, 1.0E+10_wp )
4933	pnuc_rate = zcoll ! (#/(cm3 s))
4934
4935	ELSE
4936	pnuc_rate = MIN( pnuc_rate, 1.0E+10_wp )
4937	ENDIF
4938	pnuc_rate = pnuc_rate * 1.0E+6_wp ! (#/(m3 s))
4939
4940	END SUBROUTINE binnucl
4941
4942	!------------------------------------------------------------------------------!
4943	! Description:
4944	! ------------
4945	!> Calculate the nucleation rate and the size of critical clusters assuming
4946	!> ternary nucleation. Parametrisation according to:
4947	!> Napari et al. (2002), J. Chem. Phys., 116, 4221-4227 and
4948	!> Napari et al. (2002), J. Geophys. Res., 107(D19), AAC 6-1-ACC 6-6.
4949	!------------------------------------------------------------------------------!
4950	SUBROUTINE ternucl( pc_sa, pc_nh3, ptemp, prh, pnuc_rate, pn_crit_sa, pn_crit_ocnv, pd_crit, &
4951	pk_sa, pk_ocnv )
4952
4953	IMPLICIT NONE
4954
4955	REAL(wp) :: zlnj !< logarithm of nucleation rate
4956	REAL(wp) :: zlognh3 !< LOG( pc_nh3 )
4957	REAL(wp) :: zlogrh !< LOG( prh )
4958	REAL(wp) :: zlogsa !< LOG( pc_sa )
4959
4960	REAL(wp), INTENT(in) :: pc_nh3 !< ammonia mixing ratio (ppt)
4961	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/cm3)
4962	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
4963	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
4964
4965	REAL(wp), INTENT(out) :: pd_crit !< diameter of critical cluster (m)
4966	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
4967	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
4968	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
4969	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
4970	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
4971	!
4972	!-- 1) Checking that we are in the validity range of the parameterization.
4973	!-- Validity of parameterization : DO NOT REMOVE!
4974	IF ( ptemp < 240.0_wp .OR. ptemp > 300.0_wp ) THEN
4975	message_string = 'Invalid input value: ptemp'
4976	CALL message( 'salsa_mod: ternucl', 'PA0619', 1, 2, 0, 6, 0 )
4977	ENDIF
4978	IF ( prh < 0.05_wp .OR. prh > 0.95_wp ) THEN
4979	message_string = 'Invalid input value: prh'
4980	CALL message( 'salsa_mod: ternucl', 'PA0620', 1, 2, 0, 6, 0 )
4981	ENDIF
4982	IF ( pc_sa < 1.0E+4_wp .OR. pc_sa > 1.0E+9_wp ) THEN
4983	message_string = 'Invalid input value: pc_sa'
4984	CALL message( 'salsa_mod: ternucl', 'PA0621', 1, 2, 0, 6, 0 )
4985	ENDIF
4986	IF ( pc_nh3 < 0.1_wp .OR. pc_nh3 > 100.0_wp ) THEN
4987	message_string = 'Invalid input value: pc_nh3'
4988	CALL message( 'salsa_mod: ternucl', 'PA0622', 1, 2, 0, 6, 0 )
4989	ENDIF
4990
4991	zlognh3 = LOG( pc_nh3 )
4992	zlogrh = LOG( prh )
4993	zlogsa = LOG( pc_sa )
4994	!
4995	!-- 2) Nucleation rate (Eq. 7 in Napari et al., 2002: Parameterization of
4996	!-- ternary nucleation of sulfuric acid - ammonia - water.
4997	zlnj = - 84.7551114741543_wp + 0.3117595133628944_wp * prh + &
4998	1.640089605712946_wp * prh * ptemp - 0.003438516933381083_wp * prh * ptemp**2 - &
4999	0.00001097530402419113_wp * prh * ptemp**3 - 0.3552967070274677_wp / zlogsa - &
5000	( 0.06651397829765026_wp * prh ) / zlogsa - ( 33.84493989762471_wp * ptemp ) / zlogsa - &
5001	( 7.823815852128623_wp * prh * ptemp ) / zlogsa + &
5002	( 0.3453602302090915_wp * ptemp**2 ) / zlogsa + &
5003	( 0.01229375748100015_wp * prh * ptemp**2 ) / zlogsa - &
5004	( 0.000824007160514956_wp ptemp*3 ) / zlogsa + &
5005	( 0.00006185539100670249_wp * prh * ptemp**3 ) / zlogsa + &
5006	3.137345238574998_wp * zlogsa + 3.680240980277051_wp * prh * zlogsa - &
5007	0.7728606202085936_wp * ptemp * zlogsa - 0.204098217156962_wp * prh * ptemp * zlogsa + &
5008	0.005612037586790018_wp * ptemp*2 zlogsa + &
5009	0.001062588391907444_wp * prh * ptemp*2 zlogsa - &
5010	9.74575691760229E-6_wp * ptemp*3 zlogsa - &
5011	1.265595265137352E-6_wp * prh * ptemp*3 zlogsa + 19.03593713032114_wp * zlogsa**2 - &
5012	0.1709570721236754_wp * ptemp * zlogsa**2 + &
5013	0.000479808018162089_wp * ptemp*2 zlogsa**2 - &
5014	4.146989369117246E-7_wp * ptemp*3 zlogsa*2 + 1.076046750412183_wp zlognh3 + &
5015	0.6587399318567337_wp * prh * zlognh3 + 1.48932164750748_wp * ptemp * zlognh3 + &
5016	0.1905424394695381_wp * prh * ptemp * zlognh3 - &
5017	0.007960522921316015_wp * ptemp*2 zlognh3 - &
5018	0.001657184248661241_wp * prh * ptemp*2 zlognh3 + &
5019	7.612287245047392E-6_wp * ptemp*3 zlognh3 + &
5020	3.417436525881869E-6_wp * prh * ptemp*3 zlognh3 + &
5021	( 0.1655358260404061_wp * zlognh3 ) / zlogsa + &
5022	( 0.05301667612522116_wp * prh * zlognh3 ) / zlogsa + &
5023	( 3.26622914116752_wp * ptemp * zlognh3 ) / zlogsa - &
5024	( 1.988145079742164_wp * prh * ptemp * zlognh3 ) / zlogsa - &
5025	( 0.04897027401984064_wp * ptemp*2 zlognh3 ) / zlogsa + &
5026	( 0.01578269253599732_wp * prh * ptemp*2 zlognh3 ) / zlogsa + &
5027	( 0.0001469672236351303_wp * ptemp*3 zlognh3 ) / zlogsa - &
5028	( 0.00002935642836387197_wp * prh * ptemp*3 zlognh3 ) / zlogsa + &
5029	6.526451177887659_wp * zlogsa * zlognh3 - &
5030	0.2580021816722099_wp * ptemp * zlogsa * zlognh3 + &
5031	0.001434563104474292_wp * ptemp*2 zlogsa * zlognh3 - &
5032	2.020361939304473E-6_wp * ptemp*3 zlogsa * zlognh3 - &
5033	0.160335824596627_wp * zlogsa*2 zlognh3 + &
5034	0.00889880721460806_wp * ptemp * zlogsa*2 zlognh3 - &
5035	0.00005395139051155007_wp * ptemp*2 zlogsa*2 zlognh3 + &
5036	8.39521718689596E-8_wp * ptemp*3 zlogsa*2 zlognh3 + &
5037	6.091597586754857_wp * zlognh3*2 + 8.5786763679309_wp prh * zlognh3**2 - &
5038	1.253783854872055_wp * ptemp * zlognh3**2 - &
5039	0.1123577232346848_wp * prh * ptemp * zlognh3**2 + &
5040	0.00939835595219825_wp * ptemp*2 zlognh3**2 + &
5041	0.0004726256283031513_wp * prh * ptemp*2 zlognh3**2 - &
5042	0.00001749269360523252_wp * ptemp*3 zlognh3**2 - &
5043	6.483647863710339E-7_wp * prh * ptemp*3 zlognh3**2 + &
5044	( 0.7284285726576598_wp * zlognh3**2 ) / zlogsa + &
5045	( 3.647355600846383_wp * ptemp * zlognh3**2 ) / zlogsa - &
5046	( 0.02742195276078021_wp * ptemp*2 zlognh3**2 ) / zlogsa + &
5047	( 0.00004934777934047135_wp * ptemp*3 zlognh3**2 ) / zlogsa + &
5048	41.30162491567873_wp * zlogsa * zlognh3**2 - &
5049	0.357520416800604_wp * ptemp * zlogsa * zlognh3**2 + &
5050	0.000904383005178356_wp * ptemp*2 zlogsa * zlognh3**2 - &
5051	5.737876676408978E-7_wp * ptemp*3 zlogsa * zlognh3**2 - &
5052	2.327363918851818_wp * zlogsa*2 zlognh3**2 + &
5053	0.02346464261919324_wp * ptemp * zlogsa*2 zlognh3**2 - &
5054	0.000076518969516405_wp * ptemp*2 zlogsa*2 zlognh3**2 + &
5055	8.04589834836395E-8_wp * ptemp*3 zlogsa*2 zlognh3**2 - &
5056	0.02007379204248076_wp * zlogrh - 0.7521152446208771_wp * ptemp * zlogrh + &
5057	0.005258130151226247_wp * ptemp*2 zlogrh - &
5058	8.98037634284419E-6_wp * ptemp*3 zlogrh + &
5059	( 0.05993213079516759_wp * zlogrh ) / zlogsa + &
5060	( 5.964746463184173_wp * ptemp * zlogrh ) / zlogsa - &
5061	( 0.03624322255690942_wp * ptemp*2 zlogrh ) / zlogsa + &
5062	( 0.00004933369382462509_wp * ptemp*3 zlogrh ) / zlogsa - &
5063	0.7327310805365114_wp * zlognh3 * zlogrh - &
5064	0.01841792282958795_wp * ptemp * zlognh3 * zlogrh + &
5065	0.0001471855981005184_wp * ptemp*2 zlognh3 * zlogrh - &
5066	2.377113195631848E-7_wp * ptemp*3 zlognh3 * zlogrh
5067	pnuc_rate = EXP( zlnj ) ! (#/(cm3 s))
5068	!
5069	!-- Check validity of parametrization
5070	IF ( pnuc_rate < 1.0E-5_wp ) THEN
5071	pnuc_rate = 0.0_wp
5072	pd_crit = 1.0E-9_wp
5073	ELSEIF ( pnuc_rate > 1.0E6_wp ) THEN
5074	message_string = 'Invalid output value: nucleation rate > 10^6 1/cm3s'
5075	CALL message( 'salsa_mod: ternucl', 'PA0623', 1, 2, 0, 6, 0 )
5076	ENDIF
5077	pnuc_rate = pnuc_rate * 1.0E6_wp ! (#/(m3 s))
5078	!
5079	!-- 3) Number of H2SO4 molecules in a critical cluster (Eq. 9)
5080	pn_crit_sa = 38.16448247950508_wp + 0.7741058259731187_wp * zlnj + &
5081	0.002988789927230632_wp * zlnj*2 - 0.3576046920535017_wp ptemp - &
5082	0.003663583011953248_wp * zlnj * ptemp + 0.000855300153372776_wp * ptemp**2
5083	!
5084	!-- Kinetic limit: at least 2 H2SO4 molecules in a cluster
5085	pn_crit_sa = MAX( pn_crit_sa, 2.0E0_wp )
5086	!
5087	!-- 4) Size of the critical cluster in nm (Eq. 12)
5088	pd_crit = 0.1410271086638381_wp - 0.001226253898894878_wp * zlnj - &
5089	7.822111731550752E-6_wp * zlnj*2 - 0.001567273351921166_wp ptemp - &
5090	0.00003075996088273962_wp * zlnj * ptemp + 0.00001083754117202233_wp * ptemp**2
5091	pd_crit = pd_crit * 2.0E-9_wp ! Diameter in m
5092	!
5093	!-- 5) Organic compounds not involved when ternary nucleation assumed
5094	pn_crit_ocnv = 0.0_wp
5095	pk_sa = 1.0_wp
5096	pk_ocnv = 0.0_wp
5097
5098	END SUBROUTINE ternucl
5099
5100	!------------------------------------------------------------------------------!
5101	! Description:
5102	! ------------
5103	!> Calculate the nucleation rate and the size of critical clusters assuming
5104	!> kinetic nucleation. Each sulphuric acid molecule forms an (NH4)HSO4 molecule
5105	!> in the atmosphere and two colliding (NH4)HSO4 molecules form a stable
5106	!> cluster. See Sihto et al. (2006), Atmos. Chem. Phys., 6(12), 4079-4091.
5107	!>
5108	!> Below the following assumption have been made:
5109	!> nucrate = coagcoeffzpcsa*2
5110	!> coagcoeff = 8sqrt(3boltzptempr_abs/dens_abs)
5111	!> r_abs = 0.315d-9 radius of bisulphate molecule [m]
5112	!> dens_abs = 1465 density of - " - [kg/m3]
5113	!------------------------------------------------------------------------------!
5114	SUBROUTINE kinnucl( pc_sa, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, pk_sa, pk_ocnv )
5115
5116	IMPLICIT NONE
5117
5118	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/m3)
5119
5120	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5121	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5122	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 is participate in nucleation
5123	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5124	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5125	REAL(wp), INTENT(out) :: pnuc_rate !< nucl. rate (#/(m3 s))
5126	!
5127	!-- Nucleation rate (#/(m3 s))
5128	pnuc_rate = 5.0E-13_wp * pc_sa*2.0_wp 1.0E+6_wp
5129	!
5130	!-- Organic compounds not involved when kinetic nucleation is assumed.
5131	pn_crit_sa = 2.0_wp
5132	pn_crit_ocnv = 0.0_wp
5133	pk_sa = 1.0_wp
5134	pk_ocnv = 0.0_wp
5135	pd_crit = 7.9375E-10_wp ! (m)
5136
5137	END SUBROUTINE kinnucl
5138
5139	!------------------------------------------------------------------------------!
5140	! Description:
5141	! ------------
5142	!> Calculate the nucleation rate and the size of critical clusters assuming
5143	!> activation type nucleation.
5144	!> See Riipinen et al. (2007), Atmos. Chem. Phys., 7(8), 1899-1914.
5145	!------------------------------------------------------------------------------!
5146	SUBROUTINE actnucl( psa_conc, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, pk_sa, pk_ocnv, activ )
5147
5148	IMPLICIT NONE
5149
5150	REAL(wp), INTENT(in) :: activ !< activation coefficient (1e-7 by default)
5151	REAL(wp), INTENT(in) :: psa_conc !< H2SO4 conc. (#/m3)
5152
5153	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5154	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5155	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5156	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5157	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5158	REAL(wp), INTENT(out) :: pnuc_rate !< nucl. rate (#/(m3 s))
5159	!
5160	!-- Nucleation rate (#/(m3 s))
5161	pnuc_rate = activ * psa_conc ! (#/(m3 s))
5162	!
5163	!-- Organic compounds not involved when kinetic nucleation is assumed.
5164	pn_crit_sa = 2.0_wp
5165	pn_crit_ocnv = 0.0_wp
5166	pk_sa = 1.0_wp
5167	pk_ocnv = 0.0_wp
5168	pd_crit = 7.9375E-10_wp ! (m)
5169
5170	END SUBROUTINE actnucl
5171
5172	!------------------------------------------------------------------------------!
5173	! Description:
5174	! ------------
5175	!> Conciders only the organic matter in nucleation. Paasonen et al. (2010)
5176	!> determined particle formation rates for 2 nm particles, J2, from different
5177	!> kind of combinations of sulphuric acid and organic matter concentration.
5178	!> See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.
5179	!------------------------------------------------------------------------------!
5180	SUBROUTINE orgnucl( pc_org, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, &
5181	pk_sa, pk_ocnv )
5182
5183	IMPLICIT NONE
5184
5185	REAL(wp) :: a_org = 1.3E-7_wp !< (1/s) (Paasonen et al. Table 4: median)
5186
5187	REAL(wp), INTENT(in) :: pc_org !< organic vapour concentration (#/m3)
5188
5189	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5190	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5191	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5192	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5193	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5194	REAL(wp), INTENT(out) :: pnuc_rate !< nucl. rate (#/(m3 s))
5195	!
5196	!-- Homomolecular nuleation rate
5197	pnuc_rate = a_org * pc_org
5198	!
5199	!-- H2SO4 not involved when pure organic nucleation is assumed.
5200	pn_crit_sa = 0.0_wp
5201	pn_crit_ocnv = 1.0_wp
5202	pk_sa = 0.0_wp
5203	pk_ocnv = 1.0_wp
5204	pd_crit = 1.5E-9_wp ! (m)
5205
5206	END SUBROUTINE orgnucl
5207
5208	!------------------------------------------------------------------------------!
5209	! Description:
5210	! ------------
5211	!> Conciders both the organic vapor and H2SO4 in nucleation - activation type
5212	!> of nucleation.
5213	!> See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.
5214	!------------------------------------------------------------------------------!
5215	SUBROUTINE sumnucl( pc_sa, pc_org, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, pk_sa, pk_ocnv )
5216
5217	IMPLICIT NONE
5218
5219	REAL(wp) :: a_s1 = 6.1E-7_wp !< (1/s)
5220	REAL(wp) :: a_s2 = 0.39E-7_wp !< (1/s) (Paasonen et al. Table 3.)
5221
5222	REAL(wp), INTENT(in) :: pc_org !< organic vapour concentration (#/m3)
5223	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/m3)
5224
5225	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5226	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5227	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5228	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5229	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5230	REAL(wp), INTENT(out) :: pnuc_rate !< nucl. rate (#/(m3 s))
5231	!
5232	!-- Nucleation rate (#/m3/s)
5233	pnuc_rate = a_s1 * pc_sa + a_s2 * pc_org
5234	!
5235	!-- Both organic compounds and H2SO4 are involved when sumnucleation is assumed.
5236	pn_crit_sa = 1.0_wp
5237	pn_crit_ocnv = 1.0_wp
5238	pk_sa = 1.0_wp
5239	pk_ocnv = 1.0_wp
5240	pd_crit = 1.5E-9_wp ! (m)
5241
5242	END SUBROUTINE sumnucl
5243
5244	!------------------------------------------------------------------------------!
5245	! Description:
5246	! ------------
5247	!> Conciders both the organic vapor and H2SO4 in nucleation - heteromolecular
5248	!> nucleation.
5249	!> See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.
5250	!------------------------------------------------------------------------------!
5251	SUBROUTINE hetnucl( pc_sa, pc_org, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, pk_sa, pk_ocnv )
5252
5253	IMPLICIT NONE
5254
5255	REAL(wp) :: z_k_het = 4.1E-14_wp !< (cm3/s) (Paasonen et al. Table 4: median)
5256
5257	REAL(wp), INTENT(in) :: pc_org !< organic vapour concentration (#/m3)
5258	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/m3)
5259
5260	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5261	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5262	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5263	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5264	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5265	REAL(wp), INTENT(out) :: pnuc_rate !< nucl. rate (#/(m3 s))
5266	!
5267	!-- Nucleation rate (#/m3/s)
5268	pnuc_rate = z_k_het * pc_sa * pc_org * 1.0E6_wp
5269	!
5270	!-- Both organic compounds and H2SO4 are involved when heteromolecular
5271	!-- nucleation is assumed.
5272	pn_crit_sa = 1.0_wp
5273	pn_crit_ocnv = 1.0_wp
5274	pk_sa = 1.0_wp
5275	pk_ocnv = 1.0_wp
5276	pd_crit = 1.5E-9_wp ! (m)
5277
5278	END SUBROUTINE hetnucl
5279
5280	!------------------------------------------------------------------------------!
5281	! Description:
5282	! ------------
5283	!> Takes into account the homomolecular nucleation of sulphuric acid H2SO4 with
5284	!> both of the available vapours.
5285	!> See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.
5286	!------------------------------------------------------------------------------!
5287	SUBROUTINE SAnucl( pc_sa, pc_org, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, pk_sa, pk_ocnv )
5288
5289	IMPLICIT NONE
5290
5291	REAL(wp) :: z_k_sa1 = 1.1E-14_wp !< (cm3/s)
5292	REAL(wp) :: z_k_sa2 = 3.2E-14_wp !< (cm3/s) (Paasonen et al. Table 3.)
5293
5294	REAL(wp), INTENT(in) :: pc_org !< organic vapour concentration (#/m3)
5295	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/m3)
5296
5297	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5298	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate nucleation
5299	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5300	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5301	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5302	REAL(wp), INTENT(out) :: pnuc_rate !< nucleation rate (#/(m3 s))
5303	!
5304	!-- Nucleation rate (#/m3/s)
5305	pnuc_rate = ( z_k_sa1 * pc_sa*2 + z_k_sa2 pc_sa * pc_org ) * 1.0E+6_wp
5306	!
5307	!-- Both organic compounds and H2SO4 are involved when SAnucleation is assumed.
5308	pn_crit_sa = 3.0_wp
5309	pn_crit_ocnv = 1.0_wp
5310	pk_sa = 1.0_wp
5311	pk_ocnv = 1.0_wp
5312	pd_crit = 1.5E-9_wp ! (m)
5313
5314	END SUBROUTINE SAnucl
5315
5316	!------------------------------------------------------------------------------!
5317	! Description:
5318	! ------------
5319	!> Takes into account the homomolecular nucleation of both sulphuric acid and
5320	!> Lorganic with heteromolecular nucleation.
5321	!> See Paasonen et al. (2010), Atmos. Chem. Phys., 10, 11223-11242.
5322	!------------------------------------------------------------------------------!
5323	SUBROUTINE SAORGnucl( pc_sa, pc_org, pnuc_rate, pd_crit, pn_crit_sa, pn_crit_ocnv, pk_sa, pk_ocnv )
5324
5325	IMPLICIT NONE
5326
5327	REAL(wp) :: z_k_s1 = 1.4E-14_wp !< (cm3/s])
5328	REAL(wp) :: z_k_s2 = 2.6E-14_wp !< (cm3/s])
5329	REAL(wp) :: z_k_s3 = 0.037E-14_wp !< (cm3/s]) (Paasonen et al. Table 3.)
5330
5331	REAL(wp), INTENT(in) :: pc_org !< organic vapour concentration (#/m3)
5332	REAL(wp), INTENT(in) :: pc_sa !< H2SO4 conc. (#/m3)
5333
5334	REAL(wp), INTENT(out) :: pd_crit !< critical diameter of clusters (m)
5335	REAL(wp), INTENT(out) :: pk_ocnv !< if pk_ocnv = 1, organic compounds participate in nucleation
5336	REAL(wp), INTENT(out) :: pk_sa !< if pk_sa = 1, H2SO4 participate in nucleation
5337	REAL(wp), INTENT(out) :: pn_crit_ocnv !< number of organic molecules in cluster (#)
5338	REAL(wp), INTENT(out) :: pn_crit_sa !< number of H2SO4 molecules in cluster (#)
5339	REAL(wp), INTENT(out) :: pnuc_rate !< nucl. rate (#/(m3 s))
5340	!
5341	!-- Nucleation rate (#/m3/s)
5342	pnuc_rate = ( z_k_s1 * pc_sa*2 + z_k_s2 pc_sa * pc_org + z_k_s3 * pc_org*2 ) 1.0E+6_wp
5343	!
5344	!-- Organic compounds not involved when kinetic nucleation is assumed.
5345	pn_crit_sa = 3.0_wp
5346	pn_crit_ocnv = 3.0_wp
5347	pk_sa = 1.0_wp
5348	pk_ocnv = 1.0_wp
5349	pd_crit = 1.5E-9_wp ! (m)
5350
5351	END SUBROUTINE SAORGnucl
5352
5353	!------------------------------------------------------------------------------!
5354	! Description:
5355	! ------------
5356	!> Function z_n_nuc_tayl is connected to the calculation of self-coagualtion of
5357	!> small particles. It calculates number of the particles in the size range
5358	!> [zdcrit,dx] using Taylor-expansion (please note that the expansion is not
5359	!> valid for certain rational numbers, e.g. -4/3 and -3/2)
5360	!------------------------------------------------------------------------------!
5361	FUNCTION z_n_nuc_tayl( d1, dx, zm_para, zjnuc_t, zeta, z_gr_tot )
5362
5363	IMPLICIT NONE
5364
5365	INTEGER(iwp) :: i !< running index
5366
5367	REAL(wp) :: d1 !< lower diameter limit
5368	REAL(wp) :: dx !< upper diameter limit
5369	REAL(wp) :: zjnuc_t !< initial nucleation rate (1/s)
5370	REAL(wp) :: zeta !< ratio of CS/GR (m) (condensation sink / growth rate)
5371	REAL(wp) :: term1 !<
5372	REAL(wp) :: term2 !<
5373	REAL(wp) :: term3 !<
5374	REAL(wp) :: term4 !<
5375	REAL(wp) :: term5 !<
5376	REAL(wp) :: z_n_nuc_tayl !< final nucleation rate (1/s)
5377	REAL(wp) :: z_gr_tot !< total growth rate (nm/h)
5378	REAL(wp) :: zm_para !< m parameter in Lehtinen et al. (2007), Eq. 6
5379
5380	z_n_nuc_tayl = 0.0_wp
5381
5382	DO i = 0, 29
5383	IF ( i == 0 .OR. i == 1 ) THEN
5384	term1 = 1.0_wp
5385	ELSE
5386	term1 = term1 * REAL( i, SELECTED_REAL_KIND(12,307) )
5387	END IF
5388	term2 = ( REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp ) * term1
5389	term3 = zeta**i
5390	term4 = term3 / term2
5391	term5 = REAL( i, SELECTED_REAL_KIND(12,307) ) * ( zm_para + 1.0_wp ) + 1.0_wp
5392	z_n_nuc_tayl = z_n_nuc_tayl + term4 * ( dxterm5 - d1term5 )
5393	ENDDO
5394	z_n_nuc_tayl = z_n_nuc_tayl * zjnuc_t * EXP( -zeta * ( d1**( zm_para + 1 ) ) ) / z_gr_tot
5395
5396	END FUNCTION z_n_nuc_tayl
5397
5398	!------------------------------------------------------------------------------!
5399	! Description:
5400	! ------------
5401	!> Calculates the condensation of water vapour on aerosol particles. Follows the
5402	!> analytical predictor method by Jacobson (2005).
5403	!> For equations, see Jacobson (2005), Fundamentals of atmospheric modelling
5404	!> (2nd edition).
5405	!------------------------------------------------------------------------------!
5406	SUBROUTINE gpparth2o( paero, ptemp, ppres, pcs, pcw, ptstep )
5407
5408	IMPLICIT NONE
5409
5410	INTEGER(iwp) :: ib !< loop index
5411	INTEGER(iwp) :: nstr !<
5412
5413	REAL(wp) :: adt !< internal timestep in this subroutine
5414	REAL(wp) :: rhoair !< air density (kg/m3)
5415	REAL(wp) :: ttot !< total time (s)
5416	REAL(wp) :: zact !< Water activity
5417	REAL(wp) :: zaelwc1 !< Current aerosol water content (kg/m3)
5418	REAL(wp) :: zaelwc2 !< New aerosol water content after equilibrium calculation (kg/m3)
5419	REAL(wp) :: zbeta !< Transitional correction factor
5420	REAL(wp) :: zcwc !< Current water vapour mole concentration in aerosols (mol/m3)
5421	REAL(wp) :: zcwint !< Current and new water vapour mole concentrations (mol/m3)
5422	REAL(wp) :: zcwn !< New water vapour mole concentration (mol/m3)
5423	REAL(wp) :: zcwtot !< Total water mole concentration (mol/m3)
5424	REAL(wp) :: zdfh2o !< molecular diffusion coefficient (cm2/s) for water
5425	REAL(wp) :: zhlp1 !< intermediate variable to calculate the mass transfer coefficient
5426	REAL(wp) :: zhlp2 !< intermediate variable to calculate the mass transfer coefficient
5427	REAL(wp) :: zhlp3 !< intermediate variable to calculate the mass transfer coefficient
5428	REAL(wp) :: zknud !< Knudsen number
5429	REAL(wp) :: zmfph2o !< mean free path of H2O gas molecule
5430	REAL(wp) :: zrh !< relative humidity [0-1]
5431	REAL(wp) :: zthcond !< thermal conductivity of air (W/m/K)
5432
5433	REAL(wp), DIMENSION(nbins_aerosol) :: zcwcae !< Current water mole concentrations
5434	REAL(wp), DIMENSION(nbins_aerosol) :: zcwintae !< Current and new aerosol water mole concentration
5435	REAL(wp), DIMENSION(nbins_aerosol) :: zcwnae !< New water mole concentration in aerosols
5436	REAL(wp), DIMENSION(nbins_aerosol) :: zcwsurfae !< Surface mole concentration
5437	REAL(wp), DIMENSION(nbins_aerosol) :: zkelvin !< Kelvin effect
5438	REAL(wp), DIMENSION(nbins_aerosol) :: zmtae !< Mass transfer coefficients
5439	REAL(wp), DIMENSION(nbins_aerosol) :: zwsatae !< Water saturation ratio above aerosols
5440
5441	REAL(wp), INTENT(in) :: ppres !< Air pressure (Pa)
5442	REAL(wp), INTENT(in) :: pcs !< Water vapour saturation concentration (kg/m3)
5443	REAL(wp), INTENT(in) :: ptemp !< Ambient temperature (K)
5444	REAL(wp), INTENT(in) :: ptstep !< timestep (s)
5445
5446	REAL(wp), INTENT(inout) :: pcw !< Water vapour concentration (kg/m3)
5447
5448	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
5449	!
5450	!-- Relative humidity [0-1]
5451	zrh = pcw / pcs
5452	!
5453	!-- Calculate the condensation only for 2a/2b aerosol bins
5454	nstr = start_subrange_2a
5455	!
5456	!-- Save the current aerosol water content, 8 in paero is H2O
5457	zaelwc1 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5458	!
5459	!-- Equilibration:
5460	IF ( advect_particle_water ) THEN
5461	IF ( zrh < 0.98_wp .OR. .NOT. lscndh2oae ) THEN
5462	CALL equilibration( zrh, ptemp, paero, .TRUE. )
5463	ELSE
5464	CALL equilibration( zrh, ptemp, paero, .FALSE. )
5465	ENDIF
5466	ENDIF
5467	!
5468	!-- The new aerosol water content after equilibrium calculation
5469	zaelwc2 = SUM( paero(start_subrange_1a:end_subrange_2b)%volc(8) ) * arhoh2o
5470	!
5471	!-- New water vapour mixing ratio (kg/m3)
5472	pcw = pcw - ( zaelwc2 - zaelwc1 ) * ppres * amdair / ( argas * ptemp )
5473	!
5474	!-- Initialise variables
5475	zcwsurfae(:) = 0.0_wp
5476	zhlp1 = 0.0_wp
5477	zhlp2 = 0.0_wp
5478	zhlp3 = 0.0_wp
5479	zmtae(:) = 0.0_wp
5480	zwsatae(:) = 0.0_wp
5481	!
5482	!-- Air:
5483	!-- Density (kg/m3)
5484	rhoair = amdair * ppres / ( argas * ptemp )
5485	!
5486	!-- Thermal conductivity of air
5487	zthcond = 0.023807_wp + 7.1128E-5_wp * ( ptemp - 273.16_wp )
5488	!
5489	!-- Water vapour:
5490	!-- Molecular diffusion coefficient (cm2/s) (eq.16.17)
5491	zdfh2o = ( 5.0_wp / ( 16.0_wp * avo * rhoair * 1.0E-3_wp * 3.11E-8_wp*2 ) ) SQRT( argas * &
5492	1.0E+7_wp * ptemp * amdair * 1.0E+3_wp * ( amh2o + amdair ) * 1.0E+3_wp / &
5493	( pi * amh2o * 2.0E+3_wp ) )
5494	zdfh2o = zdfh2o * 1.0E-4 ! Unit change to m^2/s
5495	!
5496	!-- Mean free path (eq. 15.25 & 16.29)
5497	zmfph2o = 3.0_wp * zdfh2o * SQRT( pi * amh2o / ( 8.0_wp * argas * ptemp ) )
5498	!
5499	!-- Kelvin effect (eq. 16.33)
5500	zkelvin(:) = EXP( 4.0_wp * surfw0 * amh2o / ( argas * ptemp * arhoh2o * paero(:)%dwet) )
5501
5502	DO ib = 1, nbins_aerosol
5503	IF ( paero(ib)%numc > nclim .AND. zrh > 0.98_wp ) THEN
5504	!
5505	!-- Water activity
5506	zact = acth2o( paero(ib) )
5507	!
5508	!-- Saturation mole concentration over flat surface. Limit the super-
5509	!-- saturation to max 1.01 for the mass transfer. Experimental!
5510	zcwsurfae(ib) = MAX( pcs, pcw / 1.01_wp ) * rhoair / amh2o
5511	!
5512	!-- Equilibrium saturation ratio
5513	zwsatae(ib) = zact * zkelvin(ib)
5514	!
5515	!-- Knudsen number (eq. 16.20)
5516	zknud = 2.0_wp * zmfph2o / paero(ib)%dwet
5517	!
5518	!-- Transitional correction factor (Fuks & Sutugin, 1971)
5519	zbeta = ( zknud + 1.0_wp ) / ( 0.377_wp * zknud + 1.0_wp + 4.0_wp / &
5520	( 3.0_wp * massacc(ib) ) * ( zknud + zknud**2 ) )
5521	!
5522	!-- Mass transfer of H2O: Eq. 16.64 but here D^eff = zdfh2o * zbeta
5523	zhlp1 = paero(ib)%numc * 2.0_wp * pi * paero(ib)%dwet * zdfh2o * zbeta
5524	!
5525	!-- 1st term on the left side of the denominator in eq. 16.55
5526	zhlp2 = amh2o * zdfh2o * alv * zwsatae(ib) * zcwsurfae(ib) / ( zthcond * ptemp )
5527	!
5528	!-- 2nd term on the left side of the denominator in eq. 16.55
5529	zhlp3 = ( ( alv * amh2o ) / ( argas * ptemp ) ) - 1.0_wp
5530	!
5531	!-- Full eq. 16.64: Mass transfer coefficient (1/s)
5532	zmtae(ib) = zhlp1 / ( zhlp2 * zhlp3 + 1.0_wp )
5533	ENDIF
5534	ENDDO
5535	!
5536	!-- Current mole concentrations of water
5537	zcwc = pcw * rhoair / amh2o ! as vapour
5538	zcwcae(:) = paero(:)%volc(8) * arhoh2o / amh2o ! in aerosols
5539	zcwtot = zcwc + SUM( zcwcae ) ! total water concentration
5540	zcwnae(:) = 0.0_wp
5541	zcwintae(:) = zcwcae(:)
5542	!
5543	!-- Substepping loop
5544	zcwint = 0.0_wp
5545	ttot = 0.0_wp
5546	DO WHILE ( ttot < ptstep )
5547	adt = 2.0E-2_wp ! internal timestep
5548	!
5549	!-- New vapour concentration: (eq. 16.71)
5550	zhlp1 = zcwc + adt * ( SUM( zmtae(nstr:nbins_aerosol) * zwsatae(nstr:nbins_aerosol) * &
5551	zcwsurfae(nstr:nbins_aerosol) ) ) ! numerator
5552	zhlp2 = 1.0_wp + adt * ( SUM( zmtae(nstr:nbins_aerosol) ) ) ! denomin.
5553	zcwint = zhlp1 / zhlp2 ! new vapour concentration
5554	zcwint = MIN( zcwint, zcwtot )
5555	IF ( ANY( paero(:)%numc > nclim ) .AND. zrh > 0.98_wp ) THEN
5556	DO ib = nstr, nbins_aerosol
5557	zcwintae(ib) = zcwcae(ib) + MIN( MAX( adt * zmtae(ib) * ( zcwint - zwsatae(ib) * &
5558	zcwsurfae(ib) ), -0.02_wp * zcwcae(ib) ), &
5559	0.05_wp * zcwcae(ib) )
5560	zwsatae(ib) = acth2o( paero(ib), zcwintae(ib) ) * zkelvin(ib)
5561	ENDDO
5562	ENDIF
5563	zcwintae(nstr:nbins_aerosol) = MAX( zcwintae(nstr:nbins_aerosol), 0.0_wp )
5564	!
5565	!-- Update vapour concentration for consistency
5566	zcwint = zcwtot - SUM( zcwintae(1:nbins_aerosol) )
5567	!
5568	!-- Update "old" values for next cycle
5569	zcwcae = zcwintae
5570
5571	ttot = ttot + adt
5572
5573	ENDDO ! ADT
5574
5575	zcwn = zcwint
5576	zcwnae(:) = zcwintae(:)
5577	pcw = zcwn * amh2o / rhoair
5578	paero(:)%volc(8) = MAX( 0.0_wp, zcwnae(:) * amh2o / arhoh2o )
5579
5580	END SUBROUTINE gpparth2o
5581
5582	!------------------------------------------------------------------------------!
5583	! Description:
5584	! ------------
5585	!> Calculates the activity coefficient of liquid water
5586	!------------------------------------------------------------------------------!
5587	REAL(wp) FUNCTION acth2o( ppart, pcw )
5588
5589	IMPLICIT NONE
5590
5591	REAL(wp) :: zns !< molar concentration of solutes (mol/m3)
5592	REAL(wp) :: znw !< molar concentration of water (mol/m3)
5593
5594	REAL(wp), INTENT(in), OPTIONAL :: pcw !< molar concentration of water (mol/m3)
5595
5596	TYPE(t_section), INTENT(in) :: ppart !< Aerosol properties of a bin
5597
5598	zns = ( 3.0_wp * ( ppart%volc(1) * arhoh2so4 / amh2so4 ) + ( ppart%volc(2) * arhooc / amoc ) + &
5599	2.0_wp * ( ppart%volc(5) * arhoss / amss ) + ( ppart%volc(6) * arhohno3 / amhno3 ) + &
5600	( ppart%volc(7) * arhonh3 / amnh3 ) )
5601
5602	IF ( PRESENT(pcw) ) THEN
5603	znw = pcw
5604	ELSE
5605	znw = ppart%volc(8) * arhoh2o / amh2o
5606	ENDIF
5607	!
5608	!-- Activity = partial pressure of water vapour / sat. vapour pressure of water over a liquid surface
5609	!-- = molality * activity coefficient (Jacobson, 2005: eq. 17.20-21)
5610	!-- Assume activity coefficient of 1 for water
5611	acth2o = MAX( 0.1_wp, znw / MAX( EPSILON( 1.0_wp ),( znw + zns ) ) )
5612
5613	END FUNCTION acth2o
5614
5615	!------------------------------------------------------------------------------!
5616	! Description:
5617	! ------------
5618	!> Calculates the dissolutional growth of particles (i.e. gas transfers to a
5619	!> particle surface and dissolves in liquid water on the surface). Treated here
5620	!> as a non-equilibrium (time-dependent) process. Gases: HNO3 and NH3
5621	!> (Chapter 17.14 in Jacobson, 2005).
5622	!
5623	!> Called from subroutine condensation.
5624	!> Coded by:
5625	!> Harri Kokkola (FMI)
5626	!------------------------------------------------------------------------------!
5627	SUBROUTINE gpparthno3( ppres, ptemp, paero, pghno3, pgnh3, pcw, pcs, pbeta, ptstep )
5628
5629	IMPLICIT NONE
5630
5631	INTEGER(iwp) :: ib !< loop index
5632
5633	REAL(wp) :: adt !< timestep
5634	REAL(wp) :: zc_nh3_c !< Current NH3 gas concentration
5635	REAL(wp) :: zc_nh3_int !< Intermediate NH3 gas concentration
5636	REAL(wp) :: zc_nh3_n !< New NH3 gas concentration
5637	REAL(wp) :: zc_nh3_tot !< Total NH3 concentration
5638	REAL(wp) :: zc_hno3_c !< Current HNO3 gas concentration
5639	REAL(wp) :: zc_hno3_int !< Intermediate HNO3 gas concentration
5640	REAL(wp) :: zc_hno3_n !< New HNO3 gas concentration
5641	REAL(wp) :: zc_hno3_tot !< Total HNO3 concentration
5642	REAL(wp) :: zdfvap !< Diffusion coefficient for vapors
5643	REAL(wp) :: zhlp1 !< intermediate variable
5644	REAL(wp) :: zhlp2 !< intermediate variable
5645	REAL(wp) :: zrh !< relative humidity
5646
5647	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
5648	REAL(wp), INTENT(in) :: pcs !< water vapour saturation
5649	!< concentration (kg/m3)
5650	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5651	REAL(wp), INTENT(in) :: ptstep !< time step (s)
5652
5653	REAL(wp), INTENT(inout) :: pghno3 !< nitric acid concentration (#/m3)
5654	REAL(wp), INTENT(inout) :: pgnh3 !< ammonia conc. (#/m3)
5655	REAL(wp), INTENT(inout) :: pcw !< water vapour concentration (kg/m3)
5656
5657	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hno3_ae !< Activity coefficients for HNO3
5658	REAL(wp), DIMENSION(nbins_aerosol) :: zac_hhso4_ae !< Activity coefficients for HHSO4
5659	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh3_ae !< Activity coefficients for NH3
5660	REAL(wp), DIMENSION(nbins_aerosol) :: zac_nh4hso2_ae !< Activity coefficients for NH4HSO2
5661	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_hno3_eq_ae !< Equilibrium gas concentration: HNO3
5662	REAL(wp), DIMENSION(nbins_aerosol) :: zcg_nh3_eq_ae !< Equilibrium gas concentration: NH3
5663	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_int_ae !< Intermediate HNO3 aerosol concentration
5664	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_c_ae !< Current HNO3 in aerosols
5665	REAL(wp), DIMENSION(nbins_aerosol) :: zc_hno3_n_ae !< New HNO3 in aerosols
5666	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_int_ae !< Intermediate NH3 aerosol concentration
5667	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_c_ae !< Current NH3 in aerosols
5668	REAL(wp), DIMENSION(nbins_aerosol) :: zc_nh3_n_ae !< New NH3 in aerosols
5669	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_hno3_ae !< Kelvin effect for HNO3
5670	REAL(wp), DIMENSION(nbins_aerosol) :: zkel_nh3_ae !< Kelvin effects for NH3
5671	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_hno3_ae !< Mass transfer coefficients for HNO3
5672	REAL(wp), DIMENSION(nbins_aerosol) :: zmt_nh3_ae !< Mass transfer coefficients for NH3
5673	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_hno3_ae !< HNO3 saturation ratio over a surface
5674	REAL(wp), DIMENSION(nbins_aerosol) :: zsat_nh3_ae !< NH3 saturation ratio over a surface
5675
5676	REAL(wp), DIMENSION(nbins_aerosol,maxspec) :: zion_mols !< Ion molalities from pdfite aerosols
5677
5678	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pbeta !< transitional correction factor for
5679
5680	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
5681	!
5682	!-- Initialise:
5683	adt = ptstep
5684	zac_hhso4_ae = 0.0_wp
5685	zac_nh3_ae = 0.0_wp
5686	zac_nh4hso2_ae = 0.0_wp
5687	zac_hno3_ae = 0.0_wp
5688	zcg_nh3_eq_ae = 0.0_wp
5689	zcg_hno3_eq_ae = 0.0_wp
5690	zion_mols = 0.0_wp
5691	zsat_nh3_ae = 1.0_wp
5692	zsat_hno3_ae = 1.0_wp
5693	!
5694	!-- Diffusion coefficient (m2/s)
5695	zdfvap = 5.1111E-10_wp * ptemp*1.75_wp ( p_0 + 1325.0_wp ) / ppres
5696	!
5697	!-- Kelvin effects (Jacobson (2005), eq. 16.33)
5698	zkel_hno3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvhno3 / &
5699	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
5700	zkel_nh3_ae(1:nbins_aerosol) = EXP( 4.0_wp * surfw0 * amvnh3 / &
5701	( abo * ptemp * paero(1:nbins_aerosol)%dwet ) )
5702	!
5703	!-- Current vapour mole concentrations (mol/m3)
5704	zc_hno3_c = pghno3 / avo ! HNO3
5705	zc_nh3_c = pgnh3 / avo ! NH3
5706	!
5707	!-- Current particle mole concentrations (mol/m3)
5708	zc_hno3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(6) * arhohno3 / amhno3
5709	zc_nh3_c_ae(1:nbins_aerosol) = paero(1:nbins_aerosol)%volc(7) * arhonh3 / amnh3
5710	!
5711	!-- Total mole concentrations: gas and particle phase
5712	zc_hno3_tot = zc_hno3_c + SUM( zc_hno3_c_ae(1:nbins_aerosol) )
5713	zc_nh3_tot = zc_nh3_c + SUM( zc_nh3_c_ae(1:nbins_aerosol) )
5714	!
5715	!-- Relative humidity [0-1]
5716	zrh = pcw / pcs
5717	!
5718	!-- Mass transfer coefficients (Jacobson, Eq. 16.64)
5719	zmt_hno3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
5720	zmt_nh3_ae(:) = 2.0_wp * pi * paero(:)%dwet * zdfvap * paero(:)%numc * pbeta(:)
5721
5722	!
5723	!-- Get the equilibrium concentrations above aerosols
5724	CALL nitrate_ammonium_equilibrium( zrh, ptemp, paero, zcg_hno3_eq_ae, zcg_nh3_eq_ae, &
5725	zac_hno3_ae, zac_nh3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
5726	zion_mols )
5727	!
5728	!-- Calculate NH3 and HNO3 saturation ratios for aerosols
5729	CALL nitrate_ammonium_saturation( ptemp, paero, zac_hno3_ae, zac_nh4hso2_ae, zac_hhso4_ae, &
5730	zcg_hno3_eq_ae, zc_hno3_c_ae, zc_nh3_c_ae, zkel_hno3_ae, &
5731	zkel_nh3_ae, zsat_hno3_ae, zsat_nh3_ae )
5732	!
5733	!-- Intermediate gas concentrations of HNO3 and NH3
5734	zhlp1 = SUM( zc_hno3_c_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
5735	zhlp2 = SUM( zmt_hno3_ae(:) / ( 1.0_wp + adt * zmt_hno3_ae(:) * zsat_hno3_ae(:) ) )
5736	zc_hno3_int = ( zc_hno3_tot - zhlp1 ) / ( 1.0_wp + adt * zhlp2 )
5737
5738	zhlp1 = SUM( zc_nh3_c_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
5739	zhlp2 = SUM( zmt_nh3_ae(:) / ( 1.0_wp + adt * zmt_nh3_ae(:) * zsat_nh3_ae(:) ) )
5740	zc_nh3_int = ( zc_nh3_tot - zhlp1 )/( 1.0_wp + adt * zhlp2 )
5741
5742	zc_hno3_int = MIN( zc_hno3_int, zc_hno3_tot )
5743	zc_nh3_int = MIN( zc_nh3_int, zc_nh3_tot )
5744	!
5745	!-- Calculate the new concentration on aerosol particles
5746	zc_hno3_int_ae = zc_hno3_c_ae
5747	zc_nh3_int_ae = zc_nh3_c_ae
5748	DO ib = 1, nbins_aerosol
5749	zc_hno3_int_ae(ib) = ( zc_hno3_c_ae(ib) + adt * zmt_hno3_ae(ib) * zc_hno3_int ) / &
5750	( 1.0_wp + adt * zmt_hno3_ae(ib) * zsat_hno3_ae(ib) )
5751	zc_nh3_int_ae(ib) = ( zc_nh3_c_ae(ib) + adt * zmt_nh3_ae(ib) * zc_nh3_int ) / &
5752	( 1.0_wp + adt * zmt_nh3_ae(ib) * zsat_nh3_ae(ib) )
5753	ENDDO
5754
5755	zc_hno3_int_ae(:) = MAX( zc_hno3_int_ae(:), 0.0_wp )
5756	zc_nh3_int_ae(:) = MAX( zc_nh3_int_ae(:), 0.0_wp )
5757	!
5758	!-- Final molar gas concentration and molar particle concentration of HNO3
5759	zc_hno3_n = zc_hno3_int
5760	zc_hno3_n_ae = zc_hno3_int_ae
5761	!
5762	!-- Final molar gas concentration and molar particle concentration of NH3
5763	zc_nh3_n = zc_nh3_int
5764	zc_nh3_n_ae = zc_nh3_int_ae
5765	!
5766	!-- Model timestep reached - update the gas concentrations
5767	pghno3 = zc_hno3_n * avo
5768	pgnh3 = zc_nh3_n * avo
5769	!
5770	!-- Update the particle concentrations
5771	DO ib = start_subrange_1a, end_subrange_2b
5772	paero(ib)%volc(6) = zc_hno3_n_ae(ib) * amhno3 / arhohno3
5773	paero(ib)%volc(7) = zc_nh3_n_ae(ib) * amnh3 / arhonh3
5774	ENDDO
5775
5776	END SUBROUTINE gpparthno3
5777	!------------------------------------------------------------------------------!
5778	! Description:
5779	! ------------
5780	!> Calculate the equilibrium concentrations above aerosols (reference?)
5781	!------------------------------------------------------------------------------!
5782	SUBROUTINE nitrate_ammonium_equilibrium( prh, ptemp, ppart, pcg_hno3_eq, pcg_nh3_eq, pgamma_hno3, &
5783	pgamma_nh4, pgamma_nh4hso2, pgamma_hhso4, pmols )
5784
5785	IMPLICIT NONE
5786
5787	INTEGER(iwp) :: ib !< loop index: aerosol bins
5788
5789	REAL(wp) :: zhlp !< intermediate variable
5790	REAL(wp) :: zp_hcl !< Equilibrium vapor pressures (Pa) of HCl
5791	REAL(wp) :: zp_hno3 !< Equilibrium vapor pressures (Pa) of HNO3
5792	REAL(wp) :: zp_nh3 !< Equilibrium vapor pressures (Pa) of NH3
5793	REAL(wp) :: zwatertotal !< Total water in particles (mol/m3)
5794
5795	REAL(wp), INTENT(in) :: prh !< relative humidity
5796	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5797
5798	REAL(wp), DIMENSION(maxspec) :: zgammas !< Activity coefficients
5799	REAL(wp), DIMENSION(maxspec) :: zions !< molar concentration of ion (mol/m3)
5800
5801	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_nh3_eq !< equilibrium molar
5802	!< concentration: of NH3
5803	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pcg_hno3_eq !< of HNO3
5804	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hhso4 !< activity coeff. of HHSO4
5805	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4 !< activity coeff. of NH3
5806	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_nh4hso2 !< activity coeff. of NH4HSO2
5807	REAL(wp), DIMENSION(nbins_aerosol), INTENT(inout) :: pgamma_hno3 !< activity coeff. of HNO3
5808
5809	REAL(wp), DIMENSION(nbins_aerosol,maxspec), INTENT(inout) :: pmols !< Ion molalities
5810
5811	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
5812
5813	zgammas = 0.0_wp
5814	zhlp = 0.0_wp
5815	zions = 0.0_wp
5816	zp_hcl = 0.0_wp
5817	zp_hno3 = 0.0_wp
5818	zp_nh3 = 0.0_wp
5819	zwatertotal = 0.0_wp
5820
5821	DO ib = 1, nbins_aerosol
5822
5823	IF ( ppart(ib)%numc < nclim ) CYCLE
5824	!
5825	!-- Ion molar concentrations: 2*H2SO4 + CL + NO3 - Na - NH4
5826	zhlp = 2.0_wp * ppart(ib)%volc(1) * arhoh2so4 / amh2so4 + ppart(ib)%volc(5) * arhoss / amss &
5827	+ ppart(ib)%volc(6) * arhohno3 / amhno3 - ppart(ib)%volc(5) * arhoss / amss - &
5828	ppart(ib)%volc(7) * arhonh3 / amnh3
5829
5830	zions(1) = zhlp ! H+
5831	zions(2) = ppart(ib)%volc(7) * arhonh3 / amnh3 ! NH4+
5832	zions(3) = ppart(ib)%volc(5) * arhoss / amss ! Na+
5833	zions(4) = ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ! SO4(2-)
5834	zions(5) = 0.0_wp ! HSO4-
5835	zions(6) = ppart(ib)%volc(6) * arhohno3 / amhno3 ! NO3-
5836	zions(7) = ppart(ib)%volc(5) * arhoss / amss ! Cl-
5837
5838	zwatertotal = ppart(ib)%volc(8) * arhoh2o / amh2o
5839	IF ( zwatertotal > 1.0E-30_wp ) THEN
5840	CALL inorganic_pdfite( prh, ptemp, zions, zwatertotal, zp_hno3, zp_hcl, zp_nh3, zgammas, &
5841	pmols(ib,:) )
5842	ENDIF
5843	!
5844	!-- Activity coefficients
5845	pgamma_hno3(ib) = zgammas(1) ! HNO3
5846	pgamma_nh4(ib) = zgammas(3) ! NH3
5847	pgamma_nh4hso2(ib) = zgammas(6) ! NH4HSO2
5848	pgamma_hhso4(ib) = zgammas(7) ! HHSO4
5849	!
5850	!-- Equilibrium molar concentrations (mol/m3) from equlibrium pressures (Pa)
5851	pcg_hno3_eq(ib) = zp_hno3 / ( argas * ptemp )
5852	pcg_nh3_eq(ib) = zp_nh3 / ( argas * ptemp )
5853
5854	ENDDO
5855
5856	END SUBROUTINE nitrate_ammonium_equilibrium
5857
5858	!------------------------------------------------------------------------------!
5859	! Description:
5860	! ------------
5861	!> Calculate saturation ratios of NH4 and HNO3 for aerosols
5862	!------------------------------------------------------------------------------!
5863	SUBROUTINE nitrate_ammonium_saturation( ptemp, ppart, pachno3, pacnh4hso2, pachhso4, pchno3eq, &
5864	pchno3, pc_nh3, pkelhno3, pkelnh3, psathno3, psatnh3 )
5865
5866	IMPLICIT NONE
5867
5868	INTEGER(iwp) :: ib !< running index for aerosol bins
5869
5870	REAL(wp) :: k_ll_h2o !< equilibrium constants of equilibrium reactions:
5871	!< H2O(aq) <--> H+ + OH- (mol/kg)
5872	REAL(wp) :: k_ll_nh3 !< NH3(aq) + H2O(aq) <--> NH4+ + OH- (mol/kg)
5873	REAL(wp) :: k_gl_nh3 !< NH3(g) <--> NH3(aq) (mol/kg/atm)
5874	REAL(wp) :: k_gl_hno3 !< HNO3(g) <--> H+ + NO3- (mol2/kg2/atm)
5875	REAL(wp) :: zmol_no3 !< molality of NO3- (mol/kg)
5876	REAL(wp) :: zmol_h !< molality of H+ (mol/kg)
5877	REAL(wp) :: zmol_so4 !< molality of SO4(2-) (mol/kg)
5878	REAL(wp) :: zmol_cl !< molality of Cl- (mol/kg)
5879	REAL(wp) :: zmol_nh4 !< molality of NH4+ (mol/kg)
5880	REAL(wp) :: zmol_na !< molality of Na+ (mol/kg)
5881	REAL(wp) :: zhlp1 !< intermediate variable
5882	REAL(wp) :: zhlp2 !< intermediate variable
5883	REAL(wp) :: zhlp3 !< intermediate variable
5884	REAL(wp) :: zxi !< particle mole concentration ratio: (NH3+SS)/H2SO4
5885	REAL(wp) :: zt0 !< reference temp
5886
5887	REAL(wp), PARAMETER :: a1 = -22.52_wp !<
5888	REAL(wp), PARAMETER :: a2 = -1.50_wp !<
5889	REAL(wp), PARAMETER :: a3 = 13.79_wp !<
5890	REAL(wp), PARAMETER :: a4 = 29.17_wp !<
5891	REAL(wp), PARAMETER :: b1 = 26.92_wp !<
5892	REAL(wp), PARAMETER :: b2 = 26.92_wp !<
5893	REAL(wp), PARAMETER :: b3 = -5.39_wp !<
5894	REAL(wp), PARAMETER :: b4 = 16.84_wp !<
5895	REAL(wp), PARAMETER :: K01 = 1.01E-14_wp !<
5896	REAL(wp), PARAMETER :: K02 = 1.81E-5_wp !<
5897	REAL(wp), PARAMETER :: K03 = 57.64_wp !<
5898	REAL(wp), PARAMETER :: K04 = 2.51E+6_wp !<
5899
5900	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
5901
5902	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachhso4 !< activity coeff. of HHSO4
5903	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pacnh4hso2 !< activity coeff. of NH4HSO2
5904	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pachno3 !< activity coeff. of HNO3
5905	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3eq !< eq. surface concentration: HNO3
5906	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pchno3 !< current particle mole
5907	!< concentration of HNO3 (mol/m3)
5908	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pc_nh3 !< of NH3 (mol/m3)
5909	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelhno3 !< Kelvin effect for HNO3
5910	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pkelnh3 !< Kelvin effect for NH3
5911
5912	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psathno3 !< saturation ratio of HNO3
5913	REAL(wp), DIMENSION(nbins_aerosol), INTENT(out) :: psatnh3 !< saturation ratio of NH3
5914
5915	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: ppart !< Aerosol properties
5916
5917	zmol_cl = 0.0_wp
5918	zmol_h = 0.0_wp
5919	zmol_na = 0.0_wp
5920	zmol_nh4 = 0.0_wp
5921	zmol_no3 = 0.0_wp
5922	zmol_so4 = 0.0_wp
5923	zt0 = 298.15_wp
5924	zxi = 0.0_wp
5925	!
5926	!-- Calculates equlibrium rate constants based on Table B.7 in Jacobson (2005):
5927	!-- K^ll_H20, K^ll_NH3, K^gl_NH3, K^gl_HNO3
5928	zhlp1 = zt0 / ptemp
5929	zhlp2 = zhlp1 - 1.0_wp
5930	zhlp3 = 1.0_wp + LOG( zhlp1 ) - zhlp1
5931
5932	k_ll_h2o = K01 * EXP( a1 * zhlp2 + b1 * zhlp3 )
5933	k_ll_nh3 = K02 * EXP( a2 * zhlp2 + b2 * zhlp3 )
5934	k_gl_nh3 = K03 * EXP( a3 * zhlp2 + b3 * zhlp3 )
5935	k_gl_hno3 = K04 * EXP( a4 * zhlp2 + b4 * zhlp3 )
5936
5937	DO ib = 1, nbins_aerosol
5938
5939	IF ( ppart(ib)%numc > nclim .AND. ppart(ib)%volc(8) > 1.0E-30_wp ) THEN
5940	!
5941	!-- Molality of H+ and NO3-
5942	zhlp1 = pc_nh3(ib) * amnh3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * arhooc &
5943	+ ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
5944	zmol_no3 = pchno3(ib) / zhlp1 !< mol/kg
5945	!
5946	!-- Particle mole concentration ratio: (NH3+SS)/H2SO4
5947	zxi = ( pc_nh3(ib) + ppart(ib)%volc(5) * arhoss / amss ) / ( ppart(ib)%volc(1) * &
5948	arhoh2so4 / amh2so4 )
5949
5950	IF ( zxi <= 2.0_wp ) THEN
5951	!
5952	!-- Molality of SO4(2-)
5953	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
5954	ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
5955	zmol_so4 = ( ppart(ib)%volc(1) * arhoh2so4 / amh2so4 ) / zhlp1
5956	!
5957	!-- Molality of Cl-
5958	zhlp1 = pc_nh3(ib) * amnh3 + pchno3(ib) * amhno3 + ppart(ib)%volc(2) * arhooc + &
5959	ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(8) * arhoh2o
5960	zmol_cl = ( ppart(ib)%volc(5) * arhoss / amss ) / zhlp1
5961	!
5962	!-- Molality of NH4+
5963	zhlp1 = pchno3(ib) * amhno3 + ppart(ib)%volc(1) * arhoh2so4 + ppart(ib)%volc(2) * &
5964	arhooc + ppart(ib)%volc(5) * arhoss + ppart(ib)%volc(8) * arhoh2o
5965	zmol_nh4 = pc_nh3(ib) / zhlp1
5966	!
5967	!-- Molality of Na+
5968	zmol_na = zmol_cl
5969	!
5970	!-- Molality of H+
5971	zmol_h = 2.0_wp * zmol_so4 + zmol_no3 + zmol_cl - ( zmol_nh4 + zmol_na )
5972
5973	ELSE
5974
5975	zhlp2 = pkelhno3(ib) * zmol_no3 * pachno3(ib)**2
5976
5977	IF ( zhlp2 > 1.0E-30_wp ) THEN
5978	zmol_h = k_gl_hno3 * pchno3eq(ib) / zhlp2 ! Eq. 17.38
5979	ELSE
5980	zmol_h = 0.0_wp
5981	ENDIF
5982
5983	ENDIF
5984
5985	zhlp1 = ppart(ib)%volc(8) * arhoh2o * argas * ptemp * k_gl_hno3
5986	!
5987	!-- Saturation ratio for NH3 and for HNO3
5988	IF ( zmol_h > 0.0_wp ) THEN
5989	zhlp2 = pkelnh3(ib) / ( zhlp1 * zmol_h )
5990	zhlp3 = k_ll_h2o / ( k_ll_nh3 + k_gl_nh3 )
5991	psatnh3(ib) = zhlp2 * ( ( pacnh4hso2(ib) / pachhso4(ib) )*2 ) zhlp3
5992	psathno3(ib) = ( pkelhno3(ib) * zmol_h * pachno3(ib)**2 ) / zhlp1
5993	ELSE
5994	psatnh3(ib) = 1.0_wp
5995	psathno3(ib) = 1.0_wp
5996	ENDIF
5997	ELSE
5998	psatnh3(ib) = 1.0_wp
5999	psathno3(ib) = 1.0_wp
6000	ENDIF
6001
6002	ENDDO
6003
6004	END SUBROUTINE nitrate_ammonium_saturation
6005
6006	!------------------------------------------------------------------------------!
6007	! Description:
6008	! ------------
6009	!> Prototype module for calculating the water content of a mixed inorganic/
6010	!> organic particle + equilibrium water vapour pressure above the solution
6011	!> (HNO3, HCL, NH3 and representative organic compounds. Efficient calculation
6012	!> of the partitioning of species between gas and aerosol. Based in a chamber
6013	!> study.
6014	!
6015	!> Written by Dave Topping. Pure organic component properties predicted by Mark
6016	!> Barley based on VOCs predicted in MCM simulations performed by Mike Jenkin.
6017	!> Delivered by Gordon McFiggans as Deliverable D22 from WP1.4 in the EU FP6
6018	!> EUCAARI Integrated Project.
6019	!
6020	!> REFERENCES
6021	!> Clegg et al. (1998) A Thermodynamic Model of the System H+-NH4+-Na+-SO42- -NO3--Cl--H2O at
6022	!> 298.15 K, J. Phys. Chem., 102A, 2155-2171.
6023	!> Clegg et al. (2001) Thermodynamic modelling of aqueous aerosols containing electrolytes and
6024	!> dissolved organic compounds. Journal of Aerosol Science 2001;32(6):713-738.
6025	!> Topping et al. (2005a) A curved multi-component aerosol hygroscopicity model framework: Part 1 -
6026	!> Inorganic compounds. Atmospheric Chemistry and Physics 2005;5:1205-1222.
6027	!> Topping et al. (2005b) A curved multi-component aerosol hygroscopicity model framework: Part 2 -
6028	!> Including organic compounds. Atmospheric Chemistry and Physics 2005;5:1223-1242.
6029	!> Wagman et al. (1982). The NBS tables of chemical thermodynamic properties: selected values for
6030	!> inorganic and Câ and Câ organic substances in SI units (book)
6031	!> Zaveri et al. (2005). A new method for multicomponent activity coefficients of electrolytes in
6032	!> aqueous atmospheric aerosols, JGR, 110, D02201, 2005.
6033	!
6034	!> Queries concerning the use of this code through Gordon McFiggans,
6035	!> g.mcfiggans@manchester.ac.uk,
6036	!> Ownership: D. Topping, Centre for Atmospheric Sciences, University of
6037	!> Manchester, 2007
6038	!
6039	!> Rewritten to PALM by Mona Kurppa, UHel, 2017
6040	!------------------------------------------------------------------------------!
6041	SUBROUTINE inorganic_pdfite( rh, temp, ions, water_total, press_hno3, press_hcl, press_nh3, &
6042	gamma_out, mols_out )
6043
6044	IMPLICIT NONE
6045
6046	INTEGER(iwp) :: binary_case
6047	INTEGER(iwp) :: full_complexity
6048
6049	REAL(wp) :: a !< auxiliary variable
6050	REAL(wp) :: act_product !< ionic activity coef. product:
6051	!< = (gamma_h2so43d0) / gamma_hhso42d0)
6052	REAL(wp) :: ammonium_chloride !<
6053	REAL(wp) :: ammonium_chloride_eq_frac !<
6054	REAL(wp) :: ammonium_nitrate !<
6055	REAL(wp) :: ammonium_nitrate_eq_frac !<
6056	REAL(wp) :: ammonium_sulphate !<
6057	REAL(wp) :: ammonium_sulphate_eq_frac !<
6058	REAL(wp) :: b !< auxiliary variable
6059	REAL(wp) :: binary_h2so4 !< binary H2SO4 activity coeff.
6060	REAL(wp) :: binary_hcl !< binary HCL activity coeff.
6061	REAL(wp) :: binary_hhso4 !< binary HHSO4 activity coeff.
6062	REAL(wp) :: binary_hno3 !< binary HNO3 activity coeff.
6063	REAL(wp) :: binary_nh4hso4 !< binary NH4HSO4 activity coeff.
6064	REAL(wp) :: c !< auxiliary variable
6065	REAL(wp) :: charge_sum !< sum of ionic charges
6066	REAL(wp) :: gamma_h2so4 !< activity coefficient
6067	REAL(wp) :: gamma_hcl !< activity coefficient
6068	REAL(wp) :: gamma_hhso4 !< activity coeffient
6069	REAL(wp) :: gamma_hno3 !< activity coefficient
6070	REAL(wp) :: gamma_nh3 !< activity coefficient
6071	REAL(wp) :: gamma_nh4hso4 !< activity coefficient
6072	REAL(wp) :: h_out !<
6073	REAL(wp) :: h_real !< new hydrogen ion conc.
6074	REAL(wp) :: h2so4_hcl !< contribution of H2SO4
6075	REAL(wp) :: h2so4_hno3 !< contribution of H2SO4
6076	REAL(wp) :: h2so4_nh3 !< contribution of H2SO4
6077	REAL(wp) :: h2so4_nh4hso4 !< contribution of H2SO4
6078	REAL(wp) :: hcl_h2so4 !< contribution of HCL
6079	REAL(wp) :: hcl_hhso4 !< contribution of HCL
6080	REAL(wp) :: hcl_hno3 !< contribution of HCL
6081	REAL(wp) :: hcl_nh4hso4 !< contribution of HCL
6082	REAL(wp) :: henrys_temp_dep !< temperature dependence of Henry's Law
6083	REAL(wp) :: hno3_h2so4 !< contribution of HNO3
6084	REAL(wp) :: hno3_hcl !< contribution of HNO3
6085	REAL(wp) :: hno3_hhso4 !< contribution of HNO3
6086	REAL(wp) :: hno3_nh3 !< contribution of HNO3
6087	REAL(wp) :: hno3_nh4hso4 !< contribution of HNO3
6088	REAL(wp) :: hso4_out !<
6089	REAL(wp) :: hso4_real !< new bisulphate ion conc.
6090	REAL(wp) :: hydrochloric_acid !<
6091	REAL(wp) :: hydrochloric_acid_eq_frac !<
6092	REAL(wp) :: k_h !< equilibrium constant for H+
6093	REAL(wp) :: k_hcl !< equilibrium constant of HCL
6094	REAL(wp) :: k_hno3 !< equilibrium constant of HNO3
6095	REAL(wp) :: k_nh4 !< equilibrium constant for NH4+
6096	REAL(wp) :: k_h2o !< equil. const. for water_surface
6097	REAL(wp) :: ln_h2so4_act !< gamma_h2so4 = EXP(ln_h2so4_act)
6098	REAL(wp) :: ln_HCL_act !< gamma_hcl = EXP( ln_HCL_act )
6099	REAL(wp) :: ln_hhso4_act !< gamma_hhso4 = EXP(ln_hhso4_act)
6100	REAL(wp) :: ln_hno3_act !< gamma_hno3 = EXP( ln_hno3_act )
6101	REAL(wp) :: ln_nh4hso4_act !< gamma_nh4hso4 = EXP( ln_nh4hso4_act )
6102	REAL(wp) :: molality_ratio_nh3 !< molality ratio of NH3 (NH4+ and H+)
6103	REAL(wp) :: na2so4_h2so4 !< contribution of Na2SO4
6104	REAL(wp) :: na2so4_hcl !< contribution of Na2SO4
6105	REAL(wp) :: na2so4_hhso4 !< contribution of Na2SO4
6106	REAL(wp) :: na2so4_hno3 !< contribution of Na2SO4
6107	REAL(wp) :: na2so4_nh3 !< contribution of Na2SO4
6108	REAL(wp) :: na2so4_nh4hso4 !< contribution of Na2SO4
6109	REAL(wp) :: nacl_h2so4 !< contribution of NaCl
6110	REAL(wp) :: nacl_hcl !< contribution of NaCl
6111	REAL(wp) :: nacl_hhso4 !< contribution of NaCl
6112	REAL(wp) :: nacl_hno3 !< contribution of NaCl
6113	REAL(wp) :: nacl_nh3 !< contribution of NaCl
6114	REAL(wp) :: nacl_nh4hso4 !< contribution of NaCl
6115	REAL(wp) :: nano3_h2so4 !< contribution of NaNO3
6116	REAL(wp) :: nano3_hcl !< contribution of NaNO3
6117	REAL(wp) :: nano3_hhso4 !< contribution of NaNO3
6118	REAL(wp) :: nano3_hno3 !< contribution of NaNO3
6119	REAL(wp) :: nano3_nh3 !< contribution of NaNO3
6120	REAL(wp) :: nano3_nh4hso4 !< contribution of NaNO3
6121	REAL(wp) :: nh42so4_h2so4 !< contribution of NH42SO4
6122	REAL(wp) :: nh42so4_hcl !< contribution of NH42SO4
6123	REAL(wp) :: nh42so4_hhso4 !< contribution of NH42SO4
6124	REAL(wp) :: nh42so4_hno3 !< contribution of NH42SO4
6125	REAL(wp) :: nh42so4_nh3 !< contribution of NH42SO4
6126	REAL(wp) :: nh42so4_nh4hso4 !< contribution of NH42SO4
6127	REAL(wp) :: nh4cl_h2so4 !< contribution of NH4Cl
6128	REAL(wp) :: nh4cl_hcl !< contribution of NH4Cl
6129	REAL(wp) :: nh4cl_hhso4 !< contribution of NH4Cl
6130	REAL(wp) :: nh4cl_hno3 !< contribution of NH4Cl
6131	REAL(wp) :: nh4cl_nh3 !< contribution of NH4Cl
6132	REAL(wp) :: nh4cl_nh4hso4 !< contribution of NH4Cl
6133	REAL(wp) :: nh4no3_h2so4 !< contribution of NH4NO3
6134	REAL(wp) :: nh4no3_hcl !< contribution of NH4NO3
6135	REAL(wp) :: nh4no3_hhso4 !< contribution of NH4NO3
6136	REAL(wp) :: nh4no3_hno3 !< contribution of NH4NO3
6137	REAL(wp) :: nh4no3_nh3 !< contribution of NH4NO3
6138	REAL(wp) :: nh4no3_nh4hso4 !< contribution of NH4NO3
6139	REAL(wp) :: nitric_acid !<
6140	REAL(wp) :: nitric_acid_eq_frac !< Equivalent fractions
6141	REAL(wp) :: press_hcl !< partial pressure of HCL
6142	REAL(wp) :: press_hno3 !< partial pressure of HNO3
6143	REAL(wp) :: press_nh3 !< partial pressure of NH3
6144	REAL(wp) :: rh !< relative humidity [0-1]
6145	REAL(wp) :: root1 !< auxiliary variable
6146	REAL(wp) :: root2 !< auxiliary variable
6147	REAL(wp) :: so4_out !<
6148	REAL(wp) :: so4_real !< new sulpate ion concentration
6149	REAL(wp) :: sodium_chloride !<
6150	REAL(wp) :: sodium_chloride_eq_frac !<
6151	REAL(wp) :: sodium_nitrate !<
6152	REAL(wp) :: sodium_nitrate_eq_frac !<
6153	REAL(wp) :: sodium_sulphate !<
6154	REAL(wp) :: sodium_sulphate_eq_frac !<
6155	REAL(wp) :: solutes !<
6156	REAL(wp) :: sulphuric_acid !<
6157	REAL(wp) :: sulphuric_acid_eq_frac !<
6158	REAL(wp) :: temp !< temperature
6159	REAL(wp) :: water_total !<
6160
6161	REAL(wp), DIMENSION(:) :: gamma_out !< Activity coefficient for calculating the non-ideal
6162	!< dissociation constants
6163	!< 1: HNO3, 2: HCL, 3: NH4+/H+ (NH3), 4: HHSO4**2/H2SO4,
6164	!< 5: H2SO43/HHSO42, 6: NH4HSO2, 7: HHSO4
6165	REAL(wp), DIMENSION(:) :: ions !< ion molarities (mol/m3): 1: H+, 2: NH4+, 3: Na+,
6166	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6167	REAL(wp), DIMENSION(7) :: ions_mol !< ion molalities (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6168	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6169	REAL(wp), DIMENSION(:) :: mols_out !< ion molality output (mol/kg): 1: H+, 2: NH4+, 3: Na+,
6170	!< 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6171	!
6172	!-- Value initialisation
6173	binary_h2so4 = 0.0_wp
6174	binary_hcl = 0.0_wp
6175	binary_hhso4 = 0.0_wp
6176	binary_hno3 = 0.0_wp
6177	binary_nh4hso4 = 0.0_wp
6178	henrys_temp_dep = ( 1.0_wp / temp - 0.0033557_wp ) ! 1/T - 1/298 K
6179	hcl_hno3 = 1.0_wp
6180	h2so4_hno3 = 1.0_wp
6181	nh42so4_hno3 = 1.0_wp
6182	nh4no3_hno3 = 1.0_wp
6183	nh4cl_hno3 = 1.0_wp
6184	na2so4_hno3 = 1.0_wp
6185	nano3_hno3 = 1.0_wp
6186	nacl_hno3 = 1.0_wp
6187	hno3_hcl = 1.0_wp
6188	h2so4_hcl = 1.0_wp
6189	nh42so4_hcl = 1.0_wp
6190	nh4no3_hcl = 1.0_wp
6191	nh4cl_hcl = 1.0_wp
6192	na2so4_hcl = 1.0_wp
6193	nano3_hcl = 1.0_wp
6194	nacl_hcl = 1.0_wp
6195	hno3_nh3 = 1.0_wp
6196	h2so4_nh3 = 1.0_wp
6197	nh42so4_nh3 = 1.0_wp
6198	nh4no3_nh3 = 1.0_wp
6199	nh4cl_nh3 = 1.0_wp
6200	na2so4_nh3 = 1.0_wp
6201	nano3_nh3 = 1.0_wp
6202	nacl_nh3 = 1.0_wp
6203	hno3_hhso4 = 1.0_wp
6204	hcl_hhso4 = 1.0_wp
6205	nh42so4_hhso4 = 1.0_wp
6206	nh4no3_hhso4 = 1.0_wp
6207	nh4cl_hhso4 = 1.0_wp
6208	na2so4_hhso4 = 1.0_wp
6209	nano3_hhso4 = 1.0_wp
6210	nacl_hhso4 = 1.0_wp
6211	hno3_h2so4 = 1.0_wp
6212	hcl_h2so4 = 1.0_wp
6213	nh42so4_h2so4 = 1.0_wp
6214	nh4no3_h2so4 = 1.0_wp
6215	nh4cl_h2so4 = 1.0_wp
6216	na2so4_h2so4 = 1.0_wp
6217	nano3_h2so4 = 1.0_wp
6218	nacl_h2so4 = 1.0_wp
6219	!
6220	!-- New NH3 variables
6221	hno3_nh4hso4 = 1.0_wp
6222	hcl_nh4hso4 = 1.0_wp
6223	h2so4_nh4hso4 = 1.0_wp
6224	nh42so4_nh4hso4 = 1.0_wp
6225	nh4no3_nh4hso4 = 1.0_wp
6226	nh4cl_nh4hso4 = 1.0_wp
6227	na2so4_nh4hso4 = 1.0_wp
6228	nano3_nh4hso4 = 1.0_wp
6229	nacl_nh4hso4 = 1.0_wp
6230	!
6231	!-- Juha Tonttila added
6232	mols_out = 0.0_wp
6233	press_hno3 = 0.0_wp !< Initialising vapour pressures over the
6234	press_hcl = 0.0_wp !< multicomponent particle
6235	press_nh3 = 0.0_wp
6236	gamma_out = 1.0_wp !< i.e. don't alter the ideal mixing ratios if there's nothing there.
6237	!
6238	!-- 1) - COMPOSITION DEFINITIONS
6239	!
6240	!-- a) Inorganic ion pairing:
6241	!-- In order to calculate the water content, which is also used in calculating vapour pressures, one
6242	!-- needs to pair the anions and cations for use in the ZSR mixing rule. The equation provided by
6243	!-- Clegg et al. (2001) is used for ion pairing. The solutes chosen comprise of 9 inorganic salts
6244	!-- and acids which provide a pairing between each anion and cation: (NH4)2SO4, NH4NO3, NH4Cl,
6245	!-- Na2SO4, NaNO3, NaCl, H2SO4, HNO3, HCL. The organic compound is treated as a seperate solute.
6246	!-- Ions: 1: H+, 2: NH4+, 3: Na+, 4: SO4(2-), 5: HSO4-, 6: NO3-, 7: Cl-
6247	!
6248	charge_sum = ions(1) + ions(2) + ions(3) + 2.0_wp * ions(4) + ions(5) + ions(6) + ions(7)
6249	nitric_acid = ( 2.0_wp * ions(1) * ions(6) ) / charge_sum
6250	hydrochloric_acid = ( 2.0_wp * ions(1) * ions(7) ) / charge_sum
6251	sulphuric_acid = ( 2.0_wp * ions(1) * ions(4) ) / charge_sum
6252	ammonium_sulphate = ( 2.0_wp * ions(2) * ions(4) ) / charge_sum
6253	ammonium_nitrate = ( 2.0_wp * ions(2) * ions(6) ) / charge_sum
6254	ammonium_chloride = ( 2.0_wp * ions(2) * ions(7) ) / charge_sum
6255	sodium_sulphate = ( 2.0_wp * ions(3) * ions(4) ) / charge_sum
6256	sodium_nitrate = ( 2.0_wp * ions(3) * ions(6) ) / charge_sum
6257	sodium_chloride = ( 2.0_wp * ions(3) * ions(7) ) / charge_sum
6258	solutes = 0.0_wp
6259	solutes = 3.0_wp * sulphuric_acid + 2.0_wp * hydrochloric_acid + 2.0_wp * nitric_acid + &
6260	3.0_wp * ammonium_sulphate + 2.0_wp * ammonium_nitrate + 2.0_wp * ammonium_chloride +&
6261	3.0_wp * sodium_sulphate + 2.0_wp * sodium_nitrate + 2.0_wp * sodium_chloride
6262	!
6263	!-- b) Inorganic equivalent fractions:
6264	!-- These values are calculated so that activity coefficients can be expressed by a linear additive
6265	!-- rule, thus allowing more efficient calculations and future expansion (see more detailed
6266	!-- description below)
6267	nitric_acid_eq_frac = 2.0_wp * nitric_acid / solutes
6268	hydrochloric_acid_eq_frac = 2.0_wp * hydrochloric_acid / solutes
6269	sulphuric_acid_eq_frac = 3.0_wp * sulphuric_acid / solutes
6270	ammonium_sulphate_eq_frac = 3.0_wp * ammonium_sulphate / solutes
6271	ammonium_nitrate_eq_frac = 2.0_wp * ammonium_nitrate / solutes
6272	ammonium_chloride_eq_frac = 2.0_wp * ammonium_chloride / solutes
6273	sodium_sulphate_eq_frac = 3.0_wp * sodium_sulphate / solutes
6274	sodium_nitrate_eq_frac = 2.0_wp * sodium_nitrate / solutes
6275	sodium_chloride_eq_frac = 2.0_wp * sodium_chloride / solutes
6276	!
6277	!-- Inorganic ion molalities
6278	ions_mol(1) = ions(1) / ( water_total * 18.01528E-3_wp ) ! H+
6279	ions_mol(2) = ions(2) / ( water_total * 18.01528E-3_wp ) ! NH4+
6280	ions_mol(3) = ions(3) / ( water_total * 18.01528E-3_wp ) ! Na+
6281	ions_mol(4) = ions(4) / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6282	ions_mol(5) = ions(5) / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6283	ions_mol(6) = ions(6) / ( water_total * 18.01528E-3_wp ) ! NO3-
6284	ions_mol(7) = ions(7) / ( water_total * 18.01528E-3_wp ) ! Cl-
6285
6286	!-- ***
6287	!-- At this point we may need to introduce a method for prescribing H+ when there is no 'real' value
6288	!-- for H+..i.e. in the sulphate poor domain. This will give a value for solve quadratic proposed by
6289	!-- Zaveri et al. 2005
6290	!
6291	!-- 2) - WATER CALCULATION
6292	!
6293	!-- a) The water content is calculated using the ZSR rule with solute concentrations calculated
6294	!-- using 1a above. Whilst the usual approximation of ZSR relies on binary data consisting of 5th or
6295	!-- higher order polynomials, in this code 4 different RH regimes are used, each housing cubic
6296	!-- equations for the water associated with each solute listed above. Binary water contents for
6297	!-- inorganic components were calculated using AIM online (Clegg et al 1998). The water associated
6298	!-- with the organic compound is calculated assuming ideality and that aw = RH.
6299	!
6300	!-- b) Molality of each inorganic ion and organic solute (initial input) is calculated for use in
6301	!-- vapour pressure calculation.
6302	!
6303	!-- 3) - BISULPHATE ION DISSOCIATION CALCULATION
6304	!
6305	!-- The dissociation of the bisulphate ion is calculated explicitly. A solution to the equilibrium
6306	!-- equation between the bisulphate ion, hydrogen ion and sulphate ion is found using tabulated
6307	!-- equilibrium constants (referenced). It is necessary to calculate the activity coefficients of
6308	!-- HHSO4 and H2SO4 in a non-iterative manner. These are calculated using the same format as
6309	!-- described in 4) below, where both activity coefficients were fit to the output from ADDEM
6310	!-- (Topping et al 2005a,b) covering an extensive composition space, providing the activity
6311	!-- coefficients and bisulphate ion dissociation as a function of equivalent mole fractions and
6312	!-- relative humidity.
6313	!
6314	!-- NOTE: the flags "binary_case" and "full_complexity" are not used in this prototype. They are
6315	!-- used for simplification of the fit expressions when using limited composition regions. This
6316	!-- section of code calculates the bisulphate ion concentration.
6317	!
6318	IF ( ions(1) > 0.0_wp .AND. ions(4) > 0.0_wp ) THEN
6319	!
6320	!-- HHSO4:
6321	binary_case = 1
6322	IF ( rh > 0.1_wp .AND. rh < 0.9_wp ) THEN
6323	binary_hhso4 = -4.9521_wp * rh*3 + 9.2881_wp rh*2 - 10.777_wp rh + 6.0534_wp
6324	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.955_wp ) THEN
6325	binary_hhso4 = -6.3777_wp * rh + 5.962_wp
6326	ELSEIF ( rh >= 0.955_wp .AND. rh < 0.99_wp ) THEN
6327	binary_hhso4 = 2367.2_wp * rh*3 - 6849.7_wp rh*2 + 6600.9_wp rh - 2118.7_wp
6328	ELSEIF ( rh >= 0.99_wp .AND. rh < 0.9999_wp ) THEN
6329	binary_hhso4 = 3E-7_wp * rh*5 - 2E-5_wp rh*4 + 0.0004_wp rh*3 - 0.0035_wp rh**2 &
6330	+ 0.0123_wp * rh - 0.3025_wp
6331	ENDIF
6332
6333	IF ( nitric_acid > 0.0_wp ) THEN
6334	hno3_hhso4 = -4.2204_wp * rh*4 + 12.193_wp rh*3 - 12.481_wp rh*2 + 6.459_wp rh &
6335	- 1.9004_wp
6336	ENDIF
6337
6338	IF ( hydrochloric_acid > 0.0_wp ) THEN
6339	hcl_hhso4 = -54.845_wp * rh*7 + 209.54_wp rh*6 - 336.59_wp rh*5 + 294.21_wp &
6340	rh*4 - 150.07_wp rh*3 + 43.767_wp rh*2 - 6.5495_wp rh + 0.60048_wp
6341	ENDIF
6342
6343	IF ( ammonium_sulphate > 0.0_wp ) THEN
6344	nh42so4_hhso4 = 16.768_wp * rh*3 - 28.75_wp rh*2 + 20.011_wp rh - 8.3206_wp
6345	ENDIF
6346
6347	IF ( ammonium_nitrate > 0.0_wp ) THEN
6348	nh4no3_hhso4 = -17.184_wp * rh*4 + 56.834_wp rh*3 - 65.765_wp rh**2 + &
6349	35.321_wp * rh - 9.252_wp
6350	ENDIF
6351
6352	IF (ammonium_chloride > 0.0_wp ) THEN
6353	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6354	nh4cl_hhso4 = 3.2809_wp * rh - 2.0637_wp
6355	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6356	nh4cl_hhso4 = -1.2981_wp * rh*3 + 4.7461_wp rh*2 - 2.3269_wp rh - 1.1259_wp
6357	ENDIF
6358	ENDIF
6359
6360	IF ( sodium_sulphate > 0.0_wp ) THEN
6361	na2so4_hhso4 = 118.87_wp * rh*6 - 358.63_wp rh*5 + 435.85_wp rh*4 - 272.88_wp &
6362	rh*3 + 94.411_wp rh*2 - 18.21_wp rh + 0.45935_wp
6363	ENDIF
6364
6365	IF ( sodium_nitrate > 0.0_wp ) THEN
6366	IF ( rh < 0.2_wp .AND. rh >= 0.1_wp ) THEN
6367	nano3_hhso4 = 4.8456_wp * rh - 2.5773_wp
6368	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6369	nano3_hhso4 = 0.5964_wp * rh*3 - 0.38967_wp rh*2 + 1.7918_wp rh - 1.9691_wp
6370	ENDIF
6371	ENDIF
6372
6373	IF ( sodium_chloride > 0.0_wp ) THEN
6374	IF ( rh < 0.2_wp ) THEN
6375	nacl_hhso4 = 0.51995_wp * rh - 1.3981_wp
6376	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.99_wp ) THEN
6377	nacl_hhso4 = 1.6539_wp * rh - 1.6101_wp
6378	ENDIF
6379	ENDIF
6380
6381	ln_hhso4_act = binary_hhso4 + nitric_acid_eq_frac * hno3_hhso4 + &
6382	hydrochloric_acid_eq_frac * hcl_hhso4 + &
6383	ammonium_sulphate_eq_frac * nh42so4_hhso4 + &
6384	ammonium_nitrate_eq_frac * nh4no3_hhso4 + &
6385	ammonium_chloride_eq_frac * nh4cl_hhso4 + &
6386	sodium_sulphate_eq_frac * na2so4_hhso4 + &
6387	sodium_nitrate_eq_frac * nano3_hhso4 + sodium_chloride_eq_frac * nacl_hhso4
6388
6389	gamma_hhso4 = EXP( ln_hhso4_act ) ! molal activity coefficient of HHSO4
6390
6391	!-- H2SO4 (sulphuric acid):
6392	IF ( rh >= 0.1_wp .AND. rh < 0.9_wp ) THEN
6393	binary_h2so4 = 2.4493_wp * rh*2 - 6.2326_wp rh + 2.1763_wp
6394	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.98 ) THEN
6395	binary_h2so4 = 914.68_wp * rh*3 - 2502.3_wp rh*2 + 2281.9_wp rh - 695.11_wp
6396	ELSEIF ( rh >= 0.98 .AND. rh < 0.9999 ) THEN
6397	binary_h2so4 = 3.0E-8_wp * rh*4 - 5E-6_wp rh*3 + 0.0003_wp rh*2 - 0.0022_wp &
6398	rh - 1.1305_wp
6399	ENDIF
6400
6401	IF ( nitric_acid > 0.0_wp ) THEN
6402	hno3_h2so4 = - 16.382_wp * rh*5 + 46.677_wp rh*4 - 54.149_wp rh*3 + 34.36_wp &
6403	rh*2 - 12.54_wp rh + 2.1368_wp
6404	ENDIF
6405
6406	IF ( hydrochloric_acid > 0.0_wp ) THEN
6407	hcl_h2so4 = - 14.409_wp * rh*5 + 42.804_wp rh*4 - 47.24_wp rh*3 + 24.668_wp &
6408	rh*2 - 5.8015_wp rh + 0.084627_wp
6409	ENDIF
6410
6411	IF ( ammonium_sulphate > 0.0_wp ) THEN
6412	nh42so4_h2so4 = 66.71_wp * rh*5 - 187.5_wp rh*4 + 210.57_wp rh*3 - 121.04_wp &
6413	rh*2 + 39.182_wp rh - 8.0606_wp
6414	ENDIF
6415
6416	IF ( ammonium_nitrate > 0.0_wp ) THEN
6417	nh4no3_h2so4 = - 22.532_wp * rh*4 + 66.615_wp rh*3 - 74.647_wp rh*2 + 37.638_wp &
6418	rh - 6.9711_wp
6419	ENDIF
6420
6421	IF ( ammonium_chloride > 0.0_wp ) THEN
6422	IF ( rh >= 0.1_wp .AND. rh < 0.2_wp ) THEN
6423	nh4cl_h2so4 = - 0.32089_wp * rh + 0.57738_wp
6424	ELSEIF ( rh >= 0.2_wp .AND. rh < 0.9_wp ) THEN
6425	nh4cl_h2so4 = 18.089_wp * rh*5 - 51.083_wp rh*4 + 50.32_wp rh*3 - 17.012_wp &
6426	rh*2 - 0.93435_wp rh + 1.0548_wp
6427	ELSEIF ( rh >= 0.9_wp .AND. rh < 0.99_wp ) THEN
6428	nh4cl_h2so4 = - 1.5749_wp * rh + 1.7002_wp
6429	ENDIF
6430	ENDIF
6431
6432	IF ( sodium_sulphate > 0.0_wp ) THEN
6433	na2so4_h2so4 = 29.843_wp * rh*4 - 69.417_wp rh*3 + 61.507_wp rh*2 - 29.874_wp &
6434	rh + 7.7556_wp
6435	ENDIF
6436
6437	IF ( sodium_nitrate > 0.0_wp ) THEN
6438	nano3_h2so4 = - 122.37_wp * rh*6 + 427.43_wp rh*5 - 604.68_wp rh*4 + 443.08_wp &
6439	rh*3 - 178.61_wp rh*2 + 37.242_wp rh - 1.9564_wp
6440	ENDIF
6441
6442	IF ( sodium_chloride > 0.0_wp ) THEN
6443	nacl_h2so4 = - 40.288_wp * rh*5 + 115.61_wp rh*4 - 129.99_wp rh*3 + 72.652_wp &
6444	rh*2 - 22.124_wp rh + 4.2676_wp
6445	ENDIF
6446
6447	ln_h2so4_act = binary_h2so4 + nitric_acid_eq_frac * hno3_h2so4 + &
6448	hydrochloric_acid_eq_frac * hcl_h2so4 + &
6449	ammonium_sulphate_eq_frac * nh42so4_h2so4 + &
6450	ammonium_nitrate_eq_frac * nh4no3_h2so4 + &
6451	ammonium_chloride_eq_frac * nh4cl_h2so4 + &
6452	sodium_sulphate_eq_frac * na2so4_h2so4 + &
6453	sodium_nitrate_eq_frac * nano3_h2so4 + sodium_chloride_eq_frac * nacl_h2so4
6454
6455	gamma_h2so4 = EXP( ln_h2so4_act ) ! molal activity coefficient
6456	!
6457	!-- Export activity coefficients
6458	IF ( gamma_h2so4 > 1.0E-10_wp ) THEN
6459	gamma_out(4) = gamma_hhso4**2 / gamma_h2so4
6460	ENDIF
6461	IF ( gamma_hhso4 > 1.0E-10_wp ) THEN
6462	gamma_out(5) = gamma_h2so43 / gamma_hhso42
6463	ENDIF
6464	!
6465	!-- Ionic activity coefficient product
6466	act_product = gamma_h2so43 / gamma_hhso42
6467	!
6468	!-- Solve the quadratic equation (i.e. x in ax**2 + bx + c = 0)
6469	a = 1.0_wp
6470	b = -1.0_wp * ( ions(4) + ions(1) + ( ( water_total * 18.0E-3_wp ) / &
6471	( 99.0_wp * act_product ) ) )
6472	c = ions(4) * ions(1)
6473	root1 = ( ( -1.0_wp * b ) + ( ( ( b*2 ) - 4.0_wp a * c )*0.5_wp ) ) / ( 2.0_wp a )
6474	root2 = ( ( -1.0_wp * b ) - ( ( ( b*2 ) - 4.0_wp a * c) *0.5_wp ) ) / ( 2.0_wp a )
6475
6476	IF ( root1 > ions(1) .OR. root1 < 0.0_wp ) THEN
6477	root1 = 0.0_wp
6478	ENDIF
6479
6480	IF ( root2 > ions(1) .OR. root2 < 0.0_wp ) THEN
6481	root2 = 0.0_wp
6482	ENDIF
6483	!
6484	!-- Calculate the new hydrogen ion, bisulphate ion and sulphate ion
6485	!-- concentration
6486	h_real = ions(1)
6487	so4_real = ions(4)
6488	hso4_real = MAX( root1, root2 )
6489	h_real = ions(1) - hso4_real
6490	so4_real = ions(4) - hso4_real
6491	!
6492	!-- Recalculate ion molalities
6493	ions_mol(1) = h_real / ( water_total * 18.01528E-3_wp ) ! H+
6494	ions_mol(4) = so4_real / ( water_total * 18.01528E-3_wp ) ! SO4(2-)
6495	ions_mol(5) = hso4_real / ( water_total * 18.01528E-3_wp ) ! HSO4(2-)
6496
6497	h_out = h_real
6498	hso4_out = hso4_real
6499	so4_out = so4_real
6500
6501	ELSE
6502	h_out = ions(1)
6503	hso4_out = 0.0_wp
6504	so4_out = ions(4)
6505	ENDIF
6506
6507	!
6508	!-- 4) ACTIVITY COEFFICIENTS -for vapour pressures of HNO3,HCL and NH3
6509	!
6510	!-- This section evaluates activity coefficients and vapour pressures using the water content
6511	!-- calculated above) for each inorganic condensing species: a - HNO3, b - NH3, c - HCL.
6512	!-- The following procedure is used: Zaveri et al (2005) found that one could express the variation
6513	!-- of activity coefficients linearly in log-space if equivalent mole fractions were used.
6514	!-- So, by a taylor series expansion LOG( activity coefficient ) =
6515	!-- LOG( binary activity coefficient at a given RH ) +
6516	!-- (equivalent mole fraction compound A) *
6517	!-- ('interaction' parameter between A and condensing species) +
6518	!-- equivalent mole fraction compound B) *
6519	!-- ('interaction' parameter between B and condensing species).
6520	!-- Here, the interaction parameters have been fit to ADDEM by searching the whole compositon space
6521	!-- and fit usign the Levenberg-Marquardt non-linear least squares algorithm.
6522	!
6523	!-- They are given as a function of RH and vary with complexity ranging from linear to 5th order
6524	!-- polynomial expressions, the binary activity coefficients were calculated using AIM online.
6525	!-- NOTE: for NH3, no binary activity coefficient was used and the data were fit to the ratio of the
6526	!-- activity coefficients for the ammonium and hydrogen ions. Once the activity coefficients are
6527	!-- obtained the vapour pressure can be easily calculated using tabulated equilibrium constants
6528	!-- (referenced). This procedure differs from that of Zaveri et al (2005) in that it is not assumed
6529	!-- one can carry behaviour from binary mixtures in multicomponent systems. To this end we have fit
6530	!-- the 'interaction' parameters explicitly to a general inorganic equilibrium model
6531	!-- (ADDEM - Topping et al. 2005a,b). Such parameters take into account bisulphate ion dissociation
6532	!-- and water content. This also allows us to consider one regime for all composition space, rather
6533	!-- than defining sulphate rich and sulphate poor regimes.
6534	!-- NOTE: The flags "binary_case" and "full_complexity" are not used in this prototype. They are
6535	!-- used for simplification of the fit expressions when using limited composition regions.
6536	!
6537	!-- a) - ACTIVITY COEFF/VAPOUR PRESSURE - HNO3
6538	IF ( ions(1) > 0.0_wp .AND. ions(6) > 0.0_wp ) THEN
6539	binary_case = 1
6540	IF ( rh > 0.1_wp .AND. rh < 0.98_wp ) THEN
6541	IF ( binary_case == 1 ) THEN
6542	binary_hno3 = 1.8514_wp * rh*3 - 4.6991_wp rh*2 + 1.5514_wp rh + 0.90236_wp
6543	ELSEIF ( binary_case == 2 ) THEN
6544	binary_hno3 = - 1.1751_wp * ( rh*2 ) - 0.53794_wp rh + 1.2808_wp
6545	ENDIF
6546	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
6547	binary_hno3 = 1244.69635941351_wp * rh*3 - 2613.93941099991_wp rh**2 + &
6548	1525.0684974546_wp * rh -155.946764059316_wp
6549	ENDIF
6550	!
6551	!-- Contributions from other solutes
6552	full_complexity = 1
6553	IF ( hydrochloric_acid > 0.0_wp ) THEN ! HCL
6554	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6555	hcl_hno3 = 16.051_wp * rh*4 - 44.357_wp rh*3 + 45.141_wp rh*2 - 21.638_wp &
6556	rh + 4.8182_wp
6557	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6558	hcl_hno3 = - 1.5833_wp * rh + 1.5569_wp
6559	ENDIF
6560	ENDIF
6561
6562	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
6563	IF ( full_complexity == 1 .OR. rh < 0.4_wp ) THEN
6564	h2so4_hno3 = - 3.0849_wp * rh*3 + 5.9609_wp rh*2 - 4.468_wp rh + 1.5658_wp
6565	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6566	h2so4_hno3 = - 0.93473_wp * rh + 0.9363_wp
6567	ENDIF
6568	ENDIF
6569
6570	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
6571	nh42so4_hno3 = 16.821_wp * rh*3 - 28.391_wp rh*2 + 18.133_wp rh - 6.7356_wp
6572	ENDIF
6573
6574	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
6575	nh4no3_hno3 = 11.01_wp * rh*3 - 21.578_wp rh*2 + 14.808_wp rh - 4.2593_wp
6576	ENDIF
6577
6578	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
6579	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6580	nh4cl_hno3 = - 1.176_wp * rh*3 + 5.0828_wp rh*2 - 3.8792_wp rh - 0.05518_wp
6581	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6582	nh4cl_hno3 = 2.6219_wp * rh*2 - 2.2609_wp rh - 0.38436_wp
6583	ENDIF
6584	ENDIF
6585
6586	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
6587	na2so4_hno3 = 35.504_wp * rh*4 - 80.101_wp rh*3 + 67.326_wp rh*2 - 28.461_wp &
6588	rh + 5.6016_wp
6589	ENDIF
6590
6591	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
6592	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6593	nano3_hno3 = 23.659_wp * rh*5 - 66.917_wp rh*4 + 74.686_wp rh*3 - 40.795_wp &
6594	rh*2 + 10.831_wp rh - 1.4701_wp
6595	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6596	nano3_hno3 = 14.749_wp * rh*4 - 35.237_wp rh*3 + 31.196_wp rh*2 - 12.076_wp &
6597	rh + 1.3605_wp
6598	ENDIF
6599	ENDIF
6600
6601	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
6602	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6603	nacl_hno3 = 13.682_wp * rh*4 - 35.122_wp rh*3 + 33.397_wp rh*2 - 14.586_wp &
6604	rh + 2.6276_wp
6605	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6606	nacl_hno3 = 1.1882_wp * rh*3 - 1.1037_wp rh*2 - 0.7642_wp rh + 0.6671_wp
6607	ENDIF
6608	ENDIF
6609
6610	ln_hno3_act = binary_hno3 + hydrochloric_acid_eq_frac * hcl_hno3 + &
6611	sulphuric_acid_eq_frac * h2so4_hno3 + &
6612	ammonium_sulphate_eq_frac * nh42so4_hno3 + &
6613	ammonium_nitrate_eq_frac * nh4no3_hno3 + &
6614	ammonium_chloride_eq_frac * nh4cl_hno3 + &
6615	sodium_sulphate_eq_frac * na2so4_hno3 + &
6616	sodium_nitrate_eq_frac * nano3_hno3 + sodium_chloride_eq_frac * nacl_hno3
6617
6618	gamma_hno3 = EXP( ln_hno3_act ) ! Molal activity coefficient of HNO3
6619	gamma_out(1) = gamma_hno3
6620	!
6621	!-- Partial pressure calculation
6622	!-- k_hno3 = 2.51 * ( 10**6 )
6623	!-- k_hno3 = 2.628145923d6 !< calculated by AIM online (Clegg et al 1998) after Chameides (1984)
6624	k_hno3 = 2.6E6_wp * EXP( 8700.0_wp * henrys_temp_dep )
6625	press_hno3 = ( ions_mol(1) * ions_mol(6) * ( gamma_hno3**2 ) ) / k_hno3
6626	ENDIF
6627	!
6628	!-- b) - ACTIVITY COEFF/VAPOUR PRESSURE - NH3
6629	!-- Follow the two solute approach of Zaveri et al. (2005)
6630	IF ( ions(2) > 0.0_wp .AND. ions_mol(1) > 0.0_wp ) THEN
6631	!
6632	!-- NH4HSO4:
6633	binary_nh4hso4 = 56.907_wp * rh*6 - 155.32_wp rh*5 + 142.94_wp rh*4 - 32.298_wp &
6634	rh*3 - 27.936_wp rh*2 + 19.502_wp rh - 4.2618_wp
6635	IF ( nitric_acid > 0.0_wp) THEN ! HNO3
6636	hno3_nh4hso4 = 104.8369_wp * rh*8 - 288.8923_wp rh*7 + 129.3445_wp rh**6 + &
6637	373.0471_wp * rh*5 - 571.0385_wp rh*4 + 326.3528_wp rh**3 - &
6638	74.169_wp * rh*2 - 2.4999_wp rh + 3.17_wp
6639	ENDIF
6640
6641	IF ( hydrochloric_acid > 0.0_wp) THEN ! HCL
6642	hcl_nh4hso4 = - 7.9133_wp * rh*8 + 126.6648_wp rh*7 - 460.7425_wp rh**6 + &
6643	731.606_wp * rh*5 - 582.7467_wp rh*4 + 216.7197_wp rh**3 - &
6644	11.3934_wp * rh*2 - 17.7728_wp rh + 5.75_wp
6645	ENDIF
6646
6647	IF ( sulphuric_acid > 0.0_wp) THEN ! H2SO4
6648	h2so4_nh4hso4 = 195.981_wp * rh*8 - 779.2067_wp rh*7 + 1226.3647_wp rh**6 - &
6649	964.0261_wp * rh*5 + 391.7911_wp rh*4 - 84.1409_wp rh**3 + &
6650	20.0602_wp * rh*2 - 10.2663_wp rh + 3.5817_wp
6651	ENDIF
6652
6653	IF ( ammonium_sulphate > 0.0_wp) THEN ! NH42SO4
6654	nh42so4_nh4hso4 = 617.777_wp * rh*8 - 2547.427_wp rh*7 + 4361.6009_wp rh**6 - &
6655	4003.162_wp * rh*5 + 2117.8281_wp rh*4 - 640.0678_wp rh**3 + &
6656	98.0902_wp * rh*2 - 2.2615_wp rh - 2.3811_wp
6657	ENDIF
6658
6659	IF ( ammonium_nitrate > 0.0_wp) THEN ! NH4NO3
6660	nh4no3_nh4hso4 = - 104.4504_wp * rh*8 + 539.5921_wp rh*7 - 1157.0498_wp rh**6 + &
6661	1322.4507_wp * rh*5 - 852.2475_wp rh*4 + 298.3734_wp rh**3 - &
6662	47.0309_wp * rh*2 + 1.297_wp rh - 0.8029_wp
6663	ENDIF
6664
6665	IF ( ammonium_chloride > 0.0_wp) THEN ! NH4Cl
6666	nh4cl_nh4hso4 = 258.1792_wp * rh*8 - 1019.3777_wp rh*7 + 1592.8918_wp rh**6 - &
6667	1221.0726_wp * rh*5 + 442.2548_wp rh*4 - 43.6278_wp rh**3 - &
6668	7.5282_wp * rh*2 - 3.8459_wp rh + 2.2728_wp
6669	ENDIF
6670
6671	IF ( sodium_sulphate > 0.0_wp) THEN ! Na2SO4
6672	na2so4_nh4hso4 = 225.4238_wp * rh*8 - 732.4113_wp rh*7 + 843.7291_wp rh**6 - &
6673	322.7328_wp * rh*5 - 88.6252_wp rh*4 + 72.4434_wp rh**3 + &
6674	22.9252_wp * rh*2 - 25.3954_wp rh + 4.6971_wp
6675	ENDIF
6676
6677	IF ( sodium_nitrate > 0.0_wp) THEN ! NaNO3
6678	nano3_nh4hso4 = 96.1348_wp * rh*8 - 341.6738_wp rh*7 + 406.5314_wp rh**6 - &
6679	98.5777_wp * rh*5 - 172.8286_wp rh*4 + 149.3151_wp rh**3 - &
6680	38.9998_wp * rh*2 - 0.2251_wp rh + 0.4953_wp
6681	ENDIF
6682
6683	IF ( sodium_chloride > 0.0_wp) THEN ! NaCl
6684	nacl_nh4hso4 = 91.7856_wp * rh*8 - 316.6773_wp rh*7 + 358.2703_wp rh**6 - &
6685	68.9142_wp * rh*5 - 156.5031_wp rh*4 + 116.9592_wp rh**3 - &
6686	22.5271_wp * rh*2 - 3.7716_wp rh + 1.56_wp
6687	ENDIF
6688
6689	ln_nh4hso4_act = binary_nh4hso4 + nitric_acid_eq_frac * hno3_nh4hso4 + &
6690	hydrochloric_acid_eq_frac * hcl_nh4hso4 + &
6691	sulphuric_acid_eq_frac * h2so4_nh4hso4 + &
6692	ammonium_sulphate_eq_frac * nh42so4_nh4hso4 + &
6693	ammonium_nitrate_eq_frac * nh4no3_nh4hso4 + &
6694	ammonium_chloride_eq_frac * nh4cl_nh4hso4 + &
6695	sodium_sulphate_eq_frac * na2so4_nh4hso4 + &
6696	sodium_nitrate_eq_frac * nano3_nh4hso4 + &
6697	sodium_chloride_eq_frac * nacl_nh4hso4
6698
6699	gamma_nh4hso4 = EXP( ln_nh4hso4_act ) ! molal act. coefficient of NH4HSO4
6700	!
6701	!-- Molal activity coefficient of NO3-
6702	gamma_out(6) = gamma_nh4hso4
6703	!
6704	!-- Molal activity coefficient of NH4+
6705	gamma_nh3 = gamma_nh4hso42 / gamma_hhso42
6706	gamma_out(3) = gamma_nh3
6707	!
6708	!-- This actually represents the ratio of the ammonium to hydrogen ion activity coefficients
6709	!-- (see Zaveri paper) - multiply this by the ratio of the ammonium to hydrogen ion molality and
6710	!-- the ratio of appropriate equilibrium constants
6711	!
6712	!-- Equilibrium constants
6713	!-- k_h = 57.64d0 ! Zaveri et al. (2005)
6714	k_h = 5.8E1_wp * EXP( 4085.0_wp * henrys_temp_dep ) ! after Chameides (1984)
6715	!-- k_nh4 = 1.81E-5_wp ! Zaveri et al. (2005)
6716	k_nh4 = 1.7E-5_wp * EXP( -4325.0_wp * henrys_temp_dep ) ! Chameides (1984)
6717	!-- k_h2o = 1.01E-14_wp ! Zaveri et al (2005)
6718	k_h2o = 1.E-14_wp * EXP( -6716.0_wp * henrys_temp_dep ) ! Chameides (1984)
6719	!
6720	molality_ratio_nh3 = ions_mol(2) / ions_mol(1)
6721	!
6722	!-- Partial pressure calculation
6723	press_nh3 = molality_ratio_nh3 * gamma_nh3 * ( k_h2o / ( k_h * k_nh4 ) )
6724
6725	ENDIF
6726	!
6727	!-- c) - ACTIVITY COEFF/VAPOUR PRESSURE - HCL
6728	IF ( ions(1) > 0.0_wp .AND. ions(7) > 0.0_wp ) THEN
6729	binary_case = 1
6730	IF ( rh > 0.1_wp .AND. rh < 0.98 ) THEN
6731	IF ( binary_case == 1 ) THEN
6732	binary_hcl = - 5.0179_wp * rh*3 + 9.8816_wp rh*2 - 10.789_wp rh + 5.4737_wp
6733	ELSEIF ( binary_case == 2 ) THEN
6734	binary_hcl = - 4.6221_wp * rh + 4.2633_wp
6735	ENDIF
6736	ELSEIF ( rh >= 0.98_wp .AND. rh < 0.9999_wp ) THEN
6737	binary_hcl = 775.6111008626_wp * rh*3 - 2146.01320888771_wp rh**2 + &
6738	1969.01979670259_wp * rh - 598.878230033926_wp
6739	ENDIF
6740	ENDIF
6741
6742	IF ( nitric_acid > 0.0_wp ) THEN ! HNO3
6743	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6744	hno3_hcl = 9.6256_wp * rh*4 - 26.507_wp rh*3 + 27.622_wp rh*2 - 12.958_wp rh + &
6745	2.2193_wp
6746	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6747	hno3_hcl = 1.3242_wp * rh*2 - 1.8827_wp rh + 0.55706_wp
6748	ENDIF
6749	ENDIF
6750
6751	IF ( sulphuric_acid > 0.0_wp ) THEN ! H2SO4
6752	IF ( full_complexity == 1 .OR. rh <= 0.4 ) THEN
6753	h2so4_hcl = 1.4406_wp * rh*3 - 2.7132_wp rh*2 + 1.014_wp rh + 0.25226_wp
6754	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6755	h2so4_hcl = 0.30993_wp * rh*2 - 0.99171_wp rh + 0.66913_wp
6756	ENDIF
6757	ENDIF
6758
6759	IF ( ammonium_sulphate > 0.0_wp ) THEN ! NH42SO4
6760	nh42so4_hcl = 22.071_wp * rh*3 - 40.678_wp rh*2 + 27.893_wp rh - 9.4338_wp
6761	ENDIF
6762
6763	IF ( ammonium_nitrate > 0.0_wp ) THEN ! NH4NO3
6764	nh4no3_hcl = 19.935_wp * rh*3 - 42.335_wp rh*2 + 31.275_wp rh - 8.8675_wp
6765	ENDIF
6766
6767	IF ( ammonium_chloride > 0.0_wp ) THEN ! NH4Cl
6768	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6769	nh4cl_hcl = 2.8048_wp * rh*3 - 4.3182_wp rh*2 + 3.1971_wp rh - 1.6824_wp
6770	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6771	nh4cl_hcl = 1.2304_wp * rh*2 - 0.18262_wp rh - 1.0643_wp
6772	ENDIF
6773	ENDIF
6774
6775	IF ( sodium_sulphate > 0.0_wp ) THEN ! Na2SO4
6776	na2so4_hcl = 36.104_wp * rh*4 - 78.658_wp rh*3 + 63.441_wp rh*2 - 26.727_wp rh + &
6777	5.7007_wp
6778	ENDIF
6779
6780	IF ( sodium_nitrate > 0.0_wp ) THEN ! NaNO3
6781	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6782	nano3_hcl = 54.471_wp * rh*5 - 159.42_wp rh*4 + 180.25_wp rh*3 - 98.176_wp rh**2&
6783	+ 25.309_wp * rh - 2.4275_wp
6784	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6785	nano3_hcl = 21.632_wp * rh*4 - 53.088_wp rh*3 + 47.285_wp rh*2 - 18.519_wp rh &
6786	+ 2.6846_wp
6787	ENDIF
6788	ENDIF
6789
6790	IF ( sodium_chloride > 0.0_wp ) THEN ! NaCl
6791	IF ( full_complexity == 1 .OR. rh <= 0.4_wp ) THEN
6792	nacl_hcl = 5.4138_wp * rh*4 - 12.079_wp rh*3 + 9.627_wp rh*2 - 3.3164_wp rh + &
6793	0.35224_wp
6794	ELSEIF ( full_complexity == 0 .AND. rh > 0.4_wp ) THEN
6795	nacl_hcl = 2.432_wp * rh*3 - 4.3453_wp rh*2 + 2.3834_wp rh - 0.4762_wp
6796	ENDIF
6797	ENDIF
6798
6799	ln_HCL_act = binary_hcl + nitric_acid_eq_frac * hno3_hcl + sulphuric_acid_eq_frac * h2so4_hcl +&
6800	ammonium_sulphate_eq_frac * nh42so4_hcl + ammonium_nitrate_eq_frac * nh4no3_hcl + &
6801	ammonium_chloride_eq_frac * nh4cl_hcl + sodium_sulphate_eq_frac * na2so4_hcl + &
6802	sodium_nitrate_eq_frac * nano3_hcl + sodium_chloride_eq_frac * nacl_hcl
6803
6804	gamma_hcl = EXP( ln_HCL_act ) ! Molal activity coefficient
6805	gamma_out(2) = gamma_hcl
6806	!
6807	!-- Equilibrium constant after Wagman et al. (1982) (and NIST database)
6808	k_hcl = 2E6_wp * EXP( 9000.0_wp * henrys_temp_dep )
6809
6810	press_hcl = ( ions_mol(1) * ions_mol(7) * gamma_hcl**2 ) / k_hcl
6811	!
6812	!-- 5) Ion molility output
6813	mols_out = ions_mol
6814
6815	END SUBROUTINE inorganic_pdfite
6816
6817	!------------------------------------------------------------------------------!
6818	! Description:
6819	! ------------
6820	!> Update the particle size distribution. Put particles into corrects bins.
6821	!>
6822	!> Moving-centre method assumed, i.e. particles are allowed to grow to their
6823	!> exact size as long as they are not crossing the fixed diameter bin limits.
6824	!> If the particles in a size bin cross the lower or upper diameter limit, they
6825	!> are all moved to the adjacent diameter bin and their volume is averaged with
6826	!> the particles in the new bin, which then get a new diameter.
6827	!
6828	!> Moving-centre method minimises numerical diffusion.
6829	!------------------------------------------------------------------------------!
6830	SUBROUTINE distr_update( paero )
6831
6832	IMPLICIT NONE
6833
6834	INTEGER(iwp) :: ib !< loop index
6835	INTEGER(iwp) :: mm !< loop index
6836	INTEGER(iwp) :: counti !< number of while loops
6837
6838	LOGICAL :: within_bins !< logical (particle belongs to the bin?)
6839
6840	REAL(wp) :: znfrac !< number fraction to be moved to the larger bin
6841	REAL(wp) :: zvfrac !< volume fraction to be moved to the larger bin
6842	REAL(wp) :: zVexc !< Volume in the grown bin which exceeds the bin upper limit
6843	REAL(wp) :: zVihi !< particle volume at the high end of the bin
6844	REAL(wp) :: zVilo !< particle volume at the low end of the bin
6845	REAL(wp) :: zvpart !< particle volume (m3)
6846	REAL(wp) :: zVrat !< volume ratio of a size bin
6847
6848	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
6849
6850	zvpart = 0.0_wp
6851	zvfrac = 0.0_wp
6852	within_bins = .FALSE.
6853	!
6854	!-- Check if the volume of the bin is within bin limits after update
6855	counti = 0
6856	DO WHILE ( .NOT. within_bins )
6857	within_bins = .TRUE.
6858	!
6859	!-- Loop from larger to smaller size bins
6860	DO ib = end_subrange_2b-1, start_subrange_1a, -1
6861	mm = 0
6862	IF ( paero(ib)%numc > nclim ) THEN
6863	zvpart = 0.0_wp
6864	zvfrac = 0.0_wp
6865
6866	IF ( ib == end_subrange_2a ) CYCLE
6867	!
6868	!-- Dry volume
6869	zvpart = SUM( paero(ib)%volc(1:7) ) / paero(ib)%numc
6870	!
6871	!-- Smallest bin cannot decrease
6872	IF ( paero(ib)%vlolim > zvpart .AND. ib == start_subrange_1a ) CYCLE
6873	!
6874	!-- Decreasing bins
6875	IF ( paero(ib)%vlolim > zvpart ) THEN
6876	mm = ib - 1
6877	IF ( ib == start_subrange_2b ) mm = end_subrange_1a ! 2b goes to 1a
6878
6879	paero(mm)%numc = paero(mm)%numc + paero(ib)%numc
6880	paero(ib)%numc = 0.0_wp
6881	paero(mm)%volc(:) = paero(mm)%volc(:) + paero(ib)%volc(:)
6882	paero(ib)%volc(:) = 0.0_wp
6883	CYCLE
6884	ENDIF
6885	!
6886	!-- If size bin has not grown, cycle.
6887	!-- Changed by Mona: compare to the arithmetic mean volume, as done originally. Now
6888	!-- particle volume is derived from the geometric mean diameter, not arithmetic (see
6889	!-- SUBROUTINE set_sizebins).
6890	IF ( zvpart <= api6 * ( ( aero(ib)%vhilim + aero(ib)%vlolim ) / ( 2.0_wp * api6 ) ) ) &
6891	CYCLE
6892	!
6893	!-- Avoid precision problems
6894	IF ( ABS( zvpart - api6 * paero(ib)%dmid**3 ) < 1.0E-35_wp ) CYCLE
6895	!
6896	!-- Volume ratio of the size bin
6897	zVrat = paero(ib)%vhilim / paero(ib)%vlolim
6898	!
6899	!-- Particle volume at the low end of the bin
6900	zVilo = 2.0_wp * zvpart / ( 1.0_wp + zVrat )
6901	!
6902	!-- Particle volume at the high end of the bin
6903	zVihi = zVrat * zVilo
6904	!
6905	!-- Volume in the grown bin which exceeds the bin upper limit
6906	zVexc = 0.5_wp * ( zVihi + paero(ib)%vhilim )
6907	!
6908	!-- Number fraction to be moved to the larger bin
6909	znfrac = MIN( 1.0_wp, ( zVihi - paero(ib)%vhilim) / ( zVihi - zVilo ) )
6910	!
6911	!-- Volume fraction to be moved to the larger bin
6912	zvfrac = MIN( 0.99_wp, znfrac * zVexc / zvpart )
6913	IF ( zvfrac < 0.0_wp ) THEN
6914	message_string = 'Error: zvfrac < 0'
6915	CALL message( 'salsa_mod: distr_update', 'PA0624', 1, 2, 0, 6, 0 )
6916	ENDIF
6917	!
6918	!-- Update bin
6919	mm = ib + 1
6920	!
6921	!-- Volume (cm3/cm3)
6922	paero(mm)%volc(:) = paero(mm)%volc(:) + znfrac * paero(ib)%numc * zVexc * &
6923	paero(ib)%volc(:) / SUM( paero(ib)%volc(:) )
6924	paero(ib)%volc(:) = paero(ib)%volc(:) - znfrac * paero(ib)%numc * zVexc * &
6925	paero(ib)%volc(:) / SUM( paero(ib)%volc(:) )
6926
6927	!-- Number concentration (#/m3)
6928	paero(mm)%numc = paero(mm)%numc + znfrac * paero(ib)%numc
6929	paero(ib)%numc = paero(ib)%numc * ( 1.0_wp - znfrac )
6930
6931	ENDIF ! nclim
6932
6933	IF ( paero(ib)%numc > nclim ) THEN
6934	zvpart = SUM( paero(ib)%volc(:) ) / paero(ib)%numc
6935	within_bins = ( paero(ib)%vlolim < zvpart .AND. zvpart < paero(ib)%vhilim )
6936	ENDIF
6937
6938	ENDDO ! - ib
6939
6940	counti = counti + 1
6941	IF ( counti > 100 ) THEN
6942	message_string = 'Error: Aerosol bin update not converged'
6943	CALL message( 'salsa_mod: distr_update', 'PA0625', 1, 2, 0, 6, 0 )
6944	ENDIF
6945
6946	ENDDO ! - within bins
6947
6948	END SUBROUTINE distr_update
6949
6950	!------------------------------------------------------------------------------!
6951	! Description:
6952	! ------------
6953	!> salsa_diagnostics: Update properties for the current timestep:
6954	!>
6955	!> Juha Tonttila, FMI, 2014
6956	!> Tomi Raatikainen, FMI, 2016
6957	!------------------------------------------------------------------------------!
6958	SUBROUTINE salsa_diagnostics( i, j )
6959
6960	USE cpulog, &
6961	ONLY: cpu_log, log_point_s
6962
6963	IMPLICIT NONE
6964
6965	INTEGER(iwp) :: ib !<
6966	INTEGER(iwp) :: ic !<
6967	INTEGER(iwp) :: icc !<
6968	INTEGER(iwp) :: ig !<
6969	INTEGER(iwp) :: k !<
6970
6971	INTEGER(iwp), INTENT(in) :: i !<
6972	INTEGER(iwp), INTENT(in) :: j !<
6973
6974	REAL(wp), DIMENSION(nzb:nzt+1) :: flag !< flag to mask topography
6975	REAL(wp), DIMENSION(nzb:nzt+1) :: flag_zddry !< flag to mask zddry
6976	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
6977	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure
6978	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
6979	REAL(wp), DIMENSION(nzb:nzt+1) :: mcsum !< sum of mass concentration
6980	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor: ppm to #/m3
6981	REAL(wp), DIMENSION(nzb:nzt+1) :: zddry !< particle dry diameter
6982	REAL(wp), DIMENSION(nzb:nzt+1) :: zvol !< particle volume
6983
6984	flag_zddry = 0.0_wp
6985	in_adn = 0.0_wp
6986	in_p = 0.0_wp
6987	in_t = 0.0_wp
6988	ppm_to_nconc = 1.0_wp
6989	zddry = 0.0_wp
6990	zvol = 0.0_wp
6991
6992	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'start' )
6993	!
6994	!-- Calculate thermodynamic quantities needed in SALSA
6995	CALL salsa_thrm_ij( i, j, p_ij=in_p, temp_ij=in_t, adn_ij=in_adn )
6996	!
6997	!-- Calculate conversion factors for gas concentrations
6998	ppm_to_nconc = for_ppm_to_nconc * in_p / in_t
6999	!
7000	!-- Predetermine flag to mask topography
7001	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(:,j,i), 0 ) )
7002
7003	DO ib = 1, nbins_aerosol ! aerosol size bins
7004	!
7005	!-- Remove negative values
7006	aerosol_number(ib)%conc(:,j,i) = MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) * flag
7007	!
7008	!-- Calculate total mass concentration per bin
7009	mcsum = 0.0_wp
7010	DO ic = 1, ncomponents_mass
7011	icc = ( ic - 1 ) * nbins_aerosol + ib
7012	mcsum = mcsum + aerosol_mass(icc)%conc(:,j,i) * flag
7013	ENDDO
7014	!
7015	!-- Check that number and mass concentration match qualitatively
7016	IF ( ANY ( aerosol_number(ib)%conc(:,j,i) > nclim .AND. mcsum <= 0.0_wp ) ) THEN
7017	DO k = nzb+1, nzt
7018	IF ( aerosol_number(ib)%conc(k,j,i) > nclim .AND. mcsum(k) <= 0.0_wp ) THEN
7019	aerosol_number(ib)%conc(k,j,i) = nclim * flag(k)
7020	DO ic = 1, ncomponents_mass
7021	icc = ( ic - 1 ) * nbins_aerosol + ib
7022	aerosol_mass(icc)%conc(k,j,i) = mclim * flag(k)
7023	ENDDO
7024	ENDIF
7025	ENDDO
7026	ENDIF
7027	!
7028	!-- Update aerosol particle radius
7029	CALL bin_mixrat( 'dry', ib, i, j, zvol )
7030	zvol = zvol / arhoh2so4 ! Why on sulphate?
7031	!
7032	!-- Particles smaller then 0.1 nm diameter are set to zero
7033	zddry = ( zvol / MAX( nclim, aerosol_number(ib)%conc(:,j,i) ) / api6 )**0.33333333_wp
7034	flag_zddry = MERGE( 1.0_wp, 0.0_wp, ( zddry < 1.0E-10_wp .AND. &
7035	aerosol_number(ib)%conc(:,j,i) > nclim ) )
7036	!
7037	!-- Volatile species to the gas phase
7038	IF ( index_so4 > 0 .AND. lscndgas ) THEN
7039	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
7040	IF ( salsa_gases_from_chem ) THEN
7041	ig = gas_index_chem(1)
7042	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7043	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7044	( amh2so4 * ppm_to_nconc ) * flag
7045	ELSE
7046	salsa_gas(1)%conc(:,j,i) = salsa_gas(1)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7047	amh2so4 * avo * flag_zddry * flag
7048	ENDIF
7049	ENDIF
7050	IF ( index_oc > 0 .AND. lscndgas ) THEN
7051	ic = ( index_oc - 1 ) * nbins_aerosol + ib
7052	IF ( salsa_gases_from_chem ) THEN
7053	ig = gas_index_chem(5)
7054	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7055	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7056	( amoc * ppm_to_nconc ) * flag
7057	ELSE
7058	salsa_gas(5)%conc(:,j,i) = salsa_gas(5)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7059	amoc * avo * flag_zddry * flag
7060	ENDIF
7061	ENDIF
7062	IF ( index_no > 0 .AND. lscndgas ) THEN
7063	ic = ( index_no - 1 ) * nbins_aerosol + ib
7064	IF ( salsa_gases_from_chem ) THEN
7065	ig = gas_index_chem(2)
7066	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7067	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7068	( amhno3 * ppm_to_nconc ) *flag
7069	ELSE
7070	salsa_gas(2)%conc(:,j,i) = salsa_gas(2)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7071	amhno3 * avo * flag_zddry * flag
7072	ENDIF
7073	ENDIF
7074	IF ( index_nh > 0 .AND. lscndgas ) THEN
7075	ic = ( index_nh - 1 ) * nbins_aerosol + ib
7076	IF ( salsa_gases_from_chem ) THEN
7077	ig = gas_index_chem(3)
7078	chem_species(ig)%conc(:,j,i) = chem_species(ig)%conc(:,j,i) + &
7079	aerosol_mass(ic)%conc(:,j,i) * avo * flag_zddry / &
7080	( amnh3 * ppm_to_nconc ) *flag
7081	ELSE
7082	salsa_gas(3)%conc(:,j,i) = salsa_gas(3)%conc(:,j,i) + aerosol_mass(ic)%conc(:,j,i) / &
7083	amnh3 * avo * flag_zddry *flag
7084	ENDIF
7085	ENDIF
7086	!
7087	!-- Mass and number to zero (insoluble species and water are lost)
7088	DO ic = 1, ncomponents_mass
7089	icc = ( ic - 1 ) * nbins_aerosol + ib
7090	aerosol_mass(icc)%conc(:,j,i) = MERGE( mclim * flag, aerosol_mass(icc)%conc(:,j,i), &
7091	flag_zddry > 0.0_wp )
7092	ENDDO
7093	aerosol_number(ib)%conc(:,j,i) = MERGE( nclim, aerosol_number(ib)%conc(:,j,i), &
7094	flag_zddry > 0.0_wp )
7095	ra_dry(:,j,i,ib) = MAX( 1.0E-10_wp, 0.5_wp * zddry )
7096
7097	ENDDO
7098	IF ( .NOT. salsa_gases_from_chem ) THEN
7099	DO ig = 1, ngases_salsa
7100	salsa_gas(ig)%conc(:,j,i) = MAX( nclim, salsa_gas(ig)%conc(:,j,i) ) * flag
7101	ENDDO
7102	ENDIF
7103
7104	CALL cpu_log( log_point_s(94), 'salsa diagnostics ', 'stop' )
7105
7106	END SUBROUTINE salsa_diagnostics
7107
7108
7109	!------------------------------------------------------------------------------!
7110	! Description:
7111	! ------------
7112	!> Call for all grid points
7113	!------------------------------------------------------------------------------!
7114	SUBROUTINE salsa_actions( location )
7115
7116
7117	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7118
7119	SELECT CASE ( location )
7120
7121	CASE ( 'before_timestep' )
7122
7123	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7124
7125	CASE DEFAULT
7126	CONTINUE
7127
7128	END SELECT
7129
7130	END SUBROUTINE salsa_actions
7131
7132
7133	!------------------------------------------------------------------------------!
7134	! Description:
7135	! ------------
7136	!> Call for grid points i,j
7137	!------------------------------------------------------------------------------!
7138
7139	SUBROUTINE salsa_actions_ij( i, j, location )
7140
7141
7142	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
7143	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
7144	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
7145	INTEGER(iwp) :: dummy !< call location string
7146
7147	IF ( salsa ) dummy = i + j
7148
7149	SELECT CASE ( location )
7150
7151	CASE ( 'before_timestep' )
7152
7153	IF ( ws_scheme_sca ) sums_salsa_ws_l = 0.0_wp
7154
7155	CASE DEFAULT
7156	CONTINUE
7157
7158	END SELECT
7159
7160
7161	END SUBROUTINE salsa_actions_ij
7162
7163	!
7164	!------------------------------------------------------------------------------!
7165	! Description:
7166	! ------------
7167	!> Calculate the prognostic equation for aerosol number and mass, and gas
7168	!> concentrations. Cache-optimized.
7169	!------------------------------------------------------------------------------!
7170	SUBROUTINE salsa_prognostic_equations_ij( i, j, i_omp_start, tn )
7171
7172	USE control_parameters, &
7173	ONLY: time_since_reference_point
7174
7175	IMPLICIT NONE
7176
7177	INTEGER(iwp) :: i !<
7178	INTEGER(iwp) :: i_omp_start !<
7179	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7180	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7181	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7182	INTEGER(iwp) :: ig !< loop index for salsa gases
7183	INTEGER(iwp) :: j !<
7184	INTEGER(iwp) :: tn !<
7185
7186	LOGICAL :: sedim !< calculate sedimentation only for aerosols (number and mass)
7187
7188	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7189	!
7190	!-- Aerosol number
7191	DO ib = 1, nbins_aerosol
7192	sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7193	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7194	aerosol_number(ib)%tconc_m, i, j, i_omp_start, tn, ib, ib, &
7195	aerosol_number(ib)%flux_s, aerosol_number(ib)%diss_s, &
7196	aerosol_number(ib)%flux_l, aerosol_number(ib)%diss_l, &
7197	aerosol_number(ib)%init, sedim )
7198	aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7199	!
7200	!-- Aerosol mass
7201	DO ic = 1, ncomponents_mass
7202	icc = ( ic - 1 ) * nbins_aerosol + ib
7203	sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7204	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7205	aerosol_mass(icc)%tconc_m, i, j, i_omp_start, tn, ib, ic, &
7206	aerosol_mass(icc)%flux_s, aerosol_mass(icc)%diss_s, &
7207	aerosol_mass(icc)%flux_l, aerosol_mass(icc)%diss_l, &
7208	aerosol_mass(icc)%init, sedim )
7209	aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7210
7211	ENDDO ! ic
7212	ENDDO ! ib
7213	!
7214	!-- Gases
7215	IF ( .NOT. salsa_gases_from_chem ) THEN
7216
7217	DO ig = 1, ngases_salsa
7218	sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7219	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7220	salsa_gas(ig)%tconc_m, i, j, i_omp_start, tn, ig, ig, &
7221	salsa_gas(ig)%flux_s, salsa_gas(ig)%diss_s, salsa_gas(ig)%flux_l,&
7222	salsa_gas(ig)%diss_l, salsa_gas(ig)%init, sedim )
7223	salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7224
7225	ENDDO ! ig
7226
7227	ENDIF
7228
7229	ENDIF
7230
7231	END SUBROUTINE salsa_prognostic_equations_ij
7232	!
7233	!------------------------------------------------------------------------------!
7234	! Description:
7235	! ------------
7236	!> Calculate the prognostic equation for aerosol number and mass, and gas
7237	!> concentrations. Cache-optimized.
7238	!------------------------------------------------------------------------------!
7239	SUBROUTINE salsa_prognostic_equations()
7240
7241	USE control_parameters, &
7242	ONLY: time_since_reference_point
7243
7244	IMPLICIT NONE
7245
7246	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7247	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7248	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7249	INTEGER(iwp) :: ig !< loop index for salsa gases
7250
7251	LOGICAL :: sedim !< calculate sedimentation only for aerosols (number and mass)
7252
7253	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7254	!
7255	!-- Aerosol number
7256	DO ib = 1, nbins_aerosol
7257	sums_salsa_ws_l = aerosol_number(ib)%sums_ws_l
7258	CALL salsa_tendency( 'aerosol_number', aerosol_number(ib)%conc_p, aerosol_number(ib)%conc,&
7259	aerosol_number(ib)%tconc_m, ib, ib, aerosol_number(ib)%init, sedim )
7260	aerosol_number(ib)%sums_ws_l = sums_salsa_ws_l
7261	!
7262	!-- Aerosol mass
7263	DO ic = 1, ncomponents_mass
7264	icc = ( ic - 1 ) * nbins_aerosol + ib
7265	sums_salsa_ws_l = aerosol_mass(icc)%sums_ws_l
7266	CALL salsa_tendency( 'aerosol_mass', aerosol_mass(icc)%conc_p, aerosol_mass(icc)%conc,&
7267	aerosol_mass(icc)%tconc_m, ib, ic, aerosol_mass(icc)%init, sedim )
7268	aerosol_mass(icc)%sums_ws_l = sums_salsa_ws_l
7269
7270	ENDDO ! ic
7271	ENDDO ! ib
7272	!
7273	!-- Gases
7274	IF ( .NOT. salsa_gases_from_chem ) THEN
7275
7276	DO ig = 1, ngases_salsa
7277	sums_salsa_ws_l = salsa_gas(ig)%sums_ws_l
7278	CALL salsa_tendency( 'salsa_gas', salsa_gas(ig)%conc_p, salsa_gas(ig)%conc, &
7279	salsa_gas(ig)%tconc_m, ig, ig, salsa_gas(ig)%init, sedim )
7280	salsa_gas(ig)%sums_ws_l = sums_salsa_ws_l
7281
7282	ENDDO ! ig
7283
7284	ENDIF
7285
7286	ENDIF
7287
7288	END SUBROUTINE salsa_prognostic_equations
7289	!
7290	!------------------------------------------------------------------------------!
7291	! Description:
7292	! ------------
7293	!> Tendencies for aerosol number and mass and gas concentrations.
7294	!> Cache-optimized.
7295	!------------------------------------------------------------------------------!
7296	SUBROUTINE salsa_tendency_ij( id, rs_p, rs, trs_m, i, j, i_omp_start, tn, ib, ic, flux_s, diss_s, &
7297	flux_l, diss_l, rs_init, do_sedimentation )
7298
7299	USE advec_ws, &
7300	ONLY: advec_s_ws
7301
7302	USE advec_s_pw_mod, &
7303	ONLY: advec_s_pw
7304
7305	USE advec_s_up_mod, &
7306	ONLY: advec_s_up
7307
7308	USE arrays_3d, &
7309	ONLY: ddzu, rdf_sc, tend
7310
7311	USE diffusion_s_mod, &
7312	ONLY: diffusion_s
7313
7314	USE indices, &
7315	ONLY: wall_flags_0
7316
7317	USE pegrid, &
7318	ONLY: threads_per_task
7319
7320	USE surface_mod, &
7321	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7322
7323	IMPLICIT NONE
7324
7325	CHARACTER(LEN = *) :: id !<
7326
7327	INTEGER(iwp) :: i !<
7328	INTEGER(iwp) :: i_omp_start !<
7329	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7330	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7331	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7332	INTEGER(iwp) :: j !<
7333	INTEGER(iwp) :: k !<
7334	INTEGER(iwp) :: tn !<
7335
7336	LOGICAL :: do_sedimentation !<
7337
7338	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7339
7340	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s !<
7341	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s !<
7342
7343	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l !<
7344	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l !<
7345
7346	REAL(wp), DIMENSION(:,:,:), POINTER :: rs_p !<
7347	REAL(wp), DIMENSION(:,:,:), POINTER :: rs !<
7348	REAL(wp), DIMENSION(:,:,:), POINTER :: trs_m !<
7349
7350	icc = ( ic - 1 ) * nbins_aerosol + ib
7351	!
7352	!-- Tendency-terms for reactive scalar
7353	tend(:,j,i) = 0.0_wp
7354	!
7355	!-- Advection terms
7356	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7357	IF ( ws_scheme_sca ) THEN
7358	CALL advec_s_ws( i, j, rs, id, flux_s, diss_s, flux_l, diss_l, i_omp_start, tn )
7359	ELSE
7360	CALL advec_s_pw( i, j, rs )
7361	ENDIF
7362	ELSE
7363	CALL advec_s_up( i, j, rs )
7364	ENDIF
7365	!
7366	!-- Diffusion terms
7367	SELECT CASE ( id )
7368	CASE ( 'aerosol_number' )
7369	CALL diffusion_s( i, j, rs, surf_def_h(0)%answs(:,ib), &
7370	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
7371	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
7372	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
7373	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
7374	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
7375	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
7376	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
7377	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
7378	CASE ( 'aerosol_mass' )
7379	CALL diffusion_s( i, j, rs, surf_def_h(0)%amsws(:,icc), &
7380	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
7381	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
7382	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
7383	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
7384	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
7385	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
7386	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
7387	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
7388	CASE ( 'salsa_gas' )
7389	CALL diffusion_s( i, j, rs, surf_def_h(0)%gtsws(:,ib), &
7390	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
7391	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
7392	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
7393	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
7394	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
7395	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
7396	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
7397	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
7398	END SELECT
7399	!
7400	!-- Sedimentation for aerosol number and mass
7401	IF ( lsdepo .AND. do_sedimentation ) THEN
7402	tend(nzb+1:nzt,j,i) = tend(nzb+1:nzt,j,i) - MAX( 0.0_wp, &
7403	( rs(nzb+2:nzt+1,j,i) * sedim_vd(nzb+2:nzt+1,j,i,ib) - &
7404	rs(nzb+1:nzt,j,i) * sedim_vd(nzb+1:nzt,j,i,ib) ) * ddzu(nzb+1:nzt) )&
7405	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(nzb:nzt-1,j,i), 0 ) )
7406	ENDIF
7407	!
7408	!-- Prognostic equation for a scalar
7409	DO k = nzb+1, nzt
7410	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) ) &
7411	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) ) ) &
7412	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7413	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7414	ENDDO
7415	!
7416	!-- Calculate tendencies for the next Runge-Kutta step
7417	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7418	IF ( intermediate_timestep_count == 1 ) THEN
7419	DO k = nzb+1, nzt
7420	trs_m(k,j,i) = tend(k,j,i)
7421	ENDDO
7422	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
7423	DO k = nzb+1, nzt
7424	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
7425	ENDDO
7426	ENDIF
7427	ENDIF
7428
7429	END SUBROUTINE salsa_tendency_ij
7430	!
7431	!------------------------------------------------------------------------------!
7432	! Description:
7433	! ------------
7434	!> Calculate the tendencies for aerosol number and mass concentrations.
7435	!> Vector-optimized.
7436	!------------------------------------------------------------------------------!
7437	SUBROUTINE salsa_tendency( id, rs_p, rs, trs_m, ib, ic, rs_init, do_sedimentation )
7438
7439	USE advec_ws, &
7440	ONLY: advec_s_ws
7441	USE advec_s_pw_mod, &
7442	ONLY: advec_s_pw
7443	USE advec_s_up_mod, &
7444	ONLY: advec_s_up
7445	USE arrays_3d, &
7446	ONLY: ddzu, rdf_sc, tend
7447	USE diffusion_s_mod, &
7448	ONLY: diffusion_s
7449	USE indices, &
7450	ONLY: wall_flags_0
7451	USE surface_mod, &
7452	ONLY : surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
7453
7454	IMPLICIT NONE
7455
7456	CHARACTER(LEN = *) :: id
7457
7458	INTEGER(iwp) :: ib !< loop index for aerosol number bin OR gas index
7459	INTEGER(iwp) :: ic !< loop index for aerosol mass bin
7460	INTEGER(iwp) :: icc !< (c-1)*nbins_aerosol+b
7461	INTEGER(iwp) :: i !<
7462	INTEGER(iwp) :: j !<
7463	INTEGER(iwp) :: k !<
7464
7465	LOGICAL :: do_sedimentation !<
7466
7467	REAL(wp), DIMENSION(nzb:nzt+1) :: rs_init !<
7468
7469	REAL(wp), DIMENSION(:,:,:), POINTER :: rs_p !<
7470	REAL(wp), DIMENSION(:,:,:), POINTER :: rs !<
7471	REAL(wp), DIMENSION(:,:,:), POINTER :: trs_m !<
7472
7473	icc = ( ic - 1 ) * nbins_aerosol + ib
7474	!
7475	!-- Tendency-terms for reactive scalar
7476	tend = 0.0_wp
7477	!
7478	!-- Advection terms
7479	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7480	IF ( ws_scheme_sca ) THEN
7481	CALL advec_s_ws( rs, id )
7482	ELSE
7483	CALL advec_s_pw( rs )
7484	ENDIF
7485	ELSE
7486	CALL advec_s_up( rs )
7487	ENDIF
7488	!
7489	!-- Diffusion terms
7490	SELECT CASE ( id )
7491	CASE ( 'aerosol_number' )
7492	CALL diffusion_s( rs, surf_def_h(0)%answs(:,ib), &
7493	surf_def_h(1)%answs(:,ib), surf_def_h(2)%answs(:,ib), &
7494	surf_lsm_h%answs(:,ib), surf_usm_h%answs(:,ib), &
7495	surf_def_v(0)%answs(:,ib), surf_def_v(1)%answs(:,ib), &
7496	surf_def_v(2)%answs(:,ib), surf_def_v(3)%answs(:,ib), &
7497	surf_lsm_v(0)%answs(:,ib), surf_lsm_v(1)%answs(:,ib), &
7498	surf_lsm_v(2)%answs(:,ib), surf_lsm_v(3)%answs(:,ib), &
7499	surf_usm_v(0)%answs(:,ib), surf_usm_v(1)%answs(:,ib), &
7500	surf_usm_v(2)%answs(:,ib), surf_usm_v(3)%answs(:,ib) )
7501	CASE ( 'aerosol_mass' )
7502	CALL diffusion_s( rs, surf_def_h(0)%amsws(:,icc), &
7503	surf_def_h(1)%amsws(:,icc), surf_def_h(2)%amsws(:,icc), &
7504	surf_lsm_h%amsws(:,icc), surf_usm_h%amsws(:,icc), &
7505	surf_def_v(0)%amsws(:,icc), surf_def_v(1)%amsws(:,icc), &
7506	surf_def_v(2)%amsws(:,icc), surf_def_v(3)%amsws(:,icc), &
7507	surf_lsm_v(0)%amsws(:,icc), surf_lsm_v(1)%amsws(:,icc), &
7508	surf_lsm_v(2)%amsws(:,icc), surf_lsm_v(3)%amsws(:,icc), &
7509	surf_usm_v(0)%amsws(:,icc), surf_usm_v(1)%amsws(:,icc), &
7510	surf_usm_v(2)%amsws(:,icc), surf_usm_v(3)%amsws(:,icc) )
7511	CASE ( 'salsa_gas' )
7512	CALL diffusion_s( rs, surf_def_h(0)%gtsws(:,ib), &
7513	surf_def_h(1)%gtsws(:,ib), surf_def_h(2)%gtsws(:,ib), &
7514	surf_lsm_h%gtsws(:,ib), surf_usm_h%gtsws(:,ib), &
7515	surf_def_v(0)%gtsws(:,ib), surf_def_v(1)%gtsws(:,ib), &
7516	surf_def_v(2)%gtsws(:,ib), surf_def_v(3)%gtsws(:,ib), &
7517	surf_lsm_v(0)%gtsws(:,ib), surf_lsm_v(1)%gtsws(:,ib), &
7518	surf_lsm_v(2)%gtsws(:,ib), surf_lsm_v(3)%gtsws(:,ib), &
7519	surf_usm_v(0)%gtsws(:,ib), surf_usm_v(1)%gtsws(:,ib), &
7520	surf_usm_v(2)%gtsws(:,ib), surf_usm_v(3)%gtsws(:,ib) )
7521	END SELECT
7522	!
7523	!-- Prognostic equation for a scalar
7524	DO i = nxl, nxr
7525	DO j = nys, nyn
7526	!
7527	!-- Sedimentation for aerosol number and mass
7528	IF ( lsdepo .AND. do_sedimentation ) THEN
7529	tend(nzb+1:nzt,j,i) = tend(nzb+1:nzt,j,i) - MAX( 0.0_wp, ( rs(nzb+2:nzt+1,j,i) * &
7530	sedim_vd(nzb+2:nzt+1,j,i,ib) - rs(nzb+1:nzt,j,i) * &
7531	sedim_vd(nzb+1:nzt,j,i,ib) ) * ddzu(nzb+1:nzt) ) * &
7532	MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(nzb:nzt-1,j,i), 0 ) )
7533	ENDIF
7534	DO k = nzb+1, nzt
7535	rs_p(k,j,i) = rs(k,j,i) + ( dt_3d * ( tsc(2) * tend(k,j,i) + tsc(3) * trs_m(k,j,i) )&
7536	- tsc(5) * rdf_sc(k) * ( rs(k,j,i) - rs_init(k) )&
7537	) * MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7538	IF ( rs_p(k,j,i) < 0.0_wp ) rs_p(k,j,i) = 0.1_wp * rs(k,j,i)
7539	ENDDO
7540	ENDDO
7541	ENDDO
7542	!
7543	!-- Calculate tendencies for the next Runge-Kutta step
7544	IF ( timestep_scheme(1:5) == 'runge' ) THEN
7545	IF ( intermediate_timestep_count == 1 ) THEN
7546	DO i = nxl, nxr
7547	DO j = nys, nyn
7548	DO k = nzb+1, nzt
7549	trs_m(k,j,i) = tend(k,j,i)
7550	ENDDO
7551	ENDDO
7552	ENDDO
7553	ELSEIF ( intermediate_timestep_count < intermediate_timestep_count_max ) THEN
7554	DO i = nxl, nxr
7555	DO j = nys, nyn
7556	DO k = nzb+1, nzt
7557	trs_m(k,j,i) = -9.5625_wp * tend(k,j,i) + 5.3125_wp * trs_m(k,j,i)
7558	ENDDO
7559	ENDDO
7560	ENDDO
7561	ENDIF
7562	ENDIF
7563
7564	END SUBROUTINE salsa_tendency
7565
7566	!------------------------------------------------------------------------------!
7567	! Description:
7568	! ------------
7569	!> Boundary conditions for prognostic variables in SALSA
7570	!------------------------------------------------------------------------------!
7571	SUBROUTINE salsa_boundary_conds
7572
7573	USE arrays_3d, &
7574	ONLY: dzu
7575
7576	USE surface_mod, &
7577	ONLY : bc_h
7578
7579	IMPLICIT NONE
7580
7581	INTEGER(iwp) :: i !< grid index x direction
7582	INTEGER(iwp) :: ib !< index for aerosol size bins
7583	INTEGER(iwp) :: ic !< index for chemical compounds in aerosols
7584	INTEGER(iwp) :: icc !< additional index for chemical compounds in aerosols
7585	INTEGER(iwp) :: ig !< idex for gaseous compounds
7586	INTEGER(iwp) :: j !< grid index y direction
7587	INTEGER(iwp) :: k !< grid index y direction
7588	INTEGER(iwp) :: kb !< variable to set respective boundary value, depends on facing.
7589	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls
7590	INTEGER(iwp) :: m !< running index surface elements
7591
7592	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7593
7594	!
7595	!-- Surface conditions:
7596	IF ( ibc_salsa_b == 0 ) THEN ! Dirichlet
7597	!
7598	!-- Run loop over all non-natural and natural walls. Note, in wall-datatype the k coordinate
7599	!-- belongs to the atmospheric grid point, therefore, set s_p at k-1
7600	DO l = 0, 1
7601	!
7602	!-- Set kb, for upward-facing surfaces value at topography top (k-1) is
7603	!-- set, for downward-facing surfaces at topography bottom (k+1)
7604	kb = MERGE ( -1, 1, l == 0 )
7605	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
7606	!$OMP DO
7607	DO m = 1, bc_h(l)%ns
7608
7609	i = bc_h(l)%i(m)
7610	j = bc_h(l)%j(m)
7611	k = bc_h(l)%k(m)
7612
7613	DO ib = 1, nbins_aerosol
7614	aerosol_number(ib)%conc_p(k+kb,j,i) = aerosol_number(ib)%conc(k+kb,j,i)
7615	DO ic = 1, ncomponents_mass
7616	icc = ( ic - 1 ) * nbins_aerosol + ib
7617	aerosol_mass(icc)%conc_p(k+kb,j,i) = aerosol_mass(icc)%conc(k+kb,j,i)
7618	ENDDO
7619	ENDDO
7620	IF ( .NOT. salsa_gases_from_chem ) THEN
7621	DO ig = 1, ngases_salsa
7622	salsa_gas(ig)%conc_p(k+kb,j,i) = salsa_gas(ig)%conc(k+kb,j,i)
7623	ENDDO
7624	ENDIF
7625
7626	ENDDO
7627	!$OMP END PARALLEL
7628
7629	ENDDO
7630
7631	ELSE ! Neumann
7632
7633	DO l = 0, 1
7634	!
7635	!-- Set kb, for upward-facing surfaces value at topography top (k-1) is
7636	!-- set, for downward-facing surfaces at topography bottom (k+1)
7637	kb = MERGE( -1, 1, l == 0 )
7638	!$OMP PARALLEL PRIVATE( ib, ic, icc, ig, i, j, k )
7639	!$OMP DO
7640	DO m = 1, bc_h(l)%ns
7641
7642	i = bc_h(l)%i(m)
7643	j = bc_h(l)%j(m)
7644	k = bc_h(l)%k(m)
7645
7646	DO ib = 1, nbins_aerosol
7647	aerosol_number(ib)%conc_p(k+kb,j,i) = aerosol_number(ib)%conc_p(k,j,i)
7648	DO ic = 1, ncomponents_mass
7649	icc = ( ic - 1 ) * nbins_aerosol + ib
7650	aerosol_mass(icc)%conc_p(k+kb,j,i) = aerosol_mass(icc)%conc_p(k,j,i)
7651	ENDDO
7652	ENDDO
7653	IF ( .NOT. salsa_gases_from_chem ) THEN
7654	DO ig = 1, ngases_salsa
7655	salsa_gas(ig)%conc_p(k+kb,j,i) = salsa_gas(ig)%conc_p(k,j,i)
7656	ENDDO
7657	ENDIF
7658
7659	ENDDO
7660	!$OMP END PARALLEL
7661	ENDDO
7662
7663	ENDIF
7664	!
7665	!-- Top boundary conditions:
7666	IF ( ibc_salsa_t == 0 ) THEN ! Dirichlet
7667
7668	DO ib = 1, nbins_aerosol
7669	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc(nzt+1,:,:)
7670	DO ic = 1, ncomponents_mass
7671	icc = ( ic - 1 ) * nbins_aerosol + ib
7672	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc(nzt+1,:,:)
7673	ENDDO
7674	ENDDO
7675	IF ( .NOT. salsa_gases_from_chem ) THEN
7676	DO ig = 1, ngases_salsa
7677	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc(nzt+1,:,:)
7678	ENDDO
7679	ENDIF
7680
7681	ELSEIF ( ibc_salsa_t == 1 ) THEN ! Neumann
7682
7683	DO ib = 1, nbins_aerosol
7684	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:)
7685	DO ic = 1, ncomponents_mass
7686	icc = ( ic - 1 ) * nbins_aerosol + ib
7687	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:)
7688	ENDDO
7689	ENDDO
7690	IF ( .NOT. salsa_gases_from_chem ) THEN
7691	DO ig = 1, ngases_salsa
7692	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:)
7693	ENDDO
7694	ENDIF
7695
7696	ELSEIF ( ibc_salsa_t == 2 ) THEN ! nested
7697
7698	DO ib = 1, nbins_aerosol
7699	aerosol_number(ib)%conc_p(nzt+1,:,:) = aerosol_number(ib)%conc_p(nzt,:,:) + &
7700	bc_an_t_val(ib) * dzu(nzt+1)
7701	DO ic = 1, ncomponents_mass
7702	icc = ( ic - 1 ) * nbins_aerosol + ib
7703	aerosol_mass(icc)%conc_p(nzt+1,:,:) = aerosol_mass(icc)%conc_p(nzt,:,:) + &
7704	bc_am_t_val(icc) * dzu(nzt+1)
7705	ENDDO
7706	ENDDO
7707	IF ( .NOT. salsa_gases_from_chem ) THEN
7708	DO ig = 1, ngases_salsa
7709	salsa_gas(ig)%conc_p(nzt+1,:,:) = salsa_gas(ig)%conc_p(nzt,:,:) + &
7710	bc_gt_t_val(ig) * dzu(nzt+1)
7711	ENDDO
7712	ENDIF
7713
7714	ENDIF
7715	!
7716	!-- Lateral boundary conditions at the outflow
7717	IF ( bc_radiation_s ) THEN
7718	DO ib = 1, nbins_aerosol
7719	aerosol_number(ib)%conc_p(:,nys-1,:) = aerosol_number(ib)%conc_p(:,nys,:)
7720	DO ic = 1, ncomponents_mass
7721	icc = ( ic - 1 ) * nbins_aerosol + ib
7722	aerosol_mass(icc)%conc_p(:,nys-1,:) = aerosol_mass(icc)%conc_p(:,nys,:)
7723	ENDDO
7724	ENDDO
7725	IF ( .NOT. salsa_gases_from_chem ) THEN
7726	DO ig = 1, ngases_salsa
7727	salsa_gas(ig)%conc_p(:,nys-1,:) = salsa_gas(ig)%conc_p(:,nys,:)
7728	ENDDO
7729	ENDIF
7730
7731	ELSEIF ( bc_radiation_n ) THEN
7732	DO ib = 1, nbins_aerosol
7733	aerosol_number(ib)%conc_p(:,nyn+1,:) = aerosol_number(ib)%conc_p(:,nyn,:)
7734	DO ic = 1, ncomponents_mass
7735	icc = ( ic - 1 ) * nbins_aerosol + ib
7736	aerosol_mass(icc)%conc_p(:,nyn+1,:) = aerosol_mass(icc)%conc_p(:,nyn,:)
7737	ENDDO
7738	ENDDO
7739	IF ( .NOT. salsa_gases_from_chem ) THEN
7740	DO ig = 1, ngases_salsa
7741	salsa_gas(ig)%conc_p(:,nyn+1,:) = salsa_gas(ig)%conc_p(:,nyn,:)
7742	ENDDO
7743	ENDIF
7744
7745	ELSEIF ( bc_radiation_l ) THEN
7746	DO ib = 1, nbins_aerosol
7747	aerosol_number(ib)%conc_p(:,:,nxl-1) = aerosol_number(ib)%conc_p(:,:,nxl)
7748	DO ic = 1, ncomponents_mass
7749	icc = ( ic - 1 ) * nbins_aerosol + ib
7750	aerosol_mass(icc)%conc_p(:,:,nxl-1) = aerosol_mass(icc)%conc_p(:,:,nxl)
7751	ENDDO
7752	ENDDO
7753	IF ( .NOT. salsa_gases_from_chem ) THEN
7754	DO ig = 1, ngases_salsa
7755	salsa_gas(ig)%conc_p(:,:,nxl-1) = salsa_gas(ig)%conc_p(:,:,nxl)
7756	ENDDO
7757	ENDIF
7758
7759	ELSEIF ( bc_radiation_r ) THEN
7760	DO ib = 1, nbins_aerosol
7761	aerosol_number(ib)%conc_p(:,:,nxr+1) = aerosol_number(ib)%conc_p(:,:,nxr)
7762	DO ic = 1, ncomponents_mass
7763	icc = ( ic - 1 ) * nbins_aerosol + ib
7764	aerosol_mass(icc)%conc_p(:,:,nxr+1) = aerosol_mass(icc)%conc_p(:,:,nxr)
7765	ENDDO
7766	ENDDO
7767	IF ( .NOT. salsa_gases_from_chem ) THEN
7768	DO ig = 1, ngases_salsa
7769	salsa_gas(ig)%conc_p(:,:,nxr+1) = salsa_gas(ig)%conc_p(:,:,nxr)
7770	ENDDO
7771	ENDIF
7772
7773	ENDIF
7774
7775	ENDIF
7776
7777	END SUBROUTINE salsa_boundary_conds
7778
7779	!------------------------------------------------------------------------------!
7780	! Description:
7781	! ------------
7782	! Undoing of the previously done cyclic boundary conditions.
7783	!------------------------------------------------------------------------------!
7784	SUBROUTINE salsa_boundary_conds_decycle ( sq, sq_init )
7785
7786	IMPLICIT NONE
7787
7788	INTEGER(iwp) :: boundary !<
7789	INTEGER(iwp) :: ee !<
7790	INTEGER(iwp) :: copied !<
7791	INTEGER(iwp) :: i !<
7792	INTEGER(iwp) :: j !<
7793	INTEGER(iwp) :: k !<
7794	INTEGER(iwp) :: ss !<
7795
7796	REAL(wp) :: flag !< flag to mask topography grid points
7797
7798	REAL(wp), DIMENSION(nzb:nzt+1) :: sq_init !< initial concentration profile
7799
7800	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: sq !< concentration array
7801
7802	flag = 0.0_wp
7803	!
7804	!-- Left and right boundaries
7805	IF ( decycle_lr .AND. ( bc_lr_cyc .OR. bc_lr == 'nested' ) ) THEN
7806
7807	DO boundary = 1, 2
7808
7809	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
7810	!
7811	!-- Initial profile is copied to ghost and first three layers
7812	ss = 1
7813	ee = 0
7814	IF ( boundary == 1 .AND. nxl == 0 ) THEN
7815	ss = nxlg
7816	ee = nxl+2
7817	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
7818	ss = nxr-2
7819	ee = nxrg
7820	ENDIF
7821
7822	DO i = ss, ee
7823	DO j = nysg, nyng
7824	DO k = nzb+1, nzt
7825	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7826	sq(k,j,i) = sq_init(k) * flag
7827	ENDDO
7828	ENDDO
7829	ENDDO
7830
7831	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
7832	!
7833	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
7834	!-- zero gradient
7835	ss = 1
7836	ee = 0
7837	IF ( boundary == 1 .AND. nxl == 0 ) THEN
7838	ss = nxlg
7839	ee = nxl-1
7840	copied = nxl
7841	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
7842	ss = nxr+1
7843	ee = nxrg
7844	copied = nxr
7845	ENDIF
7846
7847	DO i = ss, ee
7848	DO j = nysg, nyng
7849	DO k = nzb+1, nzt
7850	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7851	sq(k,j,i) = sq(k,j,copied) * flag
7852	ENDDO
7853	ENDDO
7854	ENDDO
7855
7856	ELSE
7857	WRITE(message_string,*) 'unknown decycling method: decycle_method (', boundary, &
7858	') ="' // TRIM( decycle_method(boundary) ) // '"'
7859	CALL message( 'salsa_boundary_conds_decycle', 'PA0626', 1, 2, 0, 6, 0 )
7860	ENDIF
7861	ENDDO
7862	ENDIF
7863
7864	!
7865	!-- South and north boundaries
7866	IF ( decycle_ns .AND. ( bc_ns_cyc .OR. bc_ns == 'nested' ) ) THEN
7867
7868	DO boundary = 3, 4
7869
7870	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
7871	!
7872	!-- Initial profile is copied to ghost and first three layers
7873	ss = 1
7874	ee = 0
7875	IF ( boundary == 3 .AND. nys == 0 ) THEN
7876	ss = nysg
7877	ee = nys+2
7878	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
7879	ss = nyn-2
7880	ee = nyng
7881	ENDIF
7882
7883	DO i = nxlg, nxrg
7884	DO j = ss, ee
7885	DO k = nzb+1, nzt
7886	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7887	sq(k,j,i) = sq_init(k) * flag
7888	ENDDO
7889	ENDDO
7890	ENDDO
7891
7892	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
7893	!
7894	!-- The value at the boundary is copied to the ghost layers to simulate an outlet with
7895	!-- zero gradient
7896	ss = 1
7897	ee = 0
7898	IF ( boundary == 3 .AND. nys == 0 ) THEN
7899	ss = nysg
7900	ee = nys-1
7901	copied = nys
7902	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
7903	ss = nyn+1
7904	ee = nyng
7905	copied = nyn
7906	ENDIF
7907
7908	DO i = nxlg, nxrg
7909	DO j = ss, ee
7910	DO k = nzb+1, nzt
7911	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
7912	sq(k,j,i) = sq(k,copied,i) * flag
7913	ENDDO
7914	ENDDO
7915	ENDDO
7916
7917	ELSE
7918	WRITE(message_string,*) 'unknown decycling method: decycle_method (', boundary, &
7919	') ="' // TRIM( decycle_method(boundary) ) // '"'
7920	CALL message( 'salsa_boundary_conds_decycle', 'PA0627', 1, 2, 0, 6, 0 )
7921	ENDIF
7922	ENDDO
7923	ENDIF
7924
7925	END SUBROUTINE salsa_boundary_conds_decycle
7926
7927	!------------------------------------------------------------------------------!
7928	! Description:
7929	! ------------
7930	!> Calculates the total dry or wet mass concentration for individual bins
7931	!> Juha Tonttila (FMI) 2015
7932	!> Tomi Raatikainen (FMI) 2016
7933	!------------------------------------------------------------------------------!
7934	SUBROUTINE bin_mixrat( itype, ibin, i, j, mconc )
7935
7936	IMPLICIT NONE
7937
7938	CHARACTER(len=*), INTENT(in) :: itype !< 'dry' or 'wet'
7939
7940	INTEGER(iwp) :: ic !< loop index for mass bin number
7941	INTEGER(iwp) :: iend !< end index: include water or not
7942
7943	INTEGER(iwp), INTENT(in) :: ibin !< index of the chemical component
7944	INTEGER(iwp), INTENT(in) :: i !< loop index for x-direction
7945	INTEGER(iwp), INTENT(in) :: j !< loop index for y-direction
7946
7947	REAL(wp), DIMENSION(:), INTENT(out) :: mconc !< total dry or wet mass concentration
7948
7949	!-- Number of components
7950	IF ( itype == 'dry' ) THEN
7951	iend = prtcl%ncomp - 1
7952	ELSE IF ( itype == 'wet' ) THEN
7953	iend = prtcl%ncomp
7954	ELSE
7955	message_string = 'Error in itype!'
7956	CALL message( 'salsa_mod: bin_mixrat', 'PA0628', 2, 2, 0, 6, 0 )
7957	ENDIF
7958
7959	mconc = 0.0_wp
7960
7961	DO ic = ibin, iend*nbins_aerosol+ibin, nbins_aerosol !< every nbins'th element
7962	mconc = mconc + aerosol_mass(ic)%conc(:,j,i)
7963	ENDDO
7964
7965	END SUBROUTINE bin_mixrat
7966
7967	!------------------------------------------------------------------------------!
7968	! Description:
7969	! ------------
7970	!> Sets surface fluxes
7971	!------------------------------------------------------------------------------!
7972	SUBROUTINE salsa_emission_update
7973
7974	USE control_parameters, &
7975	ONLY: time_since_reference_point
7976
7977	IMPLICIT NONE
7978
7979	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
7980
7981	IF ( next_aero_emission_update <= time_since_reference_point ) THEN
7982	CALL salsa_emission_setup( .FALSE. )
7983	ENDIF
7984
7985	IF ( next_gas_emission_update <= time_since_reference_point ) THEN
7986	IF ( salsa_emission_mode == 'read_from_file' .AND. .NOT. salsa_gases_from_chem ) THEN
7987	CALL salsa_gas_emission_setup( .FALSE. )
7988	ENDIF
7989	ENDIF
7990
7991	ENDIF
7992
7993	END SUBROUTINE salsa_emission_update
7994
7995	!------------------------------------------------------------------------------!
7996	!> Description:
7997	!> ------------
7998	!> Define aerosol fluxes: constant or read from a from file
7999	!> @todo - Emission stack height is not used yet. For default mode, emissions
8000	!> are assumed to occur on upward facing horizontal surfaces.
8001	!------------------------------------------------------------------------------!
8002	SUBROUTINE salsa_emission_setup( init )
8003
8004	USE control_parameters, &
8005	ONLY: time_since_reference_point
8006
8007	USE date_and_time_mod, &
8008	ONLY: day_of_month, hour_of_day, index_dd, index_hh, index_mm, month_of_year, &
8009	time_default_indices, time_utc_init
8010
8011	USE netcdf_data_input_mod, &
8012	ONLY: check_existence, get_attribute, get_variable, inquire_num_variables, &
8013	inquire_variable_names, netcdf_data_input_get_dimension_length, open_read_file
8014
8015	USE surface_mod, &
8016	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
8017
8018	IMPLICIT NONE
8019
8020	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
8021	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
8022	CHARACTER(LEN=25) :: mod_name !< name in the input file
8023
8024	INTEGER(iwp) :: ib !< loop index: aerosol number bins
8025	INTEGER(iwp) :: ic !< loop index: aerosol chemical components
8026	INTEGER(iwp) :: id_salsa !< NetCDF id of aerosol emission input file
8027	INTEGER(iwp) :: in !< loop index: emission category
8028	INTEGER(iwp) :: inn !< loop index
8029	INTEGER(iwp) :: ss !< loop index
8030
8031	INTEGER(iwp), DIMENSION(maxspec) :: cc_i2m !<
8032
8033	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
8034
8035	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
8036
8037	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect_emission !< sectional number emission
8038
8039	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: source_array !< temporary source array
8040
8041	!
8042	!-- Allocate source arrays:
8043	DO ib = 1, nbins_aerosol
8044	IF ( init ) ALLOCATE( aerosol_number(ib)%source(nys:nyn,nxl:nxr) )
8045	aerosol_number(ib)%source = 0.0_wp
8046	ENDDO
8047
8048	DO ic = 1, ncomponents_mass * nbins_aerosol
8049	IF ( init ) ALLOCATE( aerosol_mass(ic)%source(nys:nyn,nxl:nxr) )
8050	aerosol_mass(ic)%source = 0.0_wp
8051	ENDDO
8052
8053	!
8054	!-- Define emissions:
8055
8056	SELECT CASE ( salsa_emission_mode )
8057
8058	CASE ( 'uniform' )
8059
8060	IF ( init ) THEN ! Do only once
8061	!
8062	!- Form a sectional size distribution for the emissions
8063	ALLOCATE( nsect_emission(1:nbins_aerosol), &
8064	source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8065	!
8066	!-- Precalculate a size distribution for the emission based on the mean diameter, standard
8067	!-- deviation and number concentration per each log-normal mode
8068	CALL size_distribution( surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
8069	nsect_emission )
8070	DO ib = 1, nbins_aerosol
8071	source_array(:,:,ib) = nsect_emission(ib)
8072	ENDDO
8073	!
8074	!-- Check which chemical components are used
8075	cc_i2m = 0
8076	IF ( index_so4 > 0 ) cc_i2m(1) = index_so4
8077	IF ( index_oc > 0 ) cc_i2m(2) = index_oc
8078	IF ( index_bc > 0 ) cc_i2m(3) = index_bc
8079	IF ( index_du > 0 ) cc_i2m(4) = index_du
8080	IF ( index_ss > 0 ) cc_i2m(5) = index_ss
8081	IF ( index_no > 0 ) cc_i2m(6) = index_no
8082	IF ( index_nh > 0 ) cc_i2m(7) = index_nh
8083	!
8084	!-- Normalise mass fractions so that their sum is 1
8085	aerosol_flux_mass_fracs_a = aerosol_flux_mass_fracs_a / &
8086	SUM( aerosol_flux_mass_fracs_a(1:ncc ) )
8087	!
8088	!-- Set uniform fluxes of default horizontal surfaces
8089	CALL set_flux( surf_def_h(0), cc_i2m, aerosol_flux_mass_fracs_a, source_array )
8090	!
8091	!-- Subrange 2b:
8092	IF ( SUM( aerosol_flux_mass_fracs_b ) > 0.0_wp ) THEN
8093	CALL location_message( ' salsa_emission_setup: emissions are soluble!', .TRUE. )
8094	ENDIF
8095
8096	DEALLOCATE( nsect_emission, source_array )
8097	ENDIF
8098
8099	CASE ( 'parameterized' )
8100	!
8101	!-- TO DO
8102
8103	CASE ( 'read_from_file' )
8104	!
8105	!-- Reset surface fluxes
8106	surf_def_h(0)%answs = 0.0_wp
8107	surf_def_h(0)%amsws = 0.0_wp
8108	surf_lsm_h%answs = 0.0_wp
8109	surf_lsm_h%amsws = 0.0_wp
8110	surf_usm_h%answs = 0.0_wp
8111	surf_usm_h%amsws = 0.0_wp
8112
8113	#if defined( __netcdf )
8114	IF ( init ) THEN
8115	!
8116	!-- Check existence of PIDS_SALSA file
8117	INQUIRE( FILE = input_file_salsa // TRIM( coupling_char ), EXIST = netcdf_extend )
8118	IF ( .NOT. netcdf_extend ) THEN
8119	message_string = 'Input file '// TRIM( input_file_salsa ) // TRIM( coupling_char )&
8120	// ' missing!'
8121	CALL message( 'salsa_emission_setup', 'PA0629', 1, 2, 0, 6, 0 )
8122	ENDIF
8123	!
8124	!-- Open file in read-only mode
8125	CALL open_read_file( input_file_salsa // TRIM( coupling_char ), id_salsa )
8126	!
8127	!-- Read the index and name of chemical components
8128	CALL netcdf_data_input_get_dimension_length( id_salsa, aero_emission_att%ncc, &
8129	'composition_index' )
8130	ALLOCATE( aero_emission_att%cc_index(1:aero_emission_att%ncc) )
8131	CALL get_variable( id_salsa, 'composition_index', aero_emission_att%cc_index )
8132	CALL get_variable( id_salsa, 'composition_name', aero_emission_att%cc_name, &
8133	aero_emission_att%ncc )
8134	!
8135	!-- Find the corresponding chemical components in the model
8136	aero_emission_att%cc_input_to_model = 0
8137	DO ic = 1, aero_emission_att%ncc
8138	in_name = aero_emission_att%cc_name(ic)
8139	SELECT CASE ( TRIM( in_name ) )
8140	CASE ( 'H2SO4', 'h2so4', 'SO4', 'so4' )
8141	aero_emission_att%cc_input_to_model(1) = ic
8142	CASE ( 'OC', 'oc', 'organics' )
8143	aero_emission_att%cc_input_to_model(2) = ic
8144	CASE ( 'BC', 'bc' )
8145	aero_emission_att%cc_input_to_model(3) = ic
8146	CASE ( 'DU', 'du' )
8147	aero_emission_att%cc_input_to_model(4) = ic
8148	CASE ( 'SS', 'ss' )
8149	aero_emission_att%cc_input_to_model(5) = ic
8150	CASE ( 'HNO3', 'hno3', 'NO', 'no' )
8151	aero_emission_att%cc_input_to_model(6) = ic
8152	CASE ( 'NH3', 'nh3', 'NH', 'nh' )
8153	aero_emission_att%cc_input_to_model(7) = ic
8154	END SELECT
8155
8156	ENDDO
8157
8158	IF ( SUM( aero_emission_att%cc_input_to_model ) == 0 ) THEN
8159	message_string = 'None of the aerosol chemical components in ' // TRIM( &
8160	input_file_salsa ) // ' correspond to the ones applied in SALSA.'
8161	CALL message( 'salsa_emission_setup', 'PA0630', 1, 2, 0, 6, 0 )
8162	ENDIF
8163	!
8164	!-- Inquire the fill value
8165	CALL get_attribute( id_salsa, '_FillValue', aero_emission%fill, .FALSE., &
8166	'aerosol_emission_values' )
8167	!
8168	!-- Inquire units of emissions
8169	CALL get_attribute( id_salsa, 'units', aero_emission_att%units, .FALSE., &
8170	'aerosol_emission_values' )
8171	!
8172	!-- Inquire the level of detail (lod)
8173	CALL get_attribute( id_salsa, 'lod', aero_emission_att%lod, .FALSE., &
8174	'aerosol_emission_values' )
8175	!
8176	!-- Variable names
8177	CALL inquire_num_variables( id_salsa, aero_emission_att%num_vars )
8178	ALLOCATE( aero_emission_att%var_names(1:aero_emission_att%num_vars) )
8179	CALL inquire_variable_names( id_salsa, aero_emission_att%var_names )
8180
8181	!
8182	!-- Read different emission information depending on the level of detail of emissions:
8183
8184	!
8185	!-- Default mode:
8186	IF ( aero_emission_att%lod == 1 ) THEN
8187	!
8188	!-- Unit conversion factor: convert to SI units (kg/m2/s)
8189	IF ( aero_emission_att%units == 'kg/m2/yr' ) THEN
8190	aero_emission_att%conversion_factor = 1.0_wp / 3600.0_wp
8191	ELSEIF ( aero_emission_att%units == 'g/m2/yr' ) THEN
8192	aero_emission_att%conversion_factor = 0.001_wp / 3600.0_wp
8193	ELSE
8194	message_string = 'unknown unit for aerosol emissions: ' // &
8195	TRIM( aero_emission_att%units ) // ' (lod1)'
8196	CALL message( 'salsa_emission_setup','PA0631', 1, 2, 0, 6, 0 )
8197	ENDIF
8198	!
8199	!-- Get number of emission categories and allocate emission arrays
8200	CALL netcdf_data_input_get_dimension_length( id_salsa, aero_emission_att%ncat, &
8201	'ncat' )
8202	ALLOCATE( aero_emission_att%cat_index(1:aero_emission_att%ncat), &
8203	aero_emission_att%rho(1:aero_emission_att%ncat), &
8204	aero_emission_att%time_factor(1:aero_emission_att%ncat) )
8205	!
8206	!-- Get emission category names and indices
8207	CALL get_variable( id_salsa, 'emission_category_name', aero_emission_att%cat_name, &
8208	aero_emission_att%ncat)
8209	CALL get_variable( id_salsa, 'emission_category_index', aero_emission_att%cat_index )
8210	!
8211	!-- Find corresponding emission categories
8212	DO in = 1, aero_emission_att%ncat
8213	in_name = aero_emission_att%cat_name(in)
8214	DO ss = 1, def_modes%ndc
8215	mod_name = def_modes%cat_name_table(ss)
8216	IF ( TRIM( in_name(1:4) ) == TRIM( mod_name(1:4 ) ) ) THEN
8217	def_modes%cat_input_to_model(ss) = in
8218	ENDIF
8219	ENDDO
8220	ENDDO
8221
8222	IF ( SUM( def_modes%cat_input_to_model ) == 0 ) THEN
8223	message_string = 'None of the emission categories in ' // TRIM( &
8224	input_file_salsa ) // ' match with the ones in the model.'
8225	CALL message( 'salsa_emission_setup', 'PA0632', 1, 2, 0, 6, 0 )
8226	ENDIF
8227	!
8228	!-- Emission time factors: Find check whether emission time factors are given for each
8229	!-- hour of year OR based on month, day and hour
8230	!
8231	!-- For each hour of year:
8232	IF ( check_existence( aero_emission_att%var_names, 'nhoursyear' ) ) THEN
8233	CALL netcdf_data_input_get_dimension_length( id_salsa, aero_emission_att%nhoursyear,&
8234	'nhoursyear' )
8235	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8236	1:aero_emission_att%nhoursyear) )
8237	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8238	0, aero_emission_att%nhoursyear-1, 0, aero_emission_att%ncat-1 )
8239	!
8240	!-- Based on the month, day and hour:
8241	ELSEIF ( check_existence( aero_emission_att%var_names, 'nmonthdayhour' ) ) THEN
8242	CALL netcdf_data_input_get_dimension_length( id_salsa, &
8243	aero_emission_att%nmonthdayhour, &
8244	'nmonthdayhour' )
8245	ALLOCATE( aero_emission_att%etf(1:aero_emission_att%ncat, &
8246	1:aero_emission_att%nmonthdayhour) )
8247	CALL get_variable( id_salsa, 'emission_time_factors', aero_emission_att%etf, &
8248	0, aero_emission_att%nmonthdayhour-1, 0, aero_emission_att%ncat-1 )
8249	ELSE
8250	message_string = 'emission_time_factors should be given for each nhoursyear ' //&
8251	'OR nmonthdayhour'
8252	CALL message( 'salsa_emission_setup','PA0633', 1, 2, 0, 6, 0 )
8253	ENDIF
8254	!
8255	!-- Next emission update
8256	next_aero_emission_update = MOD( time_utc_init, 3600.0_wp ) - 3600.0_wp
8257	!
8258	!-- Get chemical composition (i.e. mass fraction of different species) in aerosols
8259	ALLOCATE( aero_emission%def_mass_fracs(1:aero_emission_att%ncat, &
8260	1:aero_emission_att%ncc) )
8261	aero_emission%def_mass_fracs = 0.0_wp
8262	CALL get_variable( id_salsa, 'emission_mass_fracs', aero_emission%def_mass_fracs, &
8263	0, aero_emission_att%ncc-1, 0, aero_emission_att%ncat-1 )
8264	!
8265	!-- If the chemical component is not activated, set its mass fraction to 0 to avoid
8266	!-- inbalance between number and mass flux
8267	cc_i2m = aero_emission_att%cc_input_to_model
8268	IF ( index_so4 < 0 .AND. cc_i2m(1) /= 0 ) &
8269	aero_emission%def_mass_fracs(:,cc_i2m(1)) = 0.0_wp
8270	IF ( index_oc < 0 .AND. cc_i2m(2) /= 0 ) &
8271	aero_emission%def_mass_fracs(:,cc_i2m(2)) = 0.0_wp
8272	IF ( index_bc < 0 .AND. cc_i2m(3) /= 0 ) &
8273	aero_emission%def_mass_fracs(:,cc_i2m(3)) = 0.0_wp
8274	IF ( index_du < 0 .AND. cc_i2m(4) /= 0 ) &
8275	aero_emission%def_mass_fracs(:,cc_i2m(4)) = 0.0_wp
8276	IF ( index_ss < 0 .AND. cc_i2m(5) /= 0 ) &
8277	aero_emission%def_mass_fracs(:,cc_i2m(5)) = 0.0_wp
8278	IF ( index_no < 0 .AND. cc_i2m(6) /= 0 ) &
8279	aero_emission%def_mass_fracs(:,cc_i2m(6)) = 0.0_wp
8280	IF ( index_nh < 0 .AND. cc_i2m(7) /= 0 ) &
8281	aero_emission%def_mass_fracs(:,cc_i2m(7)) = 0.0_wp
8282	!
8283	!-- Then normalise the mass fraction so that SUM = 1
8284	DO in = 1, aero_emission_att%ncat
8285	aero_emission%def_mass_fracs(in,:) = aero_emission%def_mass_fracs(in,:) / &
8286	SUM( aero_emission%def_mass_fracs(in,:) )
8287	ENDDO
8288	!
8289	!-- Calculate average mass density (kg/m3)
8290	aero_emission_att%rho = 0.0_wp
8291
8292	IF ( cc_i2m(1) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoh2so4 *&
8293	aero_emission%def_mass_fracs(:,cc_i2m(1))
8294	IF ( cc_i2m(2) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhooc * &
8295	aero_emission%def_mass_fracs(:,cc_i2m(2))
8296	IF ( cc_i2m(3) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhobc * &
8297	aero_emission%def_mass_fracs(:,cc_i2m(3))
8298	IF ( cc_i2m(4) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhodu * &
8299	aero_emission%def_mass_fracs(:,cc_i2m(4))
8300	IF ( cc_i2m(5) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhoss * &
8301	aero_emission%def_mass_fracs(:,cc_i2m(5))
8302	IF ( cc_i2m(6) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhohno3 * &
8303	aero_emission%def_mass_fracs(:,cc_i2m(6))
8304	IF ( cc_i2m(7) /= 0 ) aero_emission_att%rho = aero_emission_att%rho + arhonh3 * &
8305	aero_emission%def_mass_fracs(:,cc_i2m(7))
8306	!
8307	!-- Allocate and read surface emission data (in total PM)
8308	ALLOCATE( aero_emission%def_data(nys:nyn,nxl:nxr,1:aero_emission_att%ncat) )
8309	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%def_data, &
8310	0, aero_emission_att%ncat-1, nxl, nxr, nys, nyn )
8311
8312	!
8313	!-- Pre-processed mode
8314	ELSEIF ( aero_emission_att%lod == 2 ) THEN
8315	!
8316	!-- Unit conversion factor: convert to SI units (#/m2/s)
8317	IF ( aero_emission_att%units == '#/m2/s' ) THEN
8318	aero_emission_att%conversion_factor = 1.0_wp
8319	ELSE
8320	message_string = 'unknown unit for aerosol emissions: ' // &
8321	TRIM( aero_emission_att%units )
8322	CALL message( 'salsa_emission_setup','PA0634', 1, 2, 0, 6, 0 )
8323	ENDIF
8324	!
8325	!-- Number of aerosol size bins in the emission data
8326	CALL netcdf_data_input_get_dimension_length( id_salsa, aero_emission_att%nbins, &
8327	'Dmid' )
8328	IF ( aero_emission_att%nbins /= nbins_aerosol ) THEN
8329	message_string = 'The number of size bins in aerosol input data does not ' // &
8330	'correspond to the model set-up'
8331	CALL message( 'salsa_emission_setup','PA0635', 1, 2, 0, 6, 0 )
8332	ENDIF
8333	!
8334	!-- Number of time steps in the emission data
8335	CALL netcdf_data_input_get_dimension_length( id_salsa, aero_emission_att%nt, 'time')
8336	!
8337	!-- Allocate bin diameters, time and mass fraction array
8338	ALLOCATE( aero_emission_att%dmid(1:nbins_aerosol), &
8339	aero_emission_att%time(1:aero_emission_att%nt), &
8340	aero_emission%preproc_mass_fracs(1:aero_emission_att%ncc) )
8341	!
8342	!-- Read mean diameters
8343	CALL get_variable( id_salsa, 'Dmid', aero_emission_att%dmid )
8344	!
8345	!-- Check whether the sectional representation of the aerosol size distribution conform
8346	!-- to the one applied in the model
8347	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - aero_emission_att%dmid ) / &
8348	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
8349	message_string = 'Mean diameters of size bins in ' // TRIM( input_file_salsa ) &
8350	// ' do not match with the ones in the model.'
8351	CALL message( 'salsa_emission_setup','PA0636', 1, 2, 0, 6, 0 )
8352	ENDIF
8353	!
8354	!-- Read time stamps:
8355	CALL get_variable( id_salsa, 'time', aero_emission_att%time )
8356	!
8357	!-- Read emission mass fractions
8358	CALL get_variable( id_salsa, 'emission_mass_fracs', aero_emission%preproc_mass_fracs )
8359	!
8360	!-- If the chemical component is not activated, set its mass fraction to 0
8361	cc_i2m = aero_emission_att%cc_input_to_model
8362	IF ( index_so4 < 0 .AND. cc_i2m(1) /= 0 ) &
8363	aero_emission%preproc_mass_fracs(cc_i2m(1)) = 0.0_wp
8364	IF ( index_oc < 0 .AND. cc_i2m(2) /= 0 ) &
8365	aero_emission%preproc_mass_fracs(cc_i2m(2)) = 0.0_wp
8366	IF ( index_bc < 0 .AND. cc_i2m(3) /= 0 ) &
8367	aero_emission%preproc_mass_fracs(cc_i2m(3)) = 0.0_wp
8368	IF ( index_du < 0 .AND. cc_i2m(4) /= 0 ) &
8369	aero_emission%preproc_mass_fracs(cc_i2m(4)) = 0.0_wp
8370	IF ( index_ss < 0 .AND. cc_i2m(5) /= 0 ) &
8371	aero_emission%preproc_mass_fracs(cc_i2m(5)) = 0.0_wp
8372	IF ( index_no < 0 .AND. cc_i2m(6) /= 0 ) &
8373	aero_emission%preproc_mass_fracs(cc_i2m(6)) = 0.0_wp
8374	IF ( index_nh < 0 .AND. cc_i2m(7) /= 0 ) &
8375	aero_emission%preproc_mass_fracs(cc_i2m(7)) = 0.0_wp
8376	!
8377	!-- Then normalise the mass fraction so that SUM = 1
8378	aero_emission%preproc_mass_fracs = aero_emission%preproc_mass_fracs / &
8379	SUM( aero_emission%preproc_mass_fracs )
8380
8381	ELSE
8382	message_string = 'Unknown lod for aerosol_emission_values.'
8383	CALL message( 'salsa_emission','PA0637', 1, 2, 0, 6, 0 )
8384	ENDIF
8385
8386	ENDIF ! init
8387	!
8388	!-- Define and set current emission values:
8389	!
8390	!-- Default type emissions (aerosol emission given as total mass emission per year):
8391	IF ( aero_emission_att%lod == 1 ) THEN
8392	!
8393	!-- Emission time factors for each emission category at current time step
8394	IF ( aero_emission_att%nhoursyear > aero_emission_att%nmonthdayhour ) THEN
8395	!
8396	!-- Get the index of the current hour
8397	CALL time_default_indices( month_of_year, day_of_month, hour_of_day, index_hh )
8398	aero_emission_att%time_factor = aero_emission_att%etf(:,index_hh)
8399
8400	ELSEIF ( aero_emission_att%nhoursyear < aero_emission_att%nmonthdayhour ) THEN
8401	!
8402	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
8403	!-- Needs to be calculated.)
8404	CALL time_default_indices( daytype, month_of_year, day_of_month, hour_of_day, &
8405	index_mm, index_dd, index_hh )
8406	aero_emission_att%time_factor = aero_emission_att%etf(:,index_mm) * &
8407	aero_emission_att%etf(:,index_dd) * &
8408	aero_emission_att%etf(:,index_hh)
8409	ENDIF
8410
8411	!
8412	!-- Create a sectional number size distribution for emissions
8413	ALLOCATE( nsect_emission(1:nbins_aerosol),source_array(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8414	DO in = 1, aero_emission_att%ncat
8415
8416	inn = def_modes%cat_input_to_model(in)
8417	!
8418	!-- Calculate the number concentration (1/m3) of a log-normal size distribution
8419	!-- following Jacobson (2005): Eq 13.25.
8420	def_modes%ntot_table = 6.0_wp * def_modes%pm_frac_table(:,inn) / ( pi * &
8421	( def_modes%dpg_table )*3 EXP( 4.5_wp * &
8422	LOG( def_modes%sigmag_table )**2 ) )
8423	!
8424	!-- Sectional size distibution (1/m3) from a log-normal one
8425	CALL size_distribution( def_modes%ntot_table, def_modes%dpg_table, &
8426	def_modes%sigmag_table, nsect_emission )
8427
8428	source_array = 0.0_wp
8429	DO ib = 1, nbins_aerosol
8430	source_array(:,:,ib) = aero_emission%def_data(:,:,in) * &
8431	aero_emission_att%conversion_factor / &
8432	aero_emission_att%rho(in) * nsect_emission(ib) * &
8433	aero_emission_att%time_factor(in)
8434	ENDDO
8435	!
8436	!-- Set surface fluxes of aerosol number and mass on horizontal surfaces. Set fluxes
8437	!-- only for either default, land or urban surface.
8438	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
8439	CALL set_flux( surf_def_h(0), aero_emission_att%cc_input_to_model, &
8440	aero_emission%def_mass_fracs(in,:), source_array )
8441	ELSE
8442	CALL set_flux( surf_usm_h, aero_emission_att%cc_input_to_model, &
8443	aero_emission%def_mass_fracs(in,:), source_array )
8444	CALL set_flux( surf_lsm_h, aero_emission_att%cc_input_to_model, &
8445	aero_emission%def_mass_fracs(in,:), source_array )
8446	ENDIF
8447	ENDDO
8448	!
8449	!-- The next emission update is again after one hour
8450	next_aero_emission_update = next_aero_emission_update + 3600.0_wp
8451
8452
8453	DEALLOCATE( source_array )
8454	!
8455	!-- Pre-processed:
8456	ELSEIF ( aero_emission_att%lod == 2 ) THEN
8457	!
8458	!-- Obtain time index for current input starting at 0.
8459	!-- @todo: At the moment emission data and simulated time correspond to each other.
8460	aero_emission_att%tind = MINLOC( ABS( aero_emission_att%time - &
8461	time_since_reference_point ), DIM = 1 ) - 1
8462	!
8463	!-- Allocate the data input array always before reading in the data and deallocate after
8464	ALLOCATE( aero_emission%preproc_data(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8465	!
8466	!-- Read in the next time step
8467	CALL get_variable( id_salsa, 'aerosol_emission_values', aero_emission%preproc_data,&
8468	aero_emission_att%tind, 0, nbins_aerosol-1, nxl, nxr, nys, nyn )
8469	!
8470	!-- Set surface fluxes of aerosol number and mass on horizontal surfaces. Set fluxes only
8471	!-- for either default, land and urban surface.
8472	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
8473	CALL set_flux( surf_def_h(0), aero_emission_att%cc_input_to_model, &
8474	aero_emission%preproc_mass_fracs, aero_emission%preproc_data )
8475	ELSE
8476	CALL set_flux( surf_usm_h, aero_emission_att%cc_input_to_model, &
8477	aero_emission%preproc_mass_fracs, aero_emission%preproc_data )
8478	CALL set_flux( surf_lsm_h, aero_emission_att%cc_input_to_model, &
8479	aero_emission%preproc_mass_fracs, aero_emission%preproc_data )
8480	ENDIF
8481	!
8482	!-- Determine the next emission update
8483	next_aero_emission_update = aero_emission_att%time(aero_emission_att%tind+2)
8484
8485	DEALLOCATE( aero_emission%preproc_data )
8486
8487	ENDIF
8488
8489	#else
8490	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' //&
8491	' __netcdf is not used in compiling!'
8492	CALL message( 'salsa_emission_setup', 'PA0638', 1, 2, 0, 6, 0 )
8493
8494	#endif
8495	CASE DEFAULT
8496	message_string = 'unknown salsa_emission_mode: ' // TRIM( salsa_emission_mode )
8497	CALL message( 'salsa_emission_setup', 'PA0639', 1, 2, 0, 6, 0 )
8498
8499	END SELECT
8500
8501	CONTAINS
8502
8503	!------------------------------------------------------------------------------!
8504	! Description:
8505	! ------------
8506	!> Sets the aerosol flux to aerosol arrays in 2a and 2b.
8507	!------------------------------------------------------------------------------!
8508	SUBROUTINE set_flux( surface, cc_i_mod, mass_fracs, source_array )
8509
8510	USE arrays_3d, &
8511	ONLY: rho_air_zw
8512
8513	USE surface_mod, &
8514	ONLY: surf_type
8515
8516	IMPLICIT NONE
8517
8518	INTEGER(iwp) :: i !< loop index
8519	INTEGER(iwp) :: ib !< loop index
8520	INTEGER(iwp) :: ic !< loop index
8521	INTEGER(iwp) :: j !< loop index
8522	INTEGER(iwp) :: k !< loop index
8523	INTEGER(iwp) :: m !< running index for surface elements
8524
8525	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of chemical component in the input data
8526
8527	REAL(wp) :: so4_oc !< mass fraction between SO4 and OC in 1a
8528
8529	REAL(wp), DIMENSION(:), INTENT(in) :: mass_fracs !< mass fractions of chemical components
8530
8531	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,1:nbins_aerosol), INTENT(inout) :: source_array !<
8532
8533	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
8534
8535	so4_oc = 0.0_wp
8536
8537	DO m = 1, surface%ns
8538	!
8539	!-- Get indices of respective grid point
8540	i = surface%i(m)
8541	j = surface%j(m)
8542	k = surface%k(m)
8543
8544	DO ib = 1, nbins_aerosol
8545	IF ( source_array(j,i,ib) < nclim ) THEN
8546	source_array(j,i,ib) = 0.0_wp
8547	ENDIF
8548	!
8549	!-- Set mass fluxes. First bins include only SO4 and/or OC.
8550	IF ( ib <= end_subrange_1a ) THEN
8551	!
8552	!-- Both sulphate and organic carbon
8553	IF ( index_so4 > 0 .AND. index_oc > 0 ) THEN
8554
8555	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
8556	so4_oc = mass_fracs(cc_i_mod(1)) / ( mass_fracs(cc_i_mod(1)) + &
8557	mass_fracs(cc_i_mod(2)) )
8558	surface%amsws(m,ic) = surface%amsws(m,ic) + so4_oc * source_array(j,i,ib) &
8559	* api6 * aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
8560	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
8561
8562	ic = ( index_oc - 1 ) * nbins_aerosol + ib
8563	surface%amsws(m,ic) = surface%amsws(m,ic) + ( 1-so4_oc ) * source_array(j,i,ib) &
8564	* api6 * aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
8565	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
8566	!
8567	!-- Only sulphates
8568	ELSEIF ( index_so4 > 0 .AND. index_oc < 0 ) THEN
8569	ic = ( index_so4 - 1 ) * nbins_aerosol + ib
8570	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
8571	aero(ib)%dmid*3 arhoh2so4 * rho_air_zw(k-1)
8572	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
8573	!
8574	!-- Only organic carbon
8575	ELSEIF ( index_so4 < 0 .AND. index_oc > 0 ) THEN
8576	ic = ( index_oc - 1 ) * nbins_aerosol + ib
8577	surface%amsws(m,ic) = surface%amsws(m,ic) + source_array(j,i,ib) * api6 * &
8578	aero(ib)%dmid*3 arhooc * rho_air_zw(k-1)
8579	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(m,ic)
8580	ENDIF
8581
8582	ELSE
8583	!
8584	!-- Sulphate
8585	IF ( index_so4 > 0 ) THEN
8586	ic = cc_i_mod(1)
8587	CALL set_mass_flux( surface, m, ib, index_so4, mass_fracs(ic), arhoh2so4, &
8588	source_array(j,i,ib) )
8589	ENDIF
8590	!
8591	!-- Organic carbon
8592	IF ( index_oc > 0 ) THEN
8593	ic = cc_i_mod(2)
8594	CALL set_mass_flux( surface, m, ib, index_oc, mass_fracs(ic),arhooc, &
8595	source_array(j,i,ib) )
8596	ENDIF
8597	!
8598	!-- Black carbon
8599	IF ( index_bc > 0 ) THEN
8600	ic = cc_i_mod(3)
8601	CALL set_mass_flux( surface, m, ib, index_bc, mass_fracs(ic), arhobc, &
8602	source_array(j,i,ib) )
8603	ENDIF
8604	!
8605	!-- Dust
8606	IF ( index_du > 0 ) THEN
8607	ic = cc_i_mod(4)
8608	CALL set_mass_flux( surface, m, ib, index_du, mass_fracs(ic), arhodu, &
8609	source_array(j,i,ib) )
8610	ENDIF
8611	!
8612	!-- Sea salt
8613	IF ( index_ss > 0 ) THEN
8614	ic = cc_i_mod(5)
8615	CALL set_mass_flux( surface, m, ib, index_ss, mass_fracs(ic), arhoss, &
8616	source_array(j,i,ib) )
8617	ENDIF
8618	!
8619	!-- Nitric acid
8620	IF ( index_no > 0 ) THEN
8621	ic = cc_i_mod(6)
8622	CALL set_mass_flux( surface, m, ib, index_no, mass_fracs(ic), arhohno3, &
8623	source_array(j,i,ib) )
8624	ENDIF
8625	!
8626	!-- Ammonia
8627	IF ( index_nh > 0 ) THEN
8628	ic = cc_i_mod(7)
8629	CALL set_mass_flux( surface, m, ib, index_nh, mass_fracs(ic), arhonh3, &
8630	source_array(j,i,ib) )
8631	ENDIF
8632
8633	ENDIF
8634	!
8635	!-- Save number fluxes in the end
8636	surface%answs(m,ib) = surface%answs(m,ib) + source_array(j,i,ib) * rho_air_zw(k-1)
8637	aerosol_number(ib)%source(j,i) = aerosol_number(ib)%source(j,i) + surface%answs(m,ib)
8638
8639	ENDDO ! ib
8640	ENDDO ! m
8641
8642	END SUBROUTINE set_flux
8643
8644	!------------------------------------------------------------------------------!
8645	! Description:
8646	! ------------
8647	!> Sets the mass emissions to aerosol arrays in 2a and 2b.
8648	!------------------------------------------------------------------------------!
8649	SUBROUTINE set_mass_flux( surface, surf_num, ib, ispec, mass_frac, prho, nsource )
8650
8651	USE arrays_3d, &
8652	ONLY: rho_air_zw
8653
8654	USE surface_mod, &
8655	ONLY: surf_type
8656
8657	IMPLICIT NONE
8658
8659	INTEGER(iwp) :: i !< loop index
8660	INTEGER(iwp) :: j !< loop index
8661	INTEGER(iwp) :: k !< loop index
8662	INTEGER(iwp) :: ic !< loop index
8663
8664	INTEGER(iwp), INTENT(in) :: ib !< Aerosol size bin index
8665	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
8666	INTEGER(iwp), INTENT(in) :: surf_num !< index surface elements
8667
8668	REAL(wp), INTENT(in) :: mass_frac !< mass fraction of a chemical compound in all bins
8669	REAL(wp), INTENT(in) :: nsource !< number source (#/m2/s)
8670	REAL(wp), INTENT(in) :: prho !< Aerosol density
8671
8672	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
8673	!
8674	!-- Get indices of respective grid point
8675	i = surface%i(surf_num)
8676	j = surface%j(surf_num)
8677	k = surface%k(surf_num)
8678	!
8679	!-- Subrange 2a:
8680	ic = ( ispec - 1 ) * nbins_aerosol + ib
8681	surface%amsws(surf_num,ic) = surface%amsws(surf_num,ic) + mass_frac * nsource * &
8682	aero(ib)%core * prho * rho_air_zw(k-1)
8683	aerosol_mass(ic)%source(j,i) = aerosol_mass(ic)%source(j,i) + surface%amsws(surf_num,ic)
8684	!
8685	!-- Subrange 2b:
8686	IF ( .NOT. no_insoluble ) THEN
8687	CALL location_message( ' salsa_mass_flux: All emissions are soluble!', .TRUE. )
8688	ENDIF
8689
8690	END SUBROUTINE set_mass_flux
8691
8692	END SUBROUTINE salsa_emission_setup
8693
8694	!------------------------------------------------------------------------------!
8695	! Description:
8696	! ------------
8697	!> Sets the gaseous fluxes
8698	!------------------------------------------------------------------------------!
8699	SUBROUTINE salsa_gas_emission_setup( init )
8700
8701	USE control_parameters, &
8702	ONLY: time_since_reference_point
8703
8704	USE date_and_time_mod, &
8705	ONLY: day_of_month, hour_of_day, index_dd, index_hh, index_mm, month_of_year, &
8706	time_default_indices, time_utc_init
8707
8708	USE netcdf_data_input_mod, &
8709	ONLY: check_existence, chem_emis_att_type, chem_emis_val_type, get_attribute, &
8710	get_variable, inquire_num_variables, inquire_variable_names, &
8711	netcdf_data_input_get_dimension_length, open_read_file
8712
8713	USE surface_mod, &
8714	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
8715
8716	IMPLICIT NONE
8717
8718	CHARACTER(LEN=80) :: daytype = 'workday' !< default day type
8719	CHARACTER(LEN=25) :: in_name !< name of a gas in the input file
8720
8721	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !< variable names in input data
8722
8723	INTEGER(iwp) :: id_chem !< NetCDF id of chemistry emission file
8724	INTEGER(iwp) :: ig !< loop index
8725	INTEGER(iwp) :: in !< running index for emission categories
8726	INTEGER(iwp) :: num_vars !< number of variables
8727
8728	LOGICAL :: netcdf_extend = .FALSE. !< NetCDF input file exists
8729
8730	LOGICAL, INTENT(in) :: init !< if .TRUE. --> initialisation call
8731
8732	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
8733
8734	TYPE(chem_emis_att_type) :: chem_emission_att !< chemistry emission attributes
8735	TYPE(chem_emis_val_type) :: chem_emission !< chemistry emission values
8736
8737	!
8738	!-- Reset surface fluxes
8739	surf_def_h(0)%gtsws = 0.0_wp
8740	surf_lsm_h%gtsws = 0.0_wp
8741	surf_usm_h%gtsws = 0.0_wp
8742
8743	#if defined( __netcdf )
8744	IF ( init ) THEN
8745	!
8746	!-- Check existence of PIDS_CHEM file
8747	INQUIRE( FILE = 'PIDS_CHEM' // TRIM( coupling_char ), EXIST = netcdf_extend )
8748	IF ( .NOT. netcdf_extend ) THEN
8749	message_string = 'Input file PIDS_CHEM' // TRIM( coupling_char ) // ' missing!'
8750	CALL message( 'salsa_gas_emission_setup', 'PA0640', 1, 2, 0, 6, 0 )
8751	ENDIF
8752	!
8753	!-- Open file in read-only mode
8754	CALL open_read_file( 'PIDS_CHEM' // TRIM( coupling_char ), id_chem )
8755	!
8756	!-- Read the index and name of chemical components
8757	CALL netcdf_data_input_get_dimension_length( id_chem, chem_emission_att%nspec, &
8758	'nspecies' )
8759	ALLOCATE( chem_emission_att%species_index(1:chem_emission_att%nspec) )
8760	CALL get_variable( id_chem, 'emission_index', chem_emission_att%species_index )
8761	CALL get_variable( id_chem, 'emission_name', chem_emission_att%species_name, &
8762	chem_emission_att%nspec )
8763	!
8764	!-- Find the corresponding indices in the model
8765	emission_index_chem = 0
8766	DO ig = 1, chem_emission_att%nspec
8767	in_name = chem_emission_att%species_name(ig)
8768	SELECT CASE ( TRIM( in_name ) )
8769	CASE ( 'H2SO4', 'h2so4' )
8770	emission_index_chem(1) = ig
8771	CASE ( 'HNO3', 'hno3' )
8772	emission_index_chem(2) = ig
8773	CASE ( 'NH3', 'nh3' )
8774	emission_index_chem(3) = ig
8775	CASE ( 'OCNV', 'ocnv' )
8776	emission_index_chem(4) = ig
8777	CASE ( 'OCSV', 'ocsv' )
8778	emission_index_chem(5) = ig
8779	END SELECT
8780	ENDDO
8781	IF ( SUM( emission_index_chem ) == 0 ) THEN
8782	CALL location_message( ' salsa_gas_emission_setup: no gas emissions', .TRUE. )
8783	ENDIF
8784	!
8785	!-- Inquire the fill value
8786	CALL get_attribute( id_chem, '_FillValue', aero_emission%fill, .FALSE., 'emission_values' )
8787	!
8788	!-- Inquire units of emissions
8789	CALL get_attribute( id_chem, 'units', chem_emission_att%units, .FALSE., 'emission_values' )
8790	!
8791	!-- Inquire the level of detail (lod)
8792	CALL get_attribute( id_chem, 'lod', lod_gas_emissions, .FALSE., 'emission_values' )
8793	!
8794	!-- Variable names
8795	CALL inquire_num_variables( id_chem, num_vars )
8796	ALLOCATE( var_names(1:num_vars) )
8797	CALL inquire_variable_names( id_chem, var_names )
8798	!
8799	!-- Default mode: as total emissions per year
8800	IF ( lod_gas_emissions == 1 ) THEN
8801
8802	!
8803	!-- Get number of emission categories and allocate emission arrays
8804	CALL netcdf_data_input_get_dimension_length( id_chem, chem_emission_att%ncat, 'ncat' )
8805	ALLOCATE( chem_emission_att%cat_index(1:chem_emission_att%ncat), &
8806	time_factor(1:chem_emission_att%ncat) )
8807	!
8808	!-- Get emission category names and indices
8809	CALL get_variable( id_chem, 'emission_category_name', chem_emission_att%cat_name, &
8810	chem_emission_att%ncat)
8811	CALL get_variable( id_chem, 'emission_category_index', chem_emission_att%cat_index )
8812	!
8813	!-- Emission time factors: Find check whether emission time factors are given for each hour
8814	!-- of year OR based on month, day and hour
8815	!
8816	!-- For each hour of year:
8817	IF ( check_existence( var_names, 'nhoursyear' ) ) THEN
8818	CALL netcdf_data_input_get_dimension_length( id_chem, chem_emission_att%nhoursyear, &
8819	'nhoursyear' )
8820	ALLOCATE( chem_emission_att%hourly_emis_time_factor(1:chem_emission_att%ncat, &
8821	1:chem_emission_att%nhoursyear) )
8822	CALL get_variable( id_chem, 'emission_time_factors', &
8823	chem_emission_att%hourly_emis_time_factor, &
8824	0, chem_emission_att%nhoursyear-1, 0, chem_emission_att%ncat-1 )
8825	!
8826	!-- Based on the month, day and hour:
8827	ELSEIF ( check_existence( var_names, 'nmonthdayhour' ) ) THEN
8828	CALL netcdf_data_input_get_dimension_length( id_chem, chem_emission_att%nmonthdayhour,&
8829	'nmonthdayhour' )
8830	ALLOCATE( chem_emission_att%mdh_emis_time_factor(1:chem_emission_att%ncat, &
8831	1:chem_emission_att%nmonthdayhour) )
8832	CALL get_variable( id_chem, 'emission_time_factors', &
8833	chem_emission_att%mdh_emis_time_factor, &
8834	0, chem_emission_att%nmonthdayhour-1, 0, chem_emission_att%ncat-1 )
8835	ELSE
8836	message_string = 'emission_time_factors should be given for each nhoursyear OR ' // &
8837	'nmonthdayhour'
8838	CALL message( 'salsa_gas_emission_setup','PA0641', 1, 2, 0, 6, 0 )
8839	ENDIF
8840	!
8841	!-- Next emission update
8842	next_gas_emission_update = MOD( time_utc_init, 3600.0_wp ) - 3600.0_wp
8843	!
8844	!-- Allocate and read surface emission data (in total PM) (NOTE that "preprocessed" input data
8845	!-- array is applied now here)
8846	ALLOCATE( chem_emission%preproc_emission_data(nys:nyn,nxl:nxr, 1:chem_emission_att%nspec,&
8847	1:chem_emission_att%ncat) )
8848	CALL get_variable( id_chem, 'emission_values', chem_emission%preproc_emission_data, &
8849	0, chem_emission_att%ncat-1, 0, chem_emission_att%nspec-1, &
8850	nxl, nxr, nys, nyn )
8851	!
8852	!-- Pre-processed mode:
8853	ELSEIF ( lod_gas_emissions == 2 ) THEN
8854	!
8855	!-- Number of time steps in the emission data
8856	CALL netcdf_data_input_get_dimension_length( id_chem, chem_emission_att%dt_emission, &
8857	'time' )
8858	!
8859	!-- Allocate and read time
8860	ALLOCATE( gas_emission_time(1:chem_emission_att%dt_emission) )
8861	CALL get_variable( id_chem, 'time', gas_emission_time )
8862	ELSE
8863	message_string = 'Unknown lod for emission_values.'
8864	CALL message( 'salsa_gas_emission_setup','PA0642', 1, 2, 0, 6, 0 )
8865	ENDIF ! lod
8866
8867	ENDIF ! init
8868	!
8869	!-- Define and set current emission values:
8870
8871	IF ( lod_gas_emissions == 1 ) THEN
8872	!
8873	!-- Emission time factors for each emission category at current time step
8874	IF ( chem_emission_att%nhoursyear > chem_emission_att%nmonthdayhour ) THEN
8875	!
8876	!-- Get the index of the current hour
8877	CALL time_default_indices( month_of_year, day_of_month, hour_of_day, index_hh )
8878	time_factor = chem_emission_att%hourly_emis_time_factor(:,index_hh)
8879
8880	ELSEIF ( chem_emission_att%nhoursyear < chem_emission_att%nmonthdayhour ) THEN
8881	!
8882	!-- Get the index of current hour (index_hh) (TODO: Now "workday" is always assumed.
8883	!-- Needs to be calculated.)
8884	CALL time_default_indices( daytype, month_of_year, day_of_month, hour_of_day, &
8885	index_mm, index_dd, index_hh )
8886	time_factor = chem_emission_att%mdh_emis_time_factor(:,index_mm) * &
8887	chem_emission_att%mdh_emis_time_factor(:,index_dd) * &
8888	chem_emission_att%mdh_emis_time_factor(:,index_hh)
8889	ENDIF
8890	!
8891	!-- Set gas emissions for each emission category
8892	DO in = 1, chem_emission_att%ncat
8893	!
8894	!-- Set surface fluxes only for either default, land or urban surface
8895	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
8896	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
8897	chem_emission%preproc_emission_data(:,:,:,in), time_factor(in) )
8898	ELSE
8899	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
8900	chem_emission%preproc_emission_data(:,:,:,in), time_factor(in) )
8901	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
8902	chem_emission%preproc_emission_data(:,:,:,in), time_factor(in) )
8903	ENDIF
8904	ENDDO
8905	!
8906	!-- The next emission update is again after one hour
8907	next_gas_emission_update = next_gas_emission_update + 3600.0_wp
8908
8909	ELSEIF ( lod_gas_emissions == 2 ) THEN
8910	!
8911	!-- Obtain time index for current input starting at 0.
8912	!-- @todo: At the moment emission data and simulated time correspond to each other.
8913	chem_emission_att%i_hour = MINLOC( ABS( gas_emission_time - time_since_reference_point ), &
8914	DIM = 1 ) - 1
8915	!
8916	!-- Allocate the data input array always before reading in the data and deallocate after (NOTE
8917	!-- that "preprocessed" input data array is applied now here)
8918	ALLOCATE( chem_emission%default_emission_data(nys:nyn,nxl:nxr,1:nbins_aerosol) )
8919	!
8920	!-- Read in the next time step
8921	CALL get_variable( id_chem, 'emission_values', chem_emission%default_emission_data, &
8922	chem_emission_att%i_hour, 0, chem_emission_att%nspec-1, nxl, nxr, nys, nyn )
8923	!
8924	!-- Set surface fluxes only for either default, land or urban surface
8925	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
8926	CALL set_gas_flux( surf_def_h(0), emission_index_chem, chem_emission_att%units, &
8927	chem_emission%default_emission_data )
8928	ELSE
8929	CALL set_gas_flux( surf_usm_h, emission_index_chem, chem_emission_att%units, &
8930	chem_emission%default_emission_data )
8931	CALL set_gas_flux( surf_lsm_h, emission_index_chem, chem_emission_att%units, &
8932	chem_emission%default_emission_data )
8933	ENDIF
8934	!
8935	!-- Determine the next emission update
8936	next_gas_emission_update = gas_emission_time(chem_emission_att%i_hour+2)
8937
8938	DEALLOCATE( chem_emission%default_emission_data )
8939	ENDIF
8940	#else
8941	message_string = 'salsa_emission_mode = "read_from_file", but preprocessor directive ' // &
8942	' __netcdf is not used in compiling!'
8943	CALL message( 'salsa_gas_emission_setup', 'PA0643', 1, 2, 0, 6, 0 )
8944
8945	#endif
8946
8947	CONTAINS
8948	!------------------------------------------------------------------------------!
8949	! Description:
8950	! ------------
8951	!> Set gas fluxes for selected type of surfaces
8952	!------------------------------------------------------------------------------!
8953	SUBROUTINE set_gas_flux( surface, cc_i_mod, unit, source_array, time_fac )
8954
8955	USE arrays_3d, &
8956	ONLY: dzw, hyp, pt, rho_air_zw
8957
8958	USE grid_variables, &
8959	ONLY: dx, dy
8960
8961	USE surface_mod, &
8962	ONLY: surf_type
8963
8964	IMPLICIT NONE
8965
8966	CHARACTER(LEN=*), INTENT(in) :: unit !< flux unit in the input file
8967
8968	INTEGER(iwp) :: ig !< running index for gases
8969	INTEGER(iwp) :: i !< loop index
8970	INTEGER(iwp) :: j !< loop index
8971	INTEGER(iwp) :: k !< loop index
8972	INTEGER(iwp) :: m !< running index for surface elements
8973
8974	INTEGER(iwp), DIMENSION(:) :: cc_i_mod !< index of different gases in the input data
8975
8976	LOGICAL :: use_time_fac !< .TRUE. is time_fac present
8977
8978	REAL(wp), OPTIONAL :: time_fac !< emission time factor
8979
8980	REAL(wp), DIMENSION(ngases_salsa) :: conv !< unit conversion factor
8981
8982	REAL(wp), DIMENSION(nys:nyn,nxl:nxr,chem_emission_att%nspec), INTENT(in) :: source_array !<
8983
8984	TYPE(surf_type), INTENT(inout) :: surface !< respective surface type
8985
8986	use_time_fac = PRESENT( time_fac )
8987
8988	DO m = 1, surface%ns
8989	!
8990	!-- Get indices of respective grid point
8991	i = surface%i(m)
8992	j = surface%j(m)
8993	k = surface%k(m)
8994	!
8995	!-- Unit conversion factor: convert to SI units (#/m2/s)
8996	SELECT CASE ( TRIM( unit ) )
8997	CASE ( 'kg/m2/yr' )
8998	conv(1) = avo / ( amh2so4 * 3600.0_wp )
8999	conv(2) = avo / ( amhno3 * 3600.0_wp )
9000	conv(3) = avo / ( amnh3 * 3600.0_wp )
9001	conv(4) = avo / ( amoc * 3600.0_wp )
9002	conv(5) = avo / ( amoc * 3600.0_wp )
9003	CASE ( 'g/m2/yr' )
9004	conv(1) = avo / ( amh2so4 * 3.6E+6_wp )
9005	conv(2) = avo / ( amhno3 * 3.6E+6_wp )
9006	conv(3) = avo / ( amnh3 * 3.6E+6_wp )
9007	conv(4) = avo / ( amoc * 3.6E+6_wp )
9008	conv(5) = avo / ( amoc * 3.6E+6_wp )
9009	CASE ( 'g/m2/s' )
9010	conv(1) = avo / ( amh2so4 * 1000.0_wp )
9011	conv(2) = avo / ( amhno3 * 1000.0_wp )
9012	conv(3) = avo / ( amnh3 * 1000.0_wp )
9013	conv(4) = avo / ( amoc * 1000.0_wp )
9014	conv(5) = avo / ( amoc * 1000.0_wp )
9015	CASE ( '#/m2/s' )
9016	conv = 1.0_wp
9017	CASE ( 'ppm/m2/s' )
9018	conv = for_ppm_to_nconc * hyp(k) / pt(k,j,i) * ( 1.0E5_wp / hyp(k) )*0.286_wp &
9019	dx * dy * dzw(k)
9020	CASE ( 'mumol/m2/s' )
9021	conv = 1.0E-6_wp * avo
9022	CASE DEFAULT
9023	message_string = 'unknown unit for gas emissions: ' // TRIM( chem_emission_att%units )
9024	CALL message( 'set_gas_flux','PA0644', 1, 2, 0, 6, 0 )
9025
9026	END SELECT
9027
9028	DO ig = 1, ngases_salsa
9029	IF ( use_time_fac ) THEN
9030	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) * time_fac &
9031	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9032	ELSE
9033	surface%gtsws(m,ig) = surface%gtsws(m,ig) + rho_air_zw(k-1) * conv(ig) &
9034	* MAX( 0.0_wp, source_array(j,i,cc_i_mod(ig) ) )
9035	ENDIF
9036	ENDDO ! ig
9037
9038	ENDDO ! m
9039
9040	END SUBROUTINE set_gas_flux
9041
9042	END SUBROUTINE salsa_gas_emission_setup
9043
9044	!------------------------------------------------------------------------------!
9045	! Description:
9046	! ------------
9047	!> Check data output for salsa.
9048	!------------------------------------------------------------------------------!
9049	SUBROUTINE salsa_check_data_output( var, unit )
9050
9051	USE control_parameters, &
9052	ONLY: message_string
9053
9054	IMPLICIT NONE
9055
9056	CHARACTER(LEN=*) :: unit !<
9057	CHARACTER(LEN=*) :: var !<
9058
9059	SELECT CASE ( TRIM( var ) )
9060
9061	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV', 'N_bin1', 'N_bin2', 'N_bin3', &
9062	'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', 'N_bin9', 'N_bin10', 'N_bin11', &
9063	'N_bin12', 'Ntot' )
9064	IF ( .NOT. salsa ) THEN
9065	message_string = 'output of "' // TRIM( var ) // '" requires salsa = .TRUE.'
9066	CALL message( 'check_parameters', 'PA0645', 1, 2, 0, 6, 0 )
9067	ENDIF
9068	unit = '#/m3'
9069
9070	CASE ( 'LDSA' )
9071	IF ( .NOT. salsa ) THEN
9072	message_string = 'output of "' // TRIM( var ) // '" requires salsa = .TRUE.'
9073	CALL message( 'check_parameters', 'PA0646', 1, 2, 0, 6, 0 )
9074	ENDIF
9075	unit = 'mum2/cm3'
9076
9077	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
9078	'm_bin9', 'm_bin10', 'm_bin11', 'm_bin12', 'PM2.5', 'PM10', 's_BC', 's_DU', &
9079	's_H2O', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
9080	IF ( .NOT. salsa ) THEN
9081	message_string = 'output of "' // TRIM( var ) // '" requires salsa = .TRUE.'
9082	CALL message( 'check_parameters', 'PA0647', 1, 2, 0, 6, 0 )
9083	ENDIF
9084	unit = 'kg/m3'
9085
9086	CASE DEFAULT
9087	unit = 'illegal'
9088
9089	END SELECT
9090
9091	END SUBROUTINE salsa_check_data_output
9092
9093	!------------------------------------------------------------------------------!
9094	!
9095	! Description:
9096	! ------------
9097	!> Subroutine for averaging 3D data
9098	!------------------------------------------------------------------------------!
9099	SUBROUTINE salsa_3d_data_averaging( mode, variable )
9100
9101	USE control_parameters
9102
9103	USE indices
9104
9105	USE kinds
9106
9107	IMPLICIT NONE
9108
9109	CHARACTER(LEN=*) :: mode !<
9110	CHARACTER(LEN=10) :: vari !<
9111	CHARACTER(LEN=*) :: variable !<
9112
9113	INTEGER(iwp) :: found_index !<
9114	INTEGER(iwp) :: i !<
9115	INTEGER(iwp) :: ib !<
9116	INTEGER(iwp) :: ic !<
9117	INTEGER(iwp) :: j !<
9118	INTEGER(iwp) :: k !<
9119
9120	REAL(wp) :: df !< For calculating LDSA: fraction of particles depositing in the alveolar
9121	!< (or tracheobronchial) region of the lung. Depends on the particle size
9122	REAL(wp) :: mean_d !< Particle diameter in micrometres
9123	REAL(wp) :: nc !< Particle number concentration in units 1/cm**3
9124	REAL(wp) :: temp_bin !< temporary variable
9125
9126	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< points to selected output variable
9127
9128	temp_bin = 0.0_wp
9129
9130	IF ( mode == 'allocate' ) THEN
9131
9132	SELECT CASE ( TRIM( variable ) )
9133
9134	CASE ( 'g_H2SO4' )
9135	IF ( .NOT. ALLOCATED( g_h2so4_av ) ) THEN
9136	ALLOCATE( g_h2so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9137	ENDIF
9138	g_h2so4_av = 0.0_wp
9139
9140	CASE ( 'g_HNO3' )
9141	IF ( .NOT. ALLOCATED( g_hno3_av ) ) THEN
9142	ALLOCATE( g_hno3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9143	ENDIF
9144	g_hno3_av = 0.0_wp
9145
9146	CASE ( 'g_NH3' )
9147	IF ( .NOT. ALLOCATED( g_nh3_av ) ) THEN
9148	ALLOCATE( g_nh3_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9149	ENDIF
9150	g_nh3_av = 0.0_wp
9151
9152	CASE ( 'g_OCNV' )
9153	IF ( .NOT. ALLOCATED( g_ocnv_av ) ) THEN
9154	ALLOCATE( g_ocnv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9155	ENDIF
9156	g_ocnv_av = 0.0_wp
9157
9158	CASE ( 'g_OCSV' )
9159	IF ( .NOT. ALLOCATED( g_ocsv_av ) ) THEN
9160	ALLOCATE( g_ocsv_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9161	ENDIF
9162	g_ocsv_av = 0.0_wp
9163
9164	CASE ( 'LDSA' )
9165	IF ( .NOT. ALLOCATED( ldsa_av ) ) THEN
9166	ALLOCATE( ldsa_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9167	ENDIF
9168	ldsa_av = 0.0_wp
9169
9170	CASE ( 'N_bin1', 'N_bin2', 'N_bin3', 'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', &
9171	'N_bin9', 'N_bin10', 'N_bin11', 'N_bin12' )
9172	IF ( .NOT. ALLOCATED( nbins_av ) ) THEN
9173	ALLOCATE( nbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
9174	ENDIF
9175	nbins_av = 0.0_wp
9176
9177	CASE ( 'Ntot' )
9178	IF ( .NOT. ALLOCATED( ntot_av ) ) THEN
9179	ALLOCATE( ntot_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9180	ENDIF
9181	ntot_av = 0.0_wp
9182
9183	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
9184	'm_bin9', 'm_bin10', 'm_bin11', 'm_bin12' )
9185	IF ( .NOT. ALLOCATED( mbins_av ) ) THEN
9186	ALLOCATE( mbins_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
9187	ENDIF
9188	mbins_av = 0.0_wp
9189
9190	CASE ( 'PM2.5' )
9191	IF ( .NOT. ALLOCATED( pm25_av ) ) THEN
9192	ALLOCATE( pm25_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9193	ENDIF
9194	pm25_av = 0.0_wp
9195
9196	CASE ( 'PM10' )
9197	IF ( .NOT. ALLOCATED( pm10_av ) ) THEN
9198	ALLOCATE( pm10_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9199	ENDIF
9200	pm10_av = 0.0_wp
9201
9202	CASE ( 's_BC' )
9203	IF ( .NOT. ALLOCATED( s_bc_av ) ) THEN
9204	ALLOCATE( s_bc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9205	ENDIF
9206	s_bc_av = 0.0_wp
9207
9208	CASE ( 's_DU' )
9209	IF ( .NOT. ALLOCATED( s_du_av ) ) THEN
9210	ALLOCATE( s_du_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9211	ENDIF
9212	s_du_av = 0.0_wp
9213
9214	CASE ( 's_H2O' )
9215	IF ( .NOT. ALLOCATED( s_h2o_av ) ) THEN
9216	ALLOCATE( s_h2o_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9217	ENDIF
9218	s_h2o_av = 0.0_wp
9219
9220	CASE ( 's_NH' )
9221	IF ( .NOT. ALLOCATED( s_nh_av ) ) THEN
9222	ALLOCATE( s_nh_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9223	ENDIF
9224	s_nh_av = 0.0_wp
9225
9226	CASE ( 's_NO' )
9227	IF ( .NOT. ALLOCATED( s_no_av ) ) THEN
9228	ALLOCATE( s_no_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9229	ENDIF
9230	s_no_av = 0.0_wp
9231
9232	CASE ( 's_OC' )
9233	IF ( .NOT. ALLOCATED( s_oc_av ) ) THEN
9234	ALLOCATE( s_oc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9235	ENDIF
9236	s_oc_av = 0.0_wp
9237
9238	CASE ( 's_SO4' )
9239	IF ( .NOT. ALLOCATED( s_so4_av ) ) THEN
9240	ALLOCATE( s_so4_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9241	ENDIF
9242	s_so4_av = 0.0_wp
9243
9244	CASE ( 's_SS' )
9245	IF ( .NOT. ALLOCATED( s_ss_av ) ) THEN
9246	ALLOCATE( s_ss_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
9247	ENDIF
9248	s_ss_av = 0.0_wp
9249
9250	CASE DEFAULT
9251	CONTINUE
9252
9253	END SELECT
9254
9255	ELSEIF ( mode == 'sum' ) THEN
9256
9257	SELECT CASE ( TRIM( variable ) )
9258
9259	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9260
9261	vari = TRIM( variable(3:) )
9262
9263	SELECT CASE( vari )
9264
9265	CASE( 'H2SO4' )
9266	found_index = 1
9267	to_be_resorted => g_h2so4_av
9268
9269	CASE( 'HNO3' )
9270	found_index = 2
9271	to_be_resorted => g_hno3_av
9272
9273	CASE( 'NH3' )
9274	found_index = 3
9275	to_be_resorted => g_nh3_av
9276
9277	CASE( 'OCNV' )
9278	found_index = 4
9279	to_be_resorted => g_ocnv_av
9280
9281	CASE( 'OCSN' )
9282	found_index = 5
9283	to_be_resorted => g_ocsv_av
9284
9285	END SELECT
9286
9287	DO i = nxlg, nxrg
9288	DO j = nysg, nyng
9289	DO k = nzb, nzt+1
9290	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
9291	salsa_gas(found_index)%conc(k,j,i)
9292	ENDDO
9293	ENDDO
9294	ENDDO
9295
9296	CASE ( 'LDSA' )
9297	DO i = nxlg, nxrg
9298	DO j = nysg, nyng
9299	DO k = nzb, nzt+1
9300	temp_bin = 0.0_wp
9301	DO ib = 1, nbins_aerosol
9302	!
9303	!-- Diameter in micrometres
9304	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
9305	!
9306	!-- Deposition factor: alveolar (use ra_dry)
9307	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
9308	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
9309	1.362_wp )**2 ) )
9310	!
9311	!-- Number concentration in 1/cm3
9312	nc = 1.0E-6_wp * aerosol_number(ib)%conc(k,j,i)
9313	!
9314	!-- Lung-deposited surface area LDSA (units mum2/cm3)
9315	temp_bin = temp_bin + pi * mean_d*2 df * nc
9316	ENDDO
9317	ldsa_av(k,j,i) = ldsa_av(k,j,i) + temp_bin
9318	ENDDO
9319	ENDDO
9320	ENDDO
9321
9322	CASE ( 'N_bin1', 'N_bin2', 'N_bin3', 'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', &
9323	'N_bin9', 'N_bin10', 'N_bin11', 'N_bin12' )
9324	DO i = nxlg, nxrg
9325	DO j = nysg, nyng
9326	DO k = nzb, nzt+1
9327	DO ib = 1, nbins_aerosol
9328	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) + aerosol_number(ib)%conc(k,j,i)
9329	ENDDO
9330	ENDDO
9331	ENDDO
9332	ENDDO
9333
9334	CASE ( 'Ntot' )
9335	DO i = nxlg, nxrg
9336	DO j = nysg, nyng
9337	DO k = nzb, nzt+1
9338	DO ib = 1, nbins_aerosol
9339	ntot_av(k,j,i) = ntot_av(k,j,i) + aerosol_number(ib)%conc(k,j,i)
9340	ENDDO
9341	ENDDO
9342	ENDDO
9343	ENDDO
9344
9345	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
9346	'm_bin9', 'm_bin10', 'm_bin11', 'm_bin12' )
9347	DO i = nxlg, nxrg
9348	DO j = nysg, nyng
9349	DO k = nzb, nzt+1
9350	DO ib = 1, nbins_aerosol
9351	DO ic = ib, nbins_aerosol * ncomponents_mass, nbins_aerosol
9352	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) + aerosol_mass(ic)%conc(k,j,i)
9353	ENDDO
9354	ENDDO
9355	ENDDO
9356	ENDDO
9357	ENDDO
9358
9359	CASE ( 'PM2.5' )
9360	DO i = nxlg, nxrg
9361	DO j = nysg, nyng
9362	DO k = nzb, nzt+1
9363	temp_bin = 0.0_wp
9364	DO ib = 1, nbins_aerosol
9365	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
9366	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9367	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9368	ENDDO
9369	ENDIF
9370	ENDDO
9371	pm25_av(k,j,i) = pm25_av(k,j,i) + temp_bin
9372	ENDDO
9373	ENDDO
9374	ENDDO
9375
9376	CASE ( 'PM10' )
9377	DO i = nxlg, nxrg
9378	DO j = nysg, nyng
9379	DO k = nzb, nzt+1
9380	temp_bin = 0.0_wp
9381	DO ib = 1, nbins_aerosol
9382	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
9383	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9384	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9385	ENDDO
9386	ENDIF
9387	ENDDO
9388	pm10_av(k,j,i) = pm10_av(k,j,i) + temp_bin
9389	ENDDO
9390	ENDDO
9391	ENDDO
9392
9393	CASE ( 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
9394	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
9395	found_index = get_index( prtcl, TRIM( variable(3:) ) )
9396	IF ( TRIM( variable(3:) ) == 'BC' ) to_be_resorted => s_bc_av
9397	IF ( TRIM( variable(3:) ) == 'DU' ) to_be_resorted => s_du_av
9398	IF ( TRIM( variable(3:) ) == 'NH' ) to_be_resorted => s_nh_av
9399	IF ( TRIM( variable(3:) ) == 'NO' ) to_be_resorted => s_no_av
9400	IF ( TRIM( variable(3:) ) == 'OC' ) to_be_resorted => s_oc_av
9401	IF ( TRIM( variable(3:) ) == 'SO4' ) to_be_resorted => s_so4_av
9402	IF ( TRIM( variable(3:) ) == 'SS' ) to_be_resorted => s_ss_av
9403	DO i = nxlg, nxrg
9404	DO j = nysg, nyng
9405	DO k = nzb, nzt+1
9406	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
9407	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) + &
9408	aerosol_mass(ic)%conc(k,j,i)
9409	ENDDO
9410	ENDDO
9411	ENDDO
9412	ENDDO
9413	ENDIF
9414
9415	CASE DEFAULT
9416	CONTINUE
9417
9418	END SELECT
9419
9420	ELSEIF ( mode == 'average' ) THEN
9421
9422	SELECT CASE ( TRIM( variable ) )
9423
9424	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9425	IF ( TRIM( variable(3:) ) == 'H2SO4' ) THEN
9426	found_index = 1
9427	to_be_resorted => g_h2so4_av
9428	ELSEIF ( TRIM( variable(3:) ) == 'HNO3' ) THEN
9429	found_index = 2
9430	to_be_resorted => g_hno3_av
9431	ELSEIF ( TRIM( variable(3:) ) == 'NH3' ) THEN
9432	found_index = 3
9433	to_be_resorted => g_nh3_av
9434	ELSEIF ( TRIM( variable(3:) ) == 'OCNV' ) THEN
9435	found_index = 4
9436	to_be_resorted => g_ocnv_av
9437	ELSEIF ( TRIM( variable(3:) ) == 'OCSV' ) THEN
9438	found_index = 5
9439	to_be_resorted => g_ocsv_av
9440	ENDIF
9441	DO i = nxlg, nxrg
9442	DO j = nysg, nyng
9443	DO k = nzb, nzt+1
9444	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
9445	REAL( average_count_3d, KIND=wp )
9446	ENDDO
9447	ENDDO
9448	ENDDO
9449
9450	CASE ( 'LDSA' )
9451	DO i = nxlg, nxrg
9452	DO j = nysg, nyng
9453	DO k = nzb, nzt+1
9454	ldsa_av(k,j,i) = ldsa_av(k,j,i) / REAL( average_count_3d, KIND=wp )
9455	ENDDO
9456	ENDDO
9457	ENDDO
9458
9459	CASE ( 'N_bin1', 'N_bin2', 'N_bin3', 'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', &
9460	'N_bin9', 'N_bin10', 'N_bin11', 'N_bin12' )
9461	DO i = nxlg, nxrg
9462	DO j = nysg, nyng
9463	DO k = nzb, nzt+1
9464	DO ib = 1, nbins_aerosol
9465	nbins_av(k,j,i,ib) = nbins_av(k,j,i,ib) / REAL( average_count_3d, KIND=wp )
9466	ENDDO
9467	ENDDO
9468	ENDDO
9469	ENDDO
9470
9471	CASE ( 'Ntot' )
9472	DO i = nxlg, nxrg
9473	DO j = nysg, nyng
9474	DO k = nzb, nzt+1
9475	ntot_av(k,j,i) = ntot_av(k,j,i) / REAL( average_count_3d, KIND=wp )
9476	ENDDO
9477	ENDDO
9478	ENDDO
9479
9480	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
9481	'm_bin9', 'm_bin10', 'm_bin11', 'm_bin12' )
9482	DO i = nxlg, nxrg
9483	DO j = nysg, nyng
9484	DO k = nzb, nzt+1
9485	DO ib = 1, nbins_aerosol
9486	DO ic = ib, nbins_aerosol * ncomponents_mass, nbins_aerosol
9487	mbins_av(k,j,i,ib) = mbins_av(k,j,i,ib) / &
9488	REAL( average_count_3d, KIND=wp)
9489	ENDDO
9490	ENDDO
9491	ENDDO
9492	ENDDO
9493	ENDDO
9494
9495	CASE ( 'PM2.5' )
9496	DO i = nxlg, nxrg
9497	DO j = nysg, nyng
9498	DO k = nzb, nzt+1
9499	pm25_av(k,j,i) = pm25_av(k,j,i) / REAL( average_count_3d, KIND=wp )
9500	ENDDO
9501	ENDDO
9502	ENDDO
9503
9504	CASE ( 'PM10' )
9505	DO i = nxlg, nxrg
9506	DO j = nysg, nyng
9507	DO k = nzb, nzt+1
9508	pm10_av(k,j,i) = pm10_av(k,j,i) / REAL( average_count_3d, KIND=wp )
9509	ENDDO
9510	ENDDO
9511	ENDDO
9512
9513	CASE ( 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
9514	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
9515	found_index = get_index( prtcl, TRIM( variable(3:) ) )
9516	IF ( TRIM( variable(3:) ) == 'BC' ) to_be_resorted => s_bc_av
9517	IF ( TRIM( variable(3:) ) == 'DU' ) to_be_resorted => s_du_av
9518	IF ( TRIM( variable(3:) ) == 'NH' ) to_be_resorted => s_nh_av
9519	IF ( TRIM( variable(3:) ) == 'NO' ) to_be_resorted => s_no_av
9520	IF ( TRIM( variable(3:) ) == 'OC' ) to_be_resorted => s_oc_av
9521	IF ( TRIM( variable(3:) ) == 'SO4' ) to_be_resorted => s_so4_av
9522	IF ( TRIM( variable(3:) ) == 'SS' ) to_be_resorted => s_ss_av
9523	DO i = nxlg, nxrg
9524	DO j = nysg, nyng
9525	DO k = nzb, nzt+1
9526	to_be_resorted(k,j,i) = to_be_resorted(k,j,i) / &
9527	REAL( average_count_3d, KIND=wp )
9528	ENDDO
9529	ENDDO
9530	ENDDO
9531	ENDIF
9532
9533	END SELECT
9534
9535	ENDIF
9536
9537	END SUBROUTINE salsa_3d_data_averaging
9538
9539
9540	!------------------------------------------------------------------------------!
9541	!
9542	! Description:
9543	! ------------
9544	!> Subroutine defining 2D output variables
9545	!------------------------------------------------------------------------------!
9546	SUBROUTINE salsa_data_output_2d( av, variable, found, grid, mode, local_pf, two_d, nzb_do, nzt_do )
9547
9548	USE indices
9549
9550	USE kinds
9551
9552
9553	IMPLICIT NONE
9554
9555	CHARACTER(LEN=*) :: grid !<
9556	CHARACTER(LEN=*) :: mode !<
9557	CHARACTER(LEN=*) :: variable !<
9558	CHARACTER(LEN=5) :: vari !< trimmed format of variable
9559
9560	INTEGER(iwp) :: av !<
9561	INTEGER(iwp) :: found_index !< index of a chemical compound
9562	INTEGER(iwp) :: i !<
9563	INTEGER(iwp) :: ib !< running index: size bins
9564	INTEGER(iwp) :: ic !< running index: mass bins
9565	INTEGER(iwp) :: j !<
9566	INTEGER(iwp) :: k !<
9567	INTEGER(iwp) :: nzb_do !<
9568	INTEGER(iwp) :: nzt_do !<
9569
9570	LOGICAL :: found !<
9571	LOGICAL :: two_d !< flag parameter to indicate 2D variables (horizontal cross sections)
9572
9573	REAL(wp) :: df !< For calculating LDSA: fraction of particles
9574	!< depositing in the alveolar (or tracheobronchial)
9575	!< region of the lung. Depends on the particle size
9576	REAL(wp) :: fill_value = -9999.0_wp !< value for the _FillValue attribute
9577	REAL(wp) :: mean_d !< Particle diameter in micrometres
9578	REAL(wp) :: nc !< Particle number concentration in units 1/cm**3
9579	REAL(wp) :: temp_bin !< temporary array for calculating output variables
9580
9581	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< output
9582
9583	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
9584	!
9585	!-- Next statement is to avoid compiler warning about unused variable. May be removed in future.
9586	IF ( two_d ) CONTINUE
9587
9588	found = .TRUE.
9589	temp_bin = 0.0_wp
9590
9591	SELECT CASE ( TRIM( variable( 1:LEN( TRIM( variable ) ) - 3 ) ) ) ! cut out _xy, _xz or _yz
9592
9593	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9594	vari = TRIM( variable( 3:LEN( TRIM( variable ) ) - 3 ) )
9595	IF ( av == 0 ) THEN
9596	IF ( vari == 'H2SO4') found_index = 1
9597	IF ( vari == 'HNO3') found_index = 2
9598	IF ( vari == 'NH3') found_index = 3
9599	IF ( vari == 'OCNV') found_index = 4
9600	IF ( vari == 'OCSV') found_index = 5
9601	DO i = nxl, nxr
9602	DO j = nys, nyn
9603	DO k = nzb_do, nzt_do
9604	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), REAL( fill_value, &
9605	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
9606	ENDDO
9607	ENDDO
9608	ENDDO
9609	ELSE
9610	IF ( vari == 'H2SO4' ) to_be_resorted => g_h2so4_av
9611	IF ( vari == 'HNO3' ) to_be_resorted => g_hno3_av
9612	IF ( vari == 'NH3' ) to_be_resorted => g_nh3_av
9613	IF ( vari == 'OCNV' ) to_be_resorted => g_ocnv_av
9614	IF ( vari == 'OCSV' ) to_be_resorted => g_ocsv_av
9615	DO i = nxl, nxr
9616	DO j = nys, nyn
9617	DO k = nzb_do, nzt_do
9618	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
9619	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
9620	ENDDO
9621	ENDDO
9622	ENDDO
9623	ENDIF
9624
9625	IF ( mode == 'xy' ) grid = 'zu'
9626
9627	CASE ( 'LDSA' )
9628	IF ( av == 0 ) THEN
9629	DO i = nxl, nxr
9630	DO j = nys, nyn
9631	DO k = nzb_do, nzt_do
9632	temp_bin = 0.0_wp
9633	DO ib = 1, nbins_aerosol
9634	!
9635	!-- Diameter in micrometres
9636	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
9637	!
9638	!-- Deposition factor: alveolar
9639	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
9640	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
9641	1.362_wp )**2 ) )
9642	!
9643	!-- Number concentration in 1/cm3
9644	nc = 1.0E-6_wp * aerosol_number(ib)%conc(k,j,i)
9645	!
9646	!-- Lung-deposited surface area LDSA (units mum2/cm3)
9647	temp_bin = temp_bin + pi * mean_d*2 df * nc
9648	ENDDO
9649
9650	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9651	BTEST( wall_flags_0(k,j,i), 0 ) )
9652	ENDDO
9653	ENDDO
9654	ENDDO
9655	ELSE
9656	DO i = nxl, nxr
9657	DO j = nys, nyn
9658	DO k = nzb_do, nzt_do
9659	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
9660	BTEST( wall_flags_0(k,j,i), 0 ) )
9661	ENDDO
9662	ENDDO
9663	ENDDO
9664	ENDIF
9665
9666	IF ( mode == 'xy' ) grid = 'zu'
9667
9668	CASE ( 'N_bin1', 'N_bin2', 'N_bin3', 'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', &
9669	'N_bin9', 'N_bin10' , 'N_bin11', 'N_bin12' )
9670	vari = TRIM( variable( 6:LEN( TRIM( variable ) ) - 3 ) )
9671
9672	IF ( vari == '1' ) ib = 1
9673	IF ( vari == '2' ) ib = 2
9674	IF ( vari == '3' ) ib = 3
9675	IF ( vari == '4' ) ib = 4
9676	IF ( vari == '5' ) ib = 5
9677	IF ( vari == '6' ) ib = 6
9678	IF ( vari == '7' ) ib = 7
9679	IF ( vari == '8' ) ib = 8
9680	IF ( vari == '9' ) ib = 9
9681	IF ( vari == '10' ) ib = 10
9682	IF ( vari == '11' ) ib = 11
9683	IF ( vari == '12' ) ib = 12
9684
9685	IF ( av == 0 ) THEN
9686	DO i = nxl, nxr
9687	DO j = nys, nyn
9688	DO k = nzb_do, nzt_do
9689	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
9690	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
9691	ENDDO
9692	ENDDO
9693	ENDDO
9694	ELSE
9695	DO i = nxl, nxr
9696	DO j = nys, nyn
9697	DO k = nzb_do, nzt_do
9698	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
9699	BTEST( wall_flags_0(k,j,i), 0 ) )
9700	ENDDO
9701	ENDDO
9702	ENDDO
9703	ENDIF
9704
9705	IF ( mode == 'xy' ) grid = 'zu'
9706
9707	CASE ( 'Ntot' )
9708
9709	IF ( av == 0 ) THEN
9710	DO i = nxl, nxr
9711	DO j = nys, nyn
9712	DO k = nzb_do, nzt_do
9713	temp_bin = 0.0_wp
9714	DO ib = 1, nbins_aerosol
9715	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
9716	ENDDO
9717	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9718	BTEST( wall_flags_0(k,j,i), 0 ) )
9719	ENDDO
9720	ENDDO
9721	ENDDO
9722	ELSE
9723	DO i = nxl, nxr
9724	DO j = nys, nyn
9725	DO k = nzb_do, nzt_do
9726	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
9727	BTEST( wall_flags_0(k,j,i), 0 ) )
9728	ENDDO
9729	ENDDO
9730	ENDDO
9731	ENDIF
9732
9733	IF ( mode == 'xy' ) grid = 'zu'
9734
9735	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
9736	'm_bin9', 'm_bin10' , 'm_bin11', 'm_bin12' )
9737	vari = TRIM( variable( 6:LEN( TRIM( variable ) ) - 3 ) )
9738
9739	IF ( vari == '1' ) ib = 1
9740	IF ( vari == '2' ) ib = 2
9741	IF ( vari == '3' ) ib = 3
9742	IF ( vari == '4' ) ib = 4
9743	IF ( vari == '5' ) ib = 5
9744	IF ( vari == '6' ) ib = 6
9745	IF ( vari == '7' ) ib = 7
9746	IF ( vari == '8' ) ib = 8
9747	IF ( vari == '9' ) ib = 9
9748	IF ( vari == '10' ) ib = 10
9749	IF ( vari == '11' ) ib = 11
9750	IF ( vari == '12' ) ib = 12
9751
9752	IF ( av == 0 ) THEN
9753	DO i = nxl, nxr
9754	DO j = nys, nyn
9755	DO k = nzb_do, nzt_do
9756	temp_bin = 0.0_wp
9757	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
9758	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9759	ENDDO
9760	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9761	BTEST( wall_flags_0(k,j,i), 0 ) )
9762	ENDDO
9763	ENDDO
9764	ENDDO
9765	ELSE
9766	DO i = nxl, nxr
9767	DO j = nys, nyn
9768	DO k = nzb_do, nzt_do
9769	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
9770	BTEST( wall_flags_0(k,j,i), 0 ) )
9771	ENDDO
9772	ENDDO
9773	ENDDO
9774	ENDIF
9775
9776	IF ( mode == 'xy' ) grid = 'zu'
9777
9778	CASE ( 'PM2.5' )
9779	IF ( av == 0 ) THEN
9780	DO i = nxl, nxr
9781	DO j = nys, nyn
9782	DO k = nzb_do, nzt_do
9783	temp_bin = 0.0_wp
9784	DO ib = 1, nbins_aerosol
9785	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
9786	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9787	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9788	ENDDO
9789	ENDIF
9790	ENDDO
9791	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9792	BTEST( wall_flags_0(k,j,i), 0 ) )
9793	ENDDO
9794	ENDDO
9795	ENDDO
9796	ELSE
9797	DO i = nxl, nxr
9798	DO j = nys, nyn
9799	DO k = nzb_do, nzt_do
9800	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
9801	BTEST( wall_flags_0(k,j,i), 0 ) )
9802	ENDDO
9803	ENDDO
9804	ENDDO
9805	ENDIF
9806
9807	IF ( mode == 'xy' ) grid = 'zu'
9808
9809	CASE ( 'PM10' )
9810	IF ( av == 0 ) THEN
9811	DO i = nxl, nxr
9812	DO j = nys, nyn
9813	DO k = nzb_do, nzt_do
9814	temp_bin = 0.0_wp
9815	DO ib = 1, nbins_aerosol
9816	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
9817	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
9818	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9819	ENDDO
9820	ENDIF
9821	ENDDO
9822	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9823	BTEST( wall_flags_0(k,j,i), 0 ) )
9824	ENDDO
9825	ENDDO
9826	ENDDO
9827	ELSE
9828	DO i = nxl, nxr
9829	DO j = nys, nyn
9830	DO k = nzb_do, nzt_do
9831	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
9832	BTEST( wall_flags_0(k,j,i), 0 ) )
9833	ENDDO
9834	ENDDO
9835	ENDDO
9836	ENDIF
9837
9838	IF ( mode == 'xy' ) grid = 'zu'
9839
9840	CASE ( 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
9841	vari = TRIM( variable( 3:LEN( TRIM( variable ) ) - 3 ) )
9842	IF ( is_used( prtcl, vari ) ) THEN
9843	found_index = get_index( prtcl, vari )
9844	IF ( av == 0 ) THEN
9845	DO i = nxl, nxr
9846	DO j = nys, nyn
9847	DO k = nzb_do, nzt_do
9848	temp_bin = 0.0_wp
9849	DO ic = ( found_index-1 ) * nbins_aerosol+1, found_index * nbins_aerosol
9850	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
9851	ENDDO
9852	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9853	BTEST( wall_flags_0(k,j,i), 0 ) )
9854	ENDDO
9855	ENDDO
9856	ENDDO
9857	ELSE
9858	IF ( vari == 'BC' ) to_be_resorted => s_bc_av
9859	IF ( vari == 'DU' ) to_be_resorted => s_du_av
9860	IF ( vari == 'NH' ) to_be_resorted => s_nh_av
9861	IF ( vari == 'NO' ) to_be_resorted => s_no_av
9862	IF ( vari == 'OC' ) to_be_resorted => s_oc_av
9863	IF ( vari == 'SO4' ) to_be_resorted => s_so4_av
9864	IF ( vari == 'SS' ) to_be_resorted => s_ss_av
9865	DO i = nxl, nxr
9866	DO j = nys, nyn
9867	DO k = nzb_do, nzt_do
9868	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
9869	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
9870	ENDDO
9871	ENDDO
9872	ENDDO
9873	ENDIF
9874	ELSE
9875	local_pf = fill_value
9876	ENDIF
9877
9878	IF ( mode == 'xy' ) grid = 'zu'
9879
9880	CASE DEFAULT
9881	found = .FALSE.
9882	grid = 'none'
9883
9884	END SELECT
9885
9886	END SUBROUTINE salsa_data_output_2d
9887
9888	!------------------------------------------------------------------------------!
9889	!
9890	! Description:
9891	! ------------
9892	!> Subroutine defining 3D output variables
9893	!------------------------------------------------------------------------------!
9894	SUBROUTINE salsa_data_output_3d( av, variable, found, local_pf, nzb_do, nzt_do )
9895
9896	USE indices
9897
9898	USE kinds
9899
9900
9901	IMPLICIT NONE
9902
9903	CHARACTER(LEN=*), INTENT(in) :: variable !<
9904
9905	INTEGER(iwp) :: av !<
9906	INTEGER(iwp) :: found_index !< index of a chemical compound
9907	INTEGER(iwp) :: ib !< running index: size bins
9908	INTEGER(iwp) :: ic !< running index: mass bins
9909	INTEGER(iwp) :: i !<
9910	INTEGER(iwp) :: j !<
9911	INTEGER(iwp) :: k !<
9912	INTEGER(iwp) :: nzb_do !<
9913	INTEGER(iwp) :: nzt_do !<
9914
9915	LOGICAL :: found !<
9916
9917	REAL(wp) :: df !< For calculating LDSA: fraction of particles
9918	!< depositing in the alveolar (or tracheobronchial)
9919	!< region of the lung. Depends on the particle size
9920	REAL(wp) :: fill_value = -9999.0_wp !< value for the _FillValue attribute
9921	REAL(wp) :: mean_d !< Particle diameter in micrometres
9922	REAL(wp) :: nc !< Particle number concentration in units 1/cm**3
9923	REAL(wp) :: temp_bin !< temporary array for calculating output variables
9924
9925	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf !< local
9926
9927	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
9928
9929	found = .TRUE.
9930	temp_bin = 0.0_wp
9931
9932	SELECT CASE ( TRIM( variable ) )
9933
9934	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
9935	IF ( av == 0 ) THEN
9936	IF ( TRIM( variable ) == 'g_H2SO4') found_index = 1
9937	IF ( TRIM( variable ) == 'g_HNO3') found_index = 2
9938	IF ( TRIM( variable ) == 'g_NH3') found_index = 3
9939	IF ( TRIM( variable ) == 'g_OCNV') found_index = 4
9940	IF ( TRIM( variable ) == 'g_OCSV') found_index = 5
9941
9942	DO i = nxl, nxr
9943	DO j = nys, nyn
9944	DO k = nzb_do, nzt_do
9945	local_pf(i,j,k) = MERGE( salsa_gas(found_index)%conc(k,j,i), &
9946	REAL( fill_value, KIND = wp ), &
9947	BTEST( wall_flags_0(k,j,i), 0 ) )
9948	ENDDO
9949	ENDDO
9950	ENDDO
9951	ELSE
9952	IF ( TRIM( variable(3:) ) == 'H2SO4' ) to_be_resorted => g_h2so4_av
9953	IF ( TRIM( variable(3:) ) == 'HNO3' ) to_be_resorted => g_hno3_av
9954	IF ( TRIM( variable(3:) ) == 'NH3' ) to_be_resorted => g_nh3_av
9955	IF ( TRIM( variable(3:) ) == 'OCNV' ) to_be_resorted => g_ocnv_av
9956	IF ( TRIM( variable(3:) ) == 'OCSV' ) to_be_resorted => g_ocsv_av
9957	DO i = nxl, nxr
9958	DO j = nys, nyn
9959	DO k = nzb_do, nzt_do
9960	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
9961	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
9962	ENDDO
9963	ENDDO
9964	ENDDO
9965	ENDIF
9966
9967	CASE ( 'LDSA' )
9968	IF ( av == 0 ) THEN
9969	DO i = nxl, nxr
9970	DO j = nys, nyn
9971	DO k = nzb_do, nzt_do
9972	temp_bin = 0.0_wp
9973	DO ib = 1, nbins_aerosol
9974	!
9975	!-- Diameter in micrometres
9976	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
9977	!
9978	!-- Deposition factor: alveolar
9979	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
9980	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
9981	1.362_wp )**2 ) )
9982	!
9983	!-- Number concentration in 1/cm3
9984	nc = 1.0E-6_wp * aerosol_number(ib)%conc(k,j,i)
9985	!
9986	!-- Lung-deposited surface area LDSA (units mum2/cm3)
9987	temp_bin = temp_bin + pi * mean_d*2 df * nc
9988	ENDDO
9989	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
9990	BTEST( wall_flags_0(k,j,i), 0 ) )
9991	ENDDO
9992	ENDDO
9993	ENDDO
9994	ELSE
9995	DO i = nxl, nxr
9996	DO j = nys, nyn
9997	DO k = nzb_do, nzt_do
9998	local_pf(i,j,k) = MERGE( ldsa_av(k,j,i), REAL( fill_value, KIND = wp ), &
9999	BTEST( wall_flags_0(k,j,i), 0 ) )
10000	ENDDO
10001	ENDDO
10002	ENDDO
10003	ENDIF
10004
10005	CASE ( 'N_bin1', 'N_bin2', 'N_bin3', 'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', &
10006	'N_bin9', 'N_bin10', 'N_bin11', 'N_bin12' )
10007	IF ( TRIM( variable(6:) ) == '1' ) ib = 1
10008	IF ( TRIM( variable(6:) ) == '2' ) ib = 2
10009	IF ( TRIM( variable(6:) ) == '3' ) ib = 3
10010	IF ( TRIM( variable(6:) ) == '4' ) ib = 4
10011	IF ( TRIM( variable(6:) ) == '5' ) ib = 5
10012	IF ( TRIM( variable(6:) ) == '6' ) ib = 6
10013	IF ( TRIM( variable(6:) ) == '7' ) ib = 7
10014	IF ( TRIM( variable(6:) ) == '8' ) ib = 8
10015	IF ( TRIM( variable(6:) ) == '9' ) ib = 9
10016	IF ( TRIM( variable(6:) ) == '10' ) ib = 10
10017	IF ( TRIM( variable(6:) ) == '11' ) ib = 11
10018	IF ( TRIM( variable(6:) ) == '12' ) ib = 12
10019
10020	IF ( av == 0 ) THEN
10021	DO i = nxl, nxr
10022	DO j = nys, nyn
10023	DO k = nzb_do, nzt_do
10024	local_pf(i,j,k) = MERGE( aerosol_number(ib)%conc(k,j,i), REAL( fill_value, &
10025	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10026	ENDDO
10027	ENDDO
10028	ENDDO
10029	ELSE
10030	DO i = nxl, nxr
10031	DO j = nys, nyn
10032	DO k = nzb_do, nzt_do
10033	local_pf(i,j,k) = MERGE( nbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10034	BTEST( wall_flags_0(k,j,i), 0 ) )
10035	ENDDO
10036	ENDDO
10037	ENDDO
10038	ENDIF
10039
10040	CASE ( 'Ntot' )
10041	IF ( av == 0 ) THEN
10042	DO i = nxl, nxr
10043	DO j = nys, nyn
10044	DO k = nzb_do, nzt_do
10045	temp_bin = 0.0_wp
10046	DO ib = 1, nbins_aerosol
10047	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10048	ENDDO
10049	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10050	BTEST( wall_flags_0(k,j,i), 0 ) )
10051	ENDDO
10052	ENDDO
10053	ENDDO
10054	ELSE
10055	DO i = nxl, nxr
10056	DO j = nys, nyn
10057	DO k = nzb_do, nzt_do
10058	local_pf(i,j,k) = MERGE( ntot_av(k,j,i), REAL( fill_value, KIND = wp ), &
10059	BTEST( wall_flags_0(k,j,i), 0 ) )
10060	ENDDO
10061	ENDDO
10062	ENDDO
10063	ENDIF
10064
10065	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
10066	'm_bin9', 'm_bin10' , 'm_bin11', 'm_bin12' )
10067	IF ( TRIM( variable(6:) ) == '1' ) ib = 1
10068	IF ( TRIM( variable(6:) ) == '2' ) ib = 2
10069	IF ( TRIM( variable(6:) ) == '3' ) ib = 3
10070	IF ( TRIM( variable(6:) ) == '4' ) ib = 4
10071	IF ( TRIM( variable(6:) ) == '5' ) ib = 5
10072	IF ( TRIM( variable(6:) ) == '6' ) ib = 6
10073	IF ( TRIM( variable(6:) ) == '7' ) ib = 7
10074	IF ( TRIM( variable(6:) ) == '8' ) ib = 8
10075	IF ( TRIM( variable(6:) ) == '9' ) ib = 9
10076	IF ( TRIM( variable(6:) ) == '10' ) ib = 10
10077	IF ( TRIM( variable(6:) ) == '11' ) ib = 11
10078	IF ( TRIM( variable(6:) ) == '12' ) ib = 12
10079
10080	IF ( av == 0 ) THEN
10081	DO i = nxl, nxr
10082	DO j = nys, nyn
10083	DO k = nzb_do, nzt_do
10084	temp_bin = 0.0_wp
10085	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
10086	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10087	ENDDO
10088	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10089	BTEST( wall_flags_0(k,j,i), 0 ) )
10090	ENDDO
10091	ENDDO
10092	ENDDO
10093	ELSE
10094	DO i = nxl, nxr
10095	DO j = nys, nyn
10096	DO k = nzb_do, nzt_do
10097	local_pf(i,j,k) = MERGE( mbins_av(k,j,i,ib), REAL( fill_value, KIND = wp ), &
10098	BTEST( wall_flags_0(k,j,i), 0 ) )
10099	ENDDO
10100	ENDDO
10101	ENDDO
10102	ENDIF
10103
10104	CASE ( 'PM2.5' )
10105	IF ( av == 0 ) THEN
10106	DO i = nxl, nxr
10107	DO j = nys, nyn
10108	DO k = nzb_do, nzt_do
10109	temp_bin = 0.0_wp
10110	DO ib = 1, nbins_aerosol
10111	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10112	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10113	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10114	ENDDO
10115	ENDIF
10116	ENDDO
10117	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10118	BTEST( wall_flags_0(k,j,i), 0 ) )
10119	ENDDO
10120	ENDDO
10121	ENDDO
10122	ELSE
10123	DO i = nxl, nxr
10124	DO j = nys, nyn
10125	DO k = nzb_do, nzt_do
10126	local_pf(i,j,k) = MERGE( pm25_av(k,j,i), REAL( fill_value, KIND = wp ), &
10127	BTEST( wall_flags_0(k,j,i), 0 ) )
10128	ENDDO
10129	ENDDO
10130	ENDDO
10131	ENDIF
10132
10133	CASE ( 'PM10' )
10134	IF ( av == 0 ) THEN
10135	DO i = nxl, nxr
10136	DO j = nys, nyn
10137	DO k = nzb_do, nzt_do
10138	temp_bin = 0.0_wp
10139	DO ib = 1, nbins_aerosol
10140	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10141	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10142	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10143	ENDDO
10144	ENDIF
10145	ENDDO
10146	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10147	BTEST( wall_flags_0(k,j,i), 0 ) )
10148	ENDDO
10149	ENDDO
10150	ENDDO
10151	ELSE
10152	DO i = nxl, nxr
10153	DO j = nys, nyn
10154	DO k = nzb_do, nzt_do
10155	local_pf(i,j,k) = MERGE( pm10_av(k,j,i), REAL( fill_value, KIND = wp ), &
10156	BTEST( wall_flags_0(k,j,i), 0 ) )
10157	ENDDO
10158	ENDDO
10159	ENDDO
10160	ENDIF
10161
10162	CASE ( 's_BC', 's_DU', 's_H2O', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10163	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
10164	found_index = get_index( prtcl, TRIM( variable(3:) ) )
10165	IF ( av == 0 ) THEN
10166	DO i = nxl, nxr
10167	DO j = nys, nyn
10168	DO k = nzb_do, nzt_do
10169	temp_bin = 0.0_wp
10170	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10171	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10172	ENDDO
10173	local_pf(i,j,k) = MERGE( temp_bin, REAL( fill_value, KIND = wp ), &
10174	BTEST( wall_flags_0(k,j,i), 0 ) )
10175	ENDDO
10176	ENDDO
10177	ENDDO
10178	ELSE
10179	IF ( TRIM( variable(3:) ) == 'BC' ) to_be_resorted => s_bc_av
10180	IF ( TRIM( variable(3:) ) == 'DU' ) to_be_resorted => s_du_av
10181	IF ( TRIM( variable(3:) ) == 'NH' ) to_be_resorted => s_nh_av
10182	IF ( TRIM( variable(3:) ) == 'NO' ) to_be_resorted => s_no_av
10183	IF ( TRIM( variable(3:) ) == 'OC' ) to_be_resorted => s_oc_av
10184	IF ( TRIM( variable(3:) ) == 'SO4' ) to_be_resorted => s_so4_av
10185	IF ( TRIM( variable(3:) ) == 'SS' ) to_be_resorted => s_ss_av
10186	DO i = nxl, nxr
10187	DO j = nys, nyn
10188	DO k = nzb_do, nzt_do
10189	local_pf(i,j,k) = MERGE( to_be_resorted(k,j,i), REAL( fill_value, &
10190	KIND = wp ), BTEST( wall_flags_0(k,j,i), 0 ) )
10191	ENDDO
10192	ENDDO
10193	ENDDO
10194	ENDIF
10195	ENDIF
10196
10197	CASE DEFAULT
10198	found = .FALSE.
10199
10200	END SELECT
10201
10202	END SUBROUTINE salsa_data_output_3d
10203
10204	!------------------------------------------------------------------------------!
10205	!
10206	! Description:
10207	! ------------
10208	!> Subroutine defining mask output variables
10209	!------------------------------------------------------------------------------!
10210	SUBROUTINE salsa_data_output_mask( av, variable, found, local_pf )
10211
10212	USE arrays_3d, &
10213	ONLY: tend
10214
10215	USE control_parameters, &
10216	ONLY: mask_size_l, mask_surface, mid
10217
10218	USE surface_mod, &
10219	ONLY: get_topography_top_index_ji
10220
10221	IMPLICIT NONE
10222
10223	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grid
10224	CHARACTER(LEN=*) :: variable !<
10225	CHARACTER(LEN=7) :: vari !< trimmed format of variable
10226
10227	INTEGER(iwp) :: av !<
10228	INTEGER(iwp) :: found_index !< index of a chemical compound
10229	INTEGER(iwp) :: ib !< loop index for aerosol size number bins
10230	INTEGER(iwp) :: ic !< loop index for chemical components
10231	INTEGER(iwp) :: i !< loop index in x-direction
10232	INTEGER(iwp) :: j !< loop index in y-direction
10233	INTEGER(iwp) :: k !< loop index in z-direction
10234	INTEGER(iwp) :: topo_top_ind !< k index of highest horizontal surface
10235
10236	LOGICAL :: found !<
10237	LOGICAL :: resorted !<
10238
10239	REAL(wp) :: df !< For calculating LDSA: fraction of particles
10240	!< depositing in the alveolar (or tracheobronchial)
10241	!< region of the lung. Depends on the particle size
10242	REAL(wp) :: mean_d !< Particle diameter in micrometres
10243	REAL(wp) :: nc !< Particle number concentration in units 1/cm**3
10244	REAL(wp) :: temp_bin !< temporary array for calculating output variables
10245
10246	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: local_pf !<
10247
10248	REAL(wp), DIMENSION(:,:,:), POINTER :: to_be_resorted !< pointer
10249
10250	found = .TRUE.
10251	resorted = .FALSE.
10252	grid = 's'
10253	temp_bin = 0.0_wp
10254
10255	SELECT CASE ( TRIM( variable ) )
10256
10257	CASE ( 'g_H2SO4', 'g_HNO3', 'g_NH3', 'g_OCNV', 'g_OCSV' )
10258	vari = TRIM( variable )
10259	IF ( av == 0 ) THEN
10260	IF ( vari == 'g_H2SO4') to_be_resorted => salsa_gas(1)%conc
10261	IF ( vari == 'g_HNO3') to_be_resorted => salsa_gas(2)%conc
10262	IF ( vari == 'g_NH3') to_be_resorted => salsa_gas(3)%conc
10263	IF ( vari == 'g_OCNV') to_be_resorted => salsa_gas(4)%conc
10264	IF ( vari == 'g_OCSV') to_be_resorted => salsa_gas(5)%conc
10265	ELSE
10266	IF ( vari == 'g_H2SO4') to_be_resorted => g_h2so4_av
10267	IF ( vari == 'g_HNO3') to_be_resorted => g_hno3_av
10268	IF ( vari == 'g_NH3') to_be_resorted => g_nh3_av
10269	IF ( vari == 'g_OCNV') to_be_resorted => g_ocnv_av
10270	IF ( vari == 'g_OCSV') to_be_resorted => g_ocsv_av
10271	ENDIF
10272
10273	CASE ( 'LDSA' )
10274	IF ( av == 0 ) THEN
10275	DO i = nxl, nxr
10276	DO j = nys, nyn
10277	DO k = nzb, nz_do3d
10278	temp_bin = 0.0_wp
10279	DO ib = 1, nbins_aerosol
10280	!
10281	!-- Diameter in micrometres
10282	mean_d = 1.0E+6_wp * ra_dry(k,j,i,ib) * 2.0_wp
10283	!
10284	!-- Deposition factor: alveolar
10285	df = ( 0.01555_wp / mean_d ) * ( EXP( -0.416_wp * ( LOG( mean_d ) + &
10286	2.84_wp )*2 ) + 19.11_wp EXP( -0.482_wp * ( LOG( mean_d ) - &
10287	1.362_wp )**2 ) )
10288	!
10289	!-- Number concentration in 1/cm3
10290	nc = 1.0E-6_wp * aerosol_number(ib)%conc(k,j,i)
10291	!
10292	!-- Lung-deposited surface area LDSA (units mum2/cm3)
10293	temp_bin = temp_bin + pi * mean_d*2 df * nc
10294	ENDDO
10295	tend(k,j,i) = temp_bin
10296	ENDDO
10297	ENDDO
10298	ENDDO
10299	IF ( .NOT. mask_surface(mid) ) THEN
10300	DO i = 1, mask_size_l(mid,1)
10301	DO j = 1, mask_size_l(mid,2)
10302	DO k = 1, mask_size_l(mid,3)
10303	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
10304	ENDDO
10305	ENDDO
10306	ENDDO
10307	ELSE
10308	DO i = 1, mask_size_l(mid,1)
10309	DO j = 1, mask_size_l(mid,2)
10310	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10311	grid )
10312	DO k = 1, mask_size_l(mid,3)
10313	local_pf(i,j,k) = tend( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10314	mask_j(mid,j), mask_i(mid,i) )
10315	ENDDO
10316	ENDDO
10317	ENDDO
10318	ENDIF
10319	resorted = .TRUE.
10320	ELSE
10321	to_be_resorted => ldsa_av
10322	ENDIF
10323
10324	CASE ( 'N_bin1', 'N_bin2', 'N_bin3', 'N_bin4', 'N_bin5', 'N_bin6', 'N_bin7', 'N_bin8', &
10325	'N_bin9', 'N_bin10' , 'N_bin11', 'N_bin12' )
10326	IF ( TRIM( variable(6:) ) == '1' ) ib = 1
10327	IF ( TRIM( variable(6:) ) == '2' ) ib = 2
10328	IF ( TRIM( variable(6:) ) == '3' ) ib = 3
10329	IF ( TRIM( variable(6:) ) == '4' ) ib = 4
10330	IF ( TRIM( variable(6:) ) == '5' ) ib = 5
10331	IF ( TRIM( variable(6:) ) == '6' ) ib = 6
10332	IF ( TRIM( variable(6:) ) == '7' ) ib = 7
10333	IF ( TRIM( variable(6:) ) == '8' ) ib = 8
10334	IF ( TRIM( variable(6:) ) == '9' ) ib = 9
10335	IF ( TRIM( variable(6:) ) == '10' ) ib = 10
10336	IF ( TRIM( variable(6:) ) == '11' ) ib = 11
10337	IF ( TRIM( variable(6:) ) == '12' ) ib = 12
10338
10339	IF ( av == 0 ) THEN
10340	IF ( .NOT. mask_surface(mid) ) THEN
10341	DO i = 1, mask_size_l(mid,1)
10342	DO j = 1, mask_size_l(mid,2)
10343	DO k = 1, mask_size_l(mid,3)
10344	local_pf(i,j,k) = aerosol_number(ib)%conc( mask_k(mid,k), mask_j(mid,j), &
10345	mask_i(mid,i) )
10346	ENDDO
10347	ENDDO
10348	ENDDO
10349	ELSE
10350	DO i = 1, mask_size_l(mid,1)
10351	DO j = 1, mask_size_l(mid,2)
10352	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10353	grid )
10354	DO k = 1, mask_size_l(mid,3)
10355	local_pf(i,j,k) = aerosol_number(ib)%conc(MIN( topo_top_ind+mask_k(mid,k),&
10356	nzt+1 ), &
10357	mask_j(mid,j), mask_i(mid,i) )
10358	ENDDO
10359	ENDDO
10360	ENDDO
10361	ENDIF
10362	resorted = .TRUE.
10363	ELSE
10364	to_be_resorted => nbins_av(:,:,:,ib)
10365	ENDIF
10366
10367	CASE ( 'Ntot' )
10368	IF ( av == 0 ) THEN
10369	DO i = nxl, nxr
10370	DO j = nys, nyn
10371	DO k = nzb, nz_do3d
10372	temp_bin = 0.0_wp
10373	DO ib = 1, nbins_aerosol
10374	temp_bin = temp_bin + aerosol_number(ib)%conc(k,j,i)
10375	ENDDO
10376	tend(k,j,i) = temp_bin
10377	ENDDO
10378	ENDDO
10379	ENDDO
10380	IF ( .NOT. mask_surface(mid) ) THEN
10381	DO i = 1, mask_size_l(mid,1)
10382	DO j = 1, mask_size_l(mid,2)
10383	DO k = 1, mask_size_l(mid,3)
10384	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
10385	ENDDO
10386	ENDDO
10387	ENDDO
10388	ELSE
10389	DO i = 1, mask_size_l(mid,1)
10390	DO j = 1, mask_size_l(mid,2)
10391	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10392	grid )
10393	DO k = 1, mask_size_l(mid,3)
10394	local_pf(i,j,k) = tend( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10395	mask_j(mid,j), mask_i(mid,i) )
10396	ENDDO
10397	ENDDO
10398	ENDDO
10399	ENDIF
10400	resorted = .TRUE.
10401	ELSE
10402	to_be_resorted => ntot_av
10403	ENDIF
10404
10405	CASE ( 'm_bin1', 'm_bin2', 'm_bin3', 'm_bin4', 'm_bin5', 'm_bin6', 'm_bin7', 'm_bin8', &
10406	'm_bin9', 'm_bin10', 'm_bin11', 'm_bin12' )
10407	IF ( TRIM( variable(6:) ) == '1' ) ib = 1
10408	IF ( TRIM( variable(6:) ) == '2' ) ib = 2
10409	IF ( TRIM( variable(6:) ) == '3' ) ib = 3
10410	IF ( TRIM( variable(6:) ) == '4' ) ib = 4
10411	IF ( TRIM( variable(6:) ) == '5' ) ib = 5
10412	IF ( TRIM( variable(6:) ) == '6' ) ib = 6
10413	IF ( TRIM( variable(6:) ) == '7' ) ib = 7
10414	IF ( TRIM( variable(6:) ) == '8' ) ib = 8
10415	IF ( TRIM( variable(6:) ) == '9' ) ib = 9
10416	IF ( TRIM( variable(6:) ) == '10' ) ib = 10
10417	IF ( TRIM( variable(6:) ) == '11' ) ib = 11
10418	IF ( TRIM( variable(6:) ) == '12' ) ib = 12
10419
10420	IF ( av == 0 ) THEN
10421	DO i = nxl, nxr
10422	DO j = nys, nyn
10423	DO k = nzb, nz_do3d
10424	temp_bin = 0.0_wp
10425	DO ic = ib, ncomponents_mass * nbins_aerosol, nbins_aerosol
10426	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10427	ENDDO
10428	tend(k,j,i) = temp_bin
10429	ENDDO
10430	ENDDO
10431	ENDDO
10432	IF ( .NOT. mask_surface(mid) ) THEN
10433	DO i = 1, mask_size_l(mid,1)
10434	DO j = 1, mask_size_l(mid,2)
10435	DO k = 1, mask_size_l(mid,3)
10436	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
10437	ENDDO
10438	ENDDO
10439	ENDDO
10440	ELSE
10441	DO i = 1, mask_size_l(mid,1)
10442	DO j = 1, mask_size_l(mid,2)
10443	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10444	grid )
10445	DO k = 1, mask_size_l(mid,3)
10446	local_pf(i,j,k) = tend( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10447	mask_j(mid,j), mask_i(mid,i) )
10448	ENDDO
10449	ENDDO
10450	ENDDO
10451	ENDIF
10452	resorted = .TRUE.
10453	ELSE
10454	to_be_resorted => mbins_av(:,:,:,ib)
10455	ENDIF
10456
10457	CASE ( 'PM2.5' )
10458	IF ( av == 0 ) THEN
10459	DO i = nxl, nxr
10460	DO j = nys, nyn
10461	DO k = nzb, nz_do3d
10462	temp_bin = 0.0_wp
10463	DO ib = 1, nbins_aerosol
10464	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 2.5E-6_wp ) THEN
10465	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10466	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10467	ENDDO
10468	ENDIF
10469	ENDDO
10470	tend(k,j,i) = temp_bin
10471	ENDDO
10472	ENDDO
10473	ENDDO
10474	IF ( .NOT. mask_surface(mid) ) THEN
10475	DO i = 1, mask_size_l(mid,1)
10476	DO j = 1, mask_size_l(mid,2)
10477	DO k = 1, mask_size_l(mid,3)
10478	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
10479	ENDDO
10480	ENDDO
10481	ENDDO
10482	ELSE
10483	DO i = 1, mask_size_l(mid,1)
10484	DO j = 1, mask_size_l(mid,2)
10485	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10486	grid )
10487	DO k = 1, mask_size_l(mid,3)
10488	local_pf(i,j,k) = tend( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10489	mask_j(mid,j), mask_i(mid,i) )
10490	ENDDO
10491	ENDDO
10492	ENDDO
10493	ENDIF
10494	resorted = .TRUE.
10495	ELSE
10496	to_be_resorted => pm25_av
10497	ENDIF
10498
10499	CASE ( 'PM10' )
10500	IF ( av == 0 ) THEN
10501	DO i = nxl, nxr
10502	DO j = nys, nyn
10503	DO k = nzb, nz_do3d
10504	temp_bin = 0.0_wp
10505	DO ib = 1, nbins_aerosol
10506	IF ( 2.0_wp * ra_dry(k,j,i,ib) <= 10.0E-6_wp ) THEN
10507	DO ic = ib, nbins_aerosol * ncc, nbins_aerosol
10508	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10509	ENDDO
10510	ENDIF
10511	ENDDO
10512	tend(k,j,i) = temp_bin
10513	ENDDO
10514	ENDDO
10515	ENDDO
10516	IF ( .NOT. mask_surface(mid) ) THEN
10517	DO i = 1, mask_size_l(mid,1)
10518	DO j = 1, mask_size_l(mid,2)
10519	DO k = 1, mask_size_l(mid,3)
10520	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
10521	ENDDO
10522	ENDDO
10523	ENDDO
10524	ELSE
10525	DO i = 1, mask_size_l(mid,1)
10526	DO j = 1, mask_size_l(mid,2)
10527	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10528	grid )
10529	DO k = 1, mask_size_l(mid,3)
10530	local_pf(i,j,k) = tend( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10531	mask_j(mid,j), mask_i(mid,i) )
10532	ENDDO
10533	ENDDO
10534	ENDDO
10535	ENDIF
10536	resorted = .TRUE.
10537	ELSE
10538	to_be_resorted => pm10_av
10539	ENDIF
10540
10541	CASE ( 's_BC', 's_DU', 's_NH', 's_NO', 's_OC', 's_SO4', 's_SS' )
10542	IF ( av == 0 ) THEN
10543	IF ( is_used( prtcl, TRIM( variable(3:) ) ) ) THEN
10544	found_index = get_index( prtcl, TRIM( variable(3:) ) )
10545	DO i = nxl, nxr
10546	DO j = nys, nyn
10547	DO k = nzb, nz_do3d
10548	temp_bin = 0.0_wp
10549	DO ic = ( found_index-1 ) * nbins_aerosol + 1, found_index * nbins_aerosol
10550	temp_bin = temp_bin + aerosol_mass(ic)%conc(k,j,i)
10551	ENDDO
10552	tend(k,j,i) = temp_bin
10553	ENDDO
10554	ENDDO
10555	ENDDO
10556	ELSE
10557	tend = 0.0_wp
10558	ENDIF
10559	IF ( .NOT. mask_surface(mid) ) THEN
10560	DO i = 1, mask_size_l(mid,1)
10561	DO j = 1, mask_size_l(mid,2)
10562	DO k = 1, mask_size_l(mid,3)
10563	local_pf(i,j,k) = tend( mask_k(mid,k), mask_j(mid,j), mask_i(mid,i) )
10564	ENDDO
10565	ENDDO
10566	ENDDO
10567	ELSE
10568	DO i = 1, mask_size_l(mid,1)
10569	DO j = 1, mask_size_l(mid,2)
10570	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), &
10571	grid )
10572	DO k = 1, mask_size_l(mid,3)
10573	local_pf(i,j,k) = tend( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10574	mask_j(mid,j), mask_i(mid,i) )
10575	ENDDO
10576	ENDDO
10577	ENDDO
10578	ENDIF
10579	resorted = .TRUE.
10580	ELSE
10581	IF ( TRIM( variable(3:) ) == 'BC' ) to_be_resorted => s_bc_av
10582	IF ( TRIM( variable(3:) ) == 'DU' ) to_be_resorted => s_du_av
10583	IF ( TRIM( variable(3:) ) == 'NH' ) to_be_resorted => s_nh_av
10584	IF ( TRIM( variable(3:) ) == 'NO' ) to_be_resorted => s_no_av
10585	IF ( TRIM( variable(3:) ) == 'OC' ) to_be_resorted => s_oc_av
10586	IF ( TRIM( variable(3:) ) == 'SO4' ) to_be_resorted => s_so4_av
10587	IF ( TRIM( variable(3:) ) == 'SS' ) to_be_resorted => s_ss_av
10588	ENDIF
10589
10590	CASE DEFAULT
10591	found = .FALSE.
10592
10593	END SELECT
10594
10595	IF ( .NOT. resorted ) THEN
10596	IF ( .NOT. mask_surface(mid) ) THEN
10597	!
10598	!-- Default masked output
10599	DO i = 1, mask_size_l(mid,1)
10600	DO j = 1, mask_size_l(mid,2)
10601	DO k = 1, mask_size_l(mid,3)
10602	local_pf(i,j,k) = to_be_resorted( mask_k(mid,k), mask_j(mid,j),mask_i(mid,i) )
10603	ENDDO
10604	ENDDO
10605	ENDDO
10606	ELSE
10607	!
10608	!-- Terrain-following masked output
10609	DO i = 1, mask_size_l(mid,1)
10610	DO j = 1, mask_size_l(mid,2)
10611	!
10612	!-- Get k index of highest horizontal surface
10613	topo_top_ind = get_topography_top_index_ji( mask_j(mid,j), mask_i(mid,i), grid )
10614	!
10615	!-- Save output array
10616	DO k = 1, mask_size_l(mid,3)
10617	local_pf(i,j,k) = to_be_resorted( MIN( topo_top_ind+mask_k(mid,k), nzt+1 ), &
10618	mask_j(mid,j), mask_i(mid,i) )
10619	ENDDO
10620	ENDDO
10621	ENDDO
10622	ENDIF
10623	ENDIF
10624
10625	END SUBROUTINE salsa_data_output_mask
10626
10627	END MODULE salsa_mod

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