Home

Context Navigation

salsa_mod.f90 @ 3899

Last change on this file since 3899 was 3899, checked in by monakurppa, 4 years ago
corrected the OpenMP implementation for salsa and some minor bugs in salsa_mod
Property svn:keywords set to `Id`
File size: 477.4 KB

Line
1	!> @file salsa_mod.f90
2	!--------------------------------------------------------------------------------!
3	! This file is part of PALM-4U.
4	!
5	! PALM-4U is free software: you can redistribute it and/or modify it under the
6	! terms of the GNU General Public License as published by the Free Software
7	! Foundation, either version 3 of the License, or (at your option) any later
8	! version.
9	!
10	! PALM-4U is distributed in the hope that it will be useful, but WITHOUT ANY
11	! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
12	! A PARTICULAR PURPOSE. See the GNU General Public License for more details.
13	!
14	! You should have received a copy of the GNU General Public License along with
15	! PALM. If not, see <http://www.gnu.org/licenses/>.
16	!
17	! Copyright 2018-2019 University of Helsinki
18	! Copyright 1997-2019 Leibniz Universitaet Hannover
19	!--------------------------------------------------------------------------------!
20	!
21	! Current revisions:
22	! -----------------
23	!
24	!
25	! Former revisions:
26	! -----------------
27	! $Id: salsa_mod.f90 3899 2019-04-16 14:05:27Z monakurppa $
28	! 2018-04-11 monakurppa
29	! - remove unnecessary error / location messages
30	! - corrected some error message numbers
31	! - allocate source arrays only if emissions or dry deposition is applied.
32	! 3885 2019-04-11 11:29:34Z kanani
33	! Changes related to global restructuring of location messages and introduction
34	! of additional debug messages
35	!
36	! 3876 2019-04-08 18:41:49Z knoop
37	! Introduced salsa_actions module interface
38	!
39	! 3871 2019-04-08 14:38:39Z knoop
40	! Major changes in formatting, performance and data input structure (see branch
41	! the history for details)
42	! - Time-dependent emissions enabled: lod=1 for yearly PM emissions that are
43	! normalised depending on the time, and lod=2 for preprocessed emissions
44	! (similar to the chemistry module).
45	! - Additionally, 'uniform' emissions allowed. This emission is set constant on
46	! all horisontal upward facing surfaces and it is created based on parameters
47	! surface_aerosol_flux, aerosol_flux_dpg/sigmag/mass_fracs_a/mass_fracs_b.
48	! - All emissions are now implemented as surface fluxes! No 3D sources anymore.
49	! - Update the emission information by calling salsa_emission_update if
50	! skip_time_do_salsa >= time_since_reference_point and
51	! next_aero_emission_update <= time_since_reference_point
52	! - Aerosol background concentrations read from PIDS_DYNAMIC. The vertical grid
53	! must match the one applied in the model.
54	! - Gas emissions and background concentrations can be also read in in salsa_mod
55	! if the chemistry module is not applied.
56	! - In deposition, information on the land use type can be now imported from
57	! the land use model
58	! - Use SI units in PARIN, i.e. n_lognorm given in #/m3 and dpg in metres.
59	! - Apply 100 character line limit
60	! - Change all variable names from capital to lowercase letter
61	! - Change real exponents to integer if possible. If not, precalculate the value
62	! value of exponent
63	! - Rename in1a to start_subrange_1a, fn2a to end_subrange_1a etc.
64	! - Rename nbins --> nbins_aerosol, ncc_tot --> ncomponents_mass and ngast -->
65	! ngases_salsa
66	! - Rename ibc to index_bc, idu to index_du etc.
67	! - Renamed loop indices b, c and sg to ib, ic and ig
68	! - run_salsa subroutine removed
69	! - Corrected a bud in salsa_driver: falsely applied ino instead of inh
70	! - Call salsa_tendency within salsa_prognostic_equations which is called in
71	! module_interface_mod instead of prognostic_equations_mod
72	! - Removed tailing white spaces and unused variables
73	! - Change error message to start by PA instead of SA
74	!
75	! 3833 2019-03-28 15:04:04Z forkel
76	! added USE chem_gasphase_mod for nvar, nspec and spc_names
77	!
78	! 3787 2019-03-07 08:43:54Z raasch
79	! unused variables removed
80	!
81	! 3780 2019-03-05 11:19:45Z forkel
82	! unused variable for file index removed from rrd-subroutines parameter list
83	!
84	! 3685 2019-01-21 01:02:11Z knoop
85	! Some interface calls moved to module_interface + cleanup
86	!
87	! 3655 2019-01-07 16:51:22Z knoop
88	! Implementation of the PALM module interface
89	!
90	! 3636 2018-12-19 13:48:34Z raasch
91	! nopointer option removed
92	!
93	! 3630 2018-12-17 11:04:17Z knoop
94	! - Moved the control parameter "salsa" from salsa_mod.f90 to control_parameters
95	! - Updated salsa_rrd_local and salsa_wrd_local
96	! - Add target attribute
97	! - Revise initialization in case of restarts
98	! - Revise masked data output
99	!
100	! 3582 2018-11-29 19:16:36Z suehring
101	! missing comma separator inserted
102	!
103	! 3483 2018-11-02 14:19:26Z raasch
104	! bugfix: directives added to allow compilation without netCDF
105	!
106	! 3481 2018-11-02 09:14:13Z raasch
107	! temporary variable cc introduced to circumvent a possible Intel18 compiler bug
108	! related to contiguous/non-contguous pointer/target attributes
109	!
110	! 3473 2018-10-30 20:50:15Z suehring
111	! NetCDF input routine renamed
112	!
113	! 3467 2018-10-30 19:05:21Z suehring
114	! Initial revision
115	!
116	! 3412 2018-10-24 07:25:57Z monakurppa
117	!
118	! Authors:
119	! --------
120	! @author Mona Kurppa (University of Helsinki)
121	!
122	!
123	! Description:
124	! ------------
125	!> Sectional aerosol module for large scale applications SALSA
126	!> (Kokkola et al., 2008, ACP 8, 2469-2483). Solves the aerosol number and mass
127	!> concentration as well as chemical composition. Includes aerosol dynamic
128	!> processes: nucleation, condensation/evaporation of vapours, coagulation and
129	!> deposition on tree leaves, ground and roofs.
130	!> Implementation is based on formulations implemented in UCLALES-SALSA except
131	!> for deposition which is based on parametrisations by Zhang et al. (2001,
132	!> Atmos. Environ. 35, 549-560) or Petroff&Zhang (2010, Geosci. Model Dev. 3,
133	!> 753-769)
134	!>
135	!> @todo Apply information from emission_stack_height to lift emission sources
136	!> @todo emission mode "parameterized", i.e. based on street type
137	!> @todo Allow insoluble emissions
138	!> @todo two-way nesting is not working properly
139	!------------------------------------------------------------------------------!
140	MODULE salsa_mod
141
142	USE basic_constants_and_equations_mod, &
143	ONLY: c_p, g, p_0, pi, r_d
144
145	USE chem_gasphase_mod, &
146	ONLY: nspec, nvar, spc_names
147
148	USE chem_modules, &
149	ONLY: call_chem_at_all_substeps, chem_gasphase_on, chem_species
150
151	USE control_parameters
152
153	USE indices, &
154	ONLY: nbgp, nx, nxl, nxlg, nxr, nxrg, ny, nyn, nyng, nys, nysg, nzb, &
155	nzb_s_inner, nz, nzt, wall_flags_0
156
157	USE kinds
158
159	USE pegrid
160
161	USE salsa_util_mod
162
163	USE statistics, &
164	ONLY: sums_salsa_ws_l
165
166	IMPLICIT NONE
167	!
168	!-- SALSA constants:
169	!
170	!-- Local constants:
171	INTEGER(iwp), PARAMETER :: luc_urban = 15 !< default landuse type for urban
172	INTEGER(iwp), PARAMETER :: ngases_salsa = 5 !< total number of gaseous tracers:
173	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV
174	!< (non-volatile OC), 5 = OCSV (semi-volatile)
175	INTEGER(iwp), PARAMETER :: nmod = 7 !< number of modes for initialising the aerosol size
176	!< distribution
177	INTEGER(iwp), PARAMETER :: nreg = 2 !< Number of main size subranges
178	INTEGER(iwp), PARAMETER :: maxspec = 7 !< Max. number of aerosol species
179	INTEGER(iwp), PARAMETER :: season = 1 !< For dry depostion by Zhang et al.: 1 = summer,
180	!< 2 = autumn (no harvest yet), 3 = late autumn
181	!< (already frost), 4 = winter, 5 = transitional spring
182	!
183	!-- Universal constants
184	REAL(wp), PARAMETER :: abo = 1.380662E-23_wp !< Boltzmann constant (J/K)
185	REAL(wp), PARAMETER :: alv = 2.260E+6_wp !< latent heat for H2O
186	!< vaporisation (J/kg)
187	REAL(wp), PARAMETER :: alv_d_rv = 4896.96865_wp !< alv / rv
188	REAL(wp), PARAMETER :: am_airmol = 4.8096E-26_wp !< Average mass of one air
189	!< molecule (Jacobson,
190	!< 2005, Eq. 2.3)
191	REAL(wp), PARAMETER :: api6 = 0.5235988_wp !< pi / 6
192	REAL(wp), PARAMETER :: argas = 8.314409_wp !< Gas constant (J/(mol K))
193	REAL(wp), PARAMETER :: argas_d_cpd = 8.281283865E-3_wp !< argas per cpd
194	REAL(wp), PARAMETER :: avo = 6.02214E+23_wp !< Avogadro constant (1/mol)
195	REAL(wp), PARAMETER :: d_sa = 5.539376964394570E-10_wp !< diameter of condensing sulphuric
196	!< acid molecule (m)
197	REAL(wp), PARAMETER :: for_ppm_to_nconc = 7.243016311E+16_wp !< ppm * avo / R (K/(Pa*m3))
198	REAL(wp), PARAMETER :: epsoc = 0.15_wp !< water uptake of organic
199	!< material
200	REAL(wp), PARAMETER :: mclim = 1.0E-23_wp !< mass concentration min limit (kg/m3)
201	REAL(wp), PARAMETER :: n3 = 158.79_wp !< Number of H2SO4 molecules in 3 nm cluster
202	!< if d_sa=5.54e-10m
203	REAL(wp), PARAMETER :: nclim = 1.0_wp !< number concentration min limit (#/m3)
204	REAL(wp), PARAMETER :: surfw0 = 0.073_wp !< surface tension of water at 293 K (J/m2)
205	!
206	!-- Molar masses in kg/mol
207	REAL(wp), PARAMETER :: ambc = 12.0E-3_wp !< black carbon (BC)
208	REAL(wp), PARAMETER :: amdair = 28.970E-3_wp !< dry air
209	REAL(wp), PARAMETER :: amdu = 100.E-3_wp !< mineral dust
210	REAL(wp), PARAMETER :: amh2o = 18.0154E-3_wp !< H2O
211	REAL(wp), PARAMETER :: amh2so4 = 98.06E-3_wp !< H2SO4
212	REAL(wp), PARAMETER :: amhno3 = 63.01E-3_wp !< HNO3
213	REAL(wp), PARAMETER :: amn2o = 44.013E-3_wp !< N2O
214	REAL(wp), PARAMETER :: amnh3 = 17.031E-3_wp !< NH3
215	REAL(wp), PARAMETER :: amo2 = 31.9988E-3_wp !< O2
216	REAL(wp), PARAMETER :: amo3 = 47.998E-3_wp !< O3
217	REAL(wp), PARAMETER :: amoc = 150.E-3_wp !< organic carbon (OC)
218	REAL(wp), PARAMETER :: amss = 58.44E-3_wp !< sea salt (NaCl)
219	!
220	!-- Densities in kg/m3
221	REAL(wp), PARAMETER :: arhobc = 2000.0_wp !< black carbon
222	REAL(wp), PARAMETER :: arhodu = 2650.0_wp !< mineral dust
223	REAL(wp), PARAMETER :: arhoh2o = 1000.0_wp !< H2O
224	REAL(wp), PARAMETER :: arhoh2so4 = 1830.0_wp !< SO4
225	REAL(wp), PARAMETER :: arhohno3 = 1479.0_wp !< HNO3
226	REAL(wp), PARAMETER :: arhonh3 = 1530.0_wp !< NH3
227	REAL(wp), PARAMETER :: arhooc = 2000.0_wp !< organic carbon
228	REAL(wp), PARAMETER :: arhoss = 2165.0_wp !< sea salt (NaCl)
229	!
230	!-- Volume of molecule in m3/#
231	REAL(wp), PARAMETER :: amvh2o = amh2o /avo / arhoh2o !< H2O
232	REAL(wp), PARAMETER :: amvh2so4 = amh2so4 / avo / arhoh2so4 !< SO4
233	REAL(wp), PARAMETER :: amvhno3 = amhno3 / avo / arhohno3 !< HNO3
234	REAL(wp), PARAMETER :: amvnh3 = amnh3 / avo / arhonh3 !< NH3
235	REAL(wp), PARAMETER :: amvoc = amoc / avo / arhooc !< OC
236	REAL(wp), PARAMETER :: amvss = amss / avo / arhoss !< sea salt
237	!
238	!-- Constants for the dry deposition model by Petroff and Zhang (2010):
239	!-- obstacle characteristic dimension "L" (cm) (plane obstacle by default) and empirical constants
240	!-- C_B, C_IN, C_IM, beta_IM and C_IT for each land use category (15, as in Zhang et al. (2001))
241	REAL(wp), DIMENSION(1:15), PARAMETER :: l_p10 = &
242	(/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/)
243	REAL(wp), DIMENSION(1:15), PARAMETER :: c_b_p10 = &
244	(/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/)
245	REAL(wp), DIMENSION(1:15), PARAMETER :: c_in_p10 = &
246	(/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/)
247	REAL(wp), DIMENSION(1:15), PARAMETER :: c_im_p10 = &
248	(/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/)
249	REAL(wp), DIMENSION(1:15), PARAMETER :: beta_im_p10 = &
250	(/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/)
251	REAL(wp), DIMENSION(1:15), PARAMETER :: c_it_p10 = &
252	(/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/)
253	!
254	!-- Constants for the dry deposition model by Zhang et al. (2001):
255	!-- empirical constants "alpha" and "gamma" and characteristic radius "A" for
256	!-- each land use category (15) and season (5)
257	REAL(wp), DIMENSION(1:15), PARAMETER :: alpha_z01 = &
258	(/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/)
259	REAL(wp), DIMENSION(1:15), PARAMETER :: gamma_z01 = &
260	(/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/)
261	REAL(wp), DIMENSION(1:15,1:5), PARAMETER :: A_z01 = RESHAPE( (/&
262	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
263	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
264	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
265	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
266	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
267	/), (/ 15, 5 /) )
268	!-- Land use categories (based on Z01 but the same applies here also for P10):
269	!-- 1 = evergreen needleleaf trees,
270	!-- 2 = evergreen broadleaf trees,
271	!-- 3 = deciduous needleleaf trees,
272	!-- 4 = deciduous broadleaf trees,
273	!-- 5 = mixed broadleaf and needleleaf trees (deciduous broadleaf trees for P10),
274	!-- 6 = grass (short grass for P10),
275	!-- 7 = crops, mixed farming,
276	!-- 8 = desert,
277	!-- 9 = tundra,
278	!-- 10 = shrubs and interrupted woodlands (thorn shrubs for P10),
279	!-- 11 = wetland with plants (long grass for P10)
280	!-- 12 = ice cap and glacier,
281	!-- 13 = inland water (inland lake for P10)
282	!-- 14 = ocean (water for P10),
283	!-- 15 = urban
284	!
285	!-- SALSA variables:
286	CHARACTER(LEN=20) :: bc_salsa_b = 'neumann' !< bottom boundary condition
287	CHARACTER(LEN=20) :: bc_salsa_t = 'neumann' !< top boundary condition
288	CHARACTER(LEN=20) :: depo_pcm_par = 'zhang2001' !< or 'petroff2010'
289	CHARACTER(LEN=20) :: depo_pcm_type = 'deciduous_broadleaf' !< leaf type
290	CHARACTER(LEN=20) :: depo_surf_par = 'zhang2001' !< or 'petroff2010'
291	CHARACTER(LEN=100) :: input_file_dynamic = 'PIDS_DYNAMIC' !< file name for dynamic input
292	CHARACTER(LEN=100) :: input_file_salsa = 'PIDS_SALSA' !< file name for emission data
293	CHARACTER(LEN=20) :: salsa_emission_mode = 'no_emission' !< 'no_emission', 'uniform',
294	!< 'parameterized', 'read_from_file'
295
296	CHARACTER(LEN=20), DIMENSION(4) :: decycle_method = &
297	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
298	!< Decycling method at horizontal boundaries
299	!< 1=left, 2=right, 3=south, 4=north
300	!< dirichlet = initial profiles for the ghost and first 3 layers
301	!< neumann = zero gradient
302
303	CHARACTER(LEN=3), DIMENSION(maxspec) :: listspec = & !< Active aerosols
304	(/'SO4',' ',' ',' ',' ',' ',' '/)
305
306	INTEGER(iwp) :: depo_pcm_type_num = 0 !< index for the dry deposition type on the plant canopy
307	INTEGER(iwp) :: dots_salsa = 0 !< starting index for salsa-timeseries
308	INTEGER(iwp) :: end_subrange_1a = 1 !< last index for bin subrange 1a
309	INTEGER(iwp) :: end_subrange_2a = 1 !< last index for bin subrange 2a
310	INTEGER(iwp) :: end_subrange_2b = 1 !< last index for bin subrange 2b
311	INTEGER(iwp) :: ibc_salsa_b !< index for the bottom boundary condition
312	INTEGER(iwp) :: ibc_salsa_t !< index for the top boundary condition
313	INTEGER(iwp) :: index_bc = -1 !< index for black carbon (BC)
314	INTEGER(iwp) :: index_du = -1 !< index for dust
315	INTEGER(iwp) :: index_nh = -1 !< index for NH3
316	INTEGER(iwp) :: index_no = -1 !< index for HNO3
317	INTEGER(iwp) :: index_oc = -1 !< index for organic carbon (OC)
318	INTEGER(iwp) :: index_so4 = -1 !< index for SO4 or H2SO4
319	INTEGER(iwp) :: index_ss = -1 !< index for sea salt
320	INTEGER(iwp) :: init_aerosol_type = 0 !< Initial size distribution type
321	!< 0 = uniform (read from PARIN)
322	!< 1 = read vertical profile of the mode number
323	!< concentration from an input file
324	INTEGER(iwp) :: init_gases_type = 0 !< Initial gas concentration type
325	!< 0 = uniform (read from PARIN)
326	!< 1 = read vertical profile from an input file
327	INTEGER(iwp) :: lod_gas_emissions = 0 !< level of detail of the gaseous emission data
328	INTEGER(iwp) :: nbins_aerosol = 1 !< total number of size bins
329	INTEGER(iwp) :: ncc = 1 !< number of chemical components used
330	INTEGER(iwp) :: ncomponents_mass = 1 !< total number of chemical compounds (ncc+1)
331	!< if particle water is advected)
332	INTEGER(iwp) :: nj3 = 1 !< J3 parametrization (nucleation)
333	!< 1 = condensational sink (Kerminen&Kulmala, 2002)
334	!< 2 = coagulational sink (Lehtinen et al. 2007)
335	!< 3 = coagS+self-coagulation (Anttila et al. 2010)
336	INTEGER(iwp) :: nsnucl = 0 !< Choice of the nucleation scheme:
337	!< 0 = off
338	!< 1 = binary nucleation
339	!< 2 = activation type nucleation
340	!< 3 = kinetic nucleation
341	!< 4 = ternary nucleation
342	!< 5 = nucleation with ORGANICs
343	!< 6 = activation type of nucleation with H2SO4+ORG
344	!< 7 = heteromolecular nucleation with H2SO4*ORG
345	!< 8 = homomolecular nucleation of H2SO4
346	!< + heteromolecular nucleation with H2SO4*ORG
347	!< 9 = homomolecular nucleation of H2SO4 and ORG
348	!< + heteromolecular nucleation with H2SO4*ORG
349	INTEGER(iwp) :: start_subrange_1a = 1 !< start index for bin subranges: subrange 1a
350	INTEGER(iwp) :: start_subrange_2a = 1 !< subrange 2a
351	INTEGER(iwp) :: start_subrange_2b = 1 !< subrange 2b
352
353	INTEGER(iwp), DIMENSION(nreg) :: nbin = (/ 3, 7/) !< Number of size bins per subrange: 1 & 2
354
355	INTEGER(iwp), DIMENSION(ngases_salsa) :: gas_index_chem = &
356	(/ 1, 1, 1, 1, 1/) !< gas indices in chemistry_model_mod
357	!< 1 = H2SO4, 2 = HNO3, 3 = NH3, 4 = OCNV, 5 = OCSV
358	INTEGER(iwp), DIMENSION(ngases_salsa) :: emission_index_chem !< gas indices in the gas emission file
359
360	INTEGER(iwp), DIMENSION(:,:), ALLOCATABLE :: k_topo_top !< vertical index of the topography top
361	!
362	!-- SALSA switches:
363	LOGICAL :: advect_particle_water = .TRUE. !< advect water concentration of particles
364	LOGICAL :: decycle_lr = .FALSE. !< Undo cyclic boundary conditions: left and right
365	LOGICAL :: decycle_ns = .FALSE. !< north and south boundaries
366	LOGICAL :: include_emission = .FALSE. !< include or not emissions
367	LOGICAL :: feedback_to_palm = .FALSE. !< allow feedback due to condensation of H2O
368	LOGICAL :: nest_salsa = .FALSE. !< apply nesting for salsa
369	LOGICAL :: no_insoluble = .FALSE. !< Switch to exclude insoluble chemical components
370	LOGICAL :: read_restart_data_salsa = .FALSE. !< read restart data for salsa
371	LOGICAL :: salsa_gases_from_chem = .FALSE. !< Transfer the gaseous components to SALSA from
372	!< from chemistry model
373	LOGICAL :: van_der_waals_coagc = .FALSE. !< Enhancement of coagulation kernel by van der
374	!< Waals and viscous forces
375	LOGICAL :: write_binary_salsa = .FALSE. !< read binary for salsa
376	!
377	!-- Process switches: nl* is read from the NAMELIST and is NOT changed.
378	!-- ls* is the switch used and will get the value of nl*
379	!-- except for special circumstances (spinup period etc.)
380	LOGICAL :: nlcoag = .FALSE. !< Coagulation master switch
381	LOGICAL :: lscoag = .FALSE. !<
382	LOGICAL :: nlcnd = .FALSE. !< Condensation master switch
383	LOGICAL :: lscnd = .FALSE. !<
384	LOGICAL :: nlcndgas = .FALSE. !< Condensation of precursor gases
385	LOGICAL :: lscndgas = .FALSE. !<
386	LOGICAL :: nlcndh2oae = .FALSE. !< Condensation of H2O on aerosol
387	LOGICAL :: lscndh2oae = .FALSE. !< particles (FALSE -> equilibrium calc.)
388	LOGICAL :: nldepo = .FALSE. !< Deposition master switch
389	LOGICAL :: lsdepo = .FALSE. !<
390	LOGICAL :: nldepo_surf = .FALSE. !< Deposition on vegetation master switch
391	LOGICAL :: lsdepo_surf = .FALSE. !<
392	LOGICAL :: nldepo_pcm = .FALSE. !< Deposition on walls master switch
393	LOGICAL :: lsdepo_pcm = .FALSE. !<
394	LOGICAL :: nldistupdate = .TRUE. !< Size distribution update master switch
395	LOGICAL :: lsdistupdate = .FALSE. !<
396	LOGICAL :: lspartition = .FALSE. !< Partition of HNO3 and NH3
397
398	REAL(wp) :: act_coeff = 1.0E-7_wp !< Activation coefficient
399	REAL(wp) :: dt_salsa = 0.00001_wp !< Time step of SALSA
400	REAL(wp) :: h2so4_init = nclim !< Init value for sulphuric acid gas
401	REAL(wp) :: hno3_init = nclim !< Init value for nitric acid gas
402	REAL(wp) :: last_salsa_time = 0.0_wp !< previous salsa call
403	REAL(wp) :: next_aero_emission_update = 0.0_wp !< previous emission update
404	REAL(wp) :: next_gas_emission_update = 0.0_wp !< previous emission update
405	REAL(wp) :: nf2a = 1.0_wp !< Number fraction allocated to 2a-bins
406	REAL(wp) :: nh3_init = nclim !< Init value for ammonia gas
407	REAL(wp) :: ocnv_init = nclim !< Init value for non-volatile organic gases
408	REAL(wp) :: ocsv_init = nclim !< Init value for semi-volatile organic gases
409	REAL(wp) :: rhlim = 1.20_wp !< RH limit in %/100. Prevents unrealistical RH
410	REAL(wp) :: skip_time_do_salsa = 0.0_wp !< Starting time of SALSA (s)
411	!
412	!-- Initial log-normal size distribution: mode diameter (dpg, metres),
413	!-- standard deviation (sigmag) and concentration (n_lognorm, #/m3)
414	REAL(wp), DIMENSION(nmod) :: dpg = &
415	(/1.3E-8_wp, 5.4E-8_wp, 8.6E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp/)
416	REAL(wp), DIMENSION(nmod) :: sigmag = &
417	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
418	REAL(wp), DIMENSION(nmod) :: n_lognorm = &
419	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
420	!
421	!-- Initial mass fractions / chemical composition of the size distribution
422	REAL(wp), DIMENSION(maxspec) :: mass_fracs_a = & !< mass fractions between
423	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for A bins
424	REAL(wp), DIMENSION(maxspec) :: mass_fracs_b = & !< mass fractions between
425	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/) !< aerosol species for B bins
426	REAL(wp), DIMENSION(nreg+1) :: reglim = & !< Min&max diameters of size subranges
427	(/ 3.0E-9_wp, 5.0E-8_wp, 1.0E-5_wp/)
428	!
429	!-- Initial log-normal size distribution: mode diameter (dpg, metres), standard deviation (sigmag)
430	!-- concentration (n_lognorm, #/m3) and mass fractions of all chemical components (listed in
431	!-- listspec) for both a (soluble) and b (insoluble) bins.
432	REAL(wp), DIMENSION(nmod) :: aerosol_flux_dpg = &
433	(/1.3E-8_wp, 5.4E-8_wp, 8.6E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp, 2.0E-7_wp/)
434	REAL(wp), DIMENSION(nmod) :: aerosol_flux_sigmag = &
435	(/1.8_wp, 2.16_wp, 2.21_wp, 2.0_wp, 2.0_wp, 2.0_wp, 2.0_wp/)
436	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_a = &
437	(/1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
438	REAL(wp), DIMENSION(maxspec) :: aerosol_flux_mass_fracs_b = &
439	(/0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0/)
440	REAL(wp), DIMENSION(nmod) :: surface_aerosol_flux = &
441	(/1.04e+11_wp, 3.23E+10_wp, 5.4E+6_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp/)
442
443	REAL(wp), DIMENSION(:), ALLOCATABLE :: bin_low_limits !< to deliver information about
444	!< the lower diameters per bin
445	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_am_t_val !< vertical gradient of: aerosol mass
446	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_an_t_val !< of: aerosol number
447	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_gt_t_val !< salsa gases near domain top
448	REAL(wp), DIMENSION(:), ALLOCATABLE :: gas_emission_time !< Time array in gas emission data (s)
449	REAL(wp), DIMENSION(:), ALLOCATABLE :: nsect !< Background number concentrations
450	REAL(wp), DIMENSION(:), ALLOCATABLE :: massacc !< Mass accomodation coefficients
451	!
452	!-- SALSA derived datatypes:
453	!
454	!-- For matching LSM and the deposition module surface types
455	TYPE match_lsm_depo
456	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match
457	END TYPE match_lsm_depo
458	!
459	!-- Aerosol emission data attributes
460	TYPE salsa_emission_attribute_type
461
462	CHARACTER(LEN=25) :: units
463
464	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cat_name !<
465	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !<
466	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: unit_time !<
467	CHARACTER(LEN=100), DIMENSION(:), ALLOCATABLE :: var_names !<
468
469	INTEGER(iwp) :: lod = 0 !< level of detail
470	INTEGER(iwp) :: nbins = 10 !< number of aerosol size bins
471	INTEGER(iwp) :: ncat = 0 !< number of emission categories
472	INTEGER(iwp) :: ncc = 7 !< number of aerosol chemical components
473	INTEGER(iwp) :: nhoursyear = 0 !< number of hours: HOURLY mode
474	INTEGER(iwp) :: nmonthdayhour = 0 !< number of month days and hours: MDH mode
475	INTEGER(iwp) :: num_vars !< number of variables
476	INTEGER(iwp) :: nt = 0 !< number of time steps
477	INTEGER(iwp) :: nz = 0 !< number of vertical levels
478	INTEGER(iwp) :: tind !< time index for reference time in salsa emission data
479
480	INTEGER(iwp), DIMENSION(maxspec) :: cc_input_to_model !<
481
482	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cat_index !< Index of emission categories
483	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: cc_index !< Index of chemical components
484
485	REAL(wp) :: conversion_factor !< unit conversion factor for aerosol emissions
486
487	REAL(wp), DIMENSION(:), ALLOCATABLE :: dmid !< mean diameters of size bins (m)
488	REAL(wp), DIMENSION(:), ALLOCATABLE :: rho !< average density (kg/m3)
489	REAL(wp), DIMENSION(:), ALLOCATABLE :: time !< time (s)
490	REAL(wp), DIMENSION(:), ALLOCATABLE :: time_factor !< emission time factor
491	REAL(wp), DIMENSION(:), ALLOCATABLE :: z !< height (m)
492
493	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: etf !< emission time factor
494	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: stack_height
495
496	END TYPE salsa_emission_attribute_type
497	!
498	!-- The default size distribution and mass composition per emission category:
499	!-- 1 = traffic, 2 = road dust, 3 = wood combustion, 4 = other
500	!-- Mass fractions: H2SO4, OC, BC, DU, SS, HNO3, NH3
501	TYPE salsa_emission_mode_type
502
503	INTEGER(iwp) :: ndm = 3 !< number of default modes
504	INTEGER(iwp) :: ndc = 4 !< number of default categories
505
506	CHARACTER(LEN=25), DIMENSION(1:4) :: cat_name_table = (/'traffic exhaust', &
507	'road dust ', &
508	'wood combustion', &
509	'other '/)
510
511	INTEGER(iwp), DIMENSION(1:4) :: cat_input_to_model !<
512
513	REAL(wp), DIMENSION(1:3) :: dpg_table = (/ 13.5E-9_wp, 1.4E-6_wp, 5.4E-8_wp/) !<
514	REAL(wp), DIMENSION(1:3) :: ntot_table !<
515	REAL(wp), DIMENSION(1:3) :: sigmag_table = (/ 1.6_wp, 1.4_wp, 1.7_wp /) !<
516
517	REAL(wp), DIMENSION(1:maxspec,1:4) :: mass_frac_table = & !<
518	RESHAPE( (/ 0.04_wp, 0.48_wp, 0.48_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
519	0.0_wp, 0.05_wp, 0.0_wp, 0.95_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
520	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
521	0.0_wp, 0.5_wp, 0.5_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp &
522	/), (/maxspec,4/) )
523
524	REAL(wp), DIMENSION(1:3,1:4) :: pm_frac_table = & !< rel. mass
525	RESHAPE( (/ 0.016_wp, 0.000_wp, 0.984_wp, &
526	0.000_wp, 1.000_wp, 0.000_wp, &
527	0.000_wp, 0.000_wp, 1.000_wp, &
528	1.000_wp, 0.000_wp, 1.000_wp &
529	/), (/3,4/) )
530
531	END TYPE salsa_emission_mode_type
532	!
533	!-- Aerosol emission data values
534	TYPE salsa_emission_value_type
535
536	REAL(wp) :: fill !< fill value
537
538	REAL(wp), DIMENSION(:), ALLOCATABLE :: preproc_mass_fracs !< mass fractions
539
540	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: def_mass_fracs !< mass fractions per emis. category
541
542	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: def_data !< surface emission values in PM
543	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE :: preproc_data !< surface emission values per bin
544
545	END TYPE salsa_emission_value_type
546	!
547	!-- Prognostic variable: Aerosol size bin information (number (#/m3) and mass (kg/m3) concentration)
548	!-- and the concentration of gaseous tracers (#/m3). Gas tracers are contained sequentially in
549	!-- dimension 4 as:
550	!-- 1. H2SO4, 2. HNO3, 3. NH3, 4. OCNV (non-volatile organics), 5. OCSV (semi-volatile)
551	TYPE salsa_variable
552
553	REAL(wp), ALLOCATABLE, DIMENSION(:) :: init !<
554
555	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s !<
556	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s !<
557	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: source !<
558	REAL(wp), ALLOCATABLE, DIMENSION(:,:) :: sums_ws_l !<
559
560	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l !<
561	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l !<
562
563	REAL(wp), POINTER, DIMENSION(:,:,:), CONTIGUOUS :: conc !<
564	REAL(wp), POINTER, DIMENSION(:,:,:), CONTIGUOUS :: conc_p !<
565	REAL(wp), POINTER, DIMENSION(:,:,:), CONTIGUOUS :: tconc_m !<
566
567	END TYPE salsa_variable
568	!
569	!-- Datatype used to store information about the binned size distributions of aerosols
570	TYPE t_section
571
572	REAL(wp) :: dmid !< bin middle diameter (m)
573	REAL(wp) :: vhilim !< bin volume at the high limit
574	REAL(wp) :: vlolim !< bin volume at the low limit
575	REAL(wp) :: vratiohi !< volume ratio between the center and high limit
576	REAL(wp) :: vratiolo !< volume ratio between the center and low limit
577	!******************************************************
578	! ^ Do NOT change the stuff above after initialization !
579	!******************************************************
580	REAL(wp) :: core !< Volume of dry particle
581	REAL(wp) :: dwet !< Wet diameter or mean droplet diameter (m)
582	REAL(wp) :: numc !< Number concentration of particles/droplets (#/m3)
583	REAL(wp) :: veqh2o !< Equilibrium H2O concentration for each particle
584
585	REAL(wp), DIMENSION(maxspec+1) :: volc !< Volume concentrations (m^3/m^3) of aerosols +
586	!< water. Since most of the stuff in SALSA is hard
587	!< coded, these have to be in the order
588	!< 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
589	END TYPE t_section
590
591	TYPE(salsa_emission_attribute_type) :: aero_emission_att !< emission attributes
592	TYPE(salsa_emission_value_type) :: aero_emission !< emission values
593	TYPE(salsa_emission_mode_type) :: def_modes !< default emission modes
594
595	TYPE(t_section), DIMENSION(:), ALLOCATABLE :: aero !< local aerosol properties
596
597	TYPE(match_lsm_depo) :: lsm_to_depo_h
598
599	TYPE(match_lsm_depo), DIMENSION(0:3) :: lsm_to_depo_v
600	!
601	!-- SALSA variables: as x = x(k,j,i,bin).
602	!-- The 4th dimension contains all the size bins sequentially for each aerosol species + water.
603	!
604	!-- Prognostic variables:
605	!
606	!-- Number concentration (#/m3)
607	TYPE(salsa_variable), ALLOCATABLE, DIMENSION(:), TARGET :: aerosol_number !<
608	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nconc_1 !<
609	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nconc_2 !<
610	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nconc_3 !<
611	!
612	!-- Mass concentration (kg/m3)
613	TYPE(salsa_variable), ALLOCATABLE, DIMENSION(:), TARGET :: aerosol_mass !<
614	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mconc_1 !<
615	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mconc_2 !<
616	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mconc_3 !<
617	!
618	!-- Gaseous concentrations (#/m3)
619	TYPE(salsa_variable), ALLOCATABLE, DIMENSION(:), TARGET :: salsa_gas !<
620	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: gconc_1 !<
621	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: gconc_2 !<
622	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: gconc_3 !<
623	!
624	!-- Diagnostic tracers
625	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:) :: sedim_vd !< sedimentation velocity per bin (m/s)
626	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:) :: ra_dry !< aerosol dry radius (m)
627
628	!-- Particle component index tables
629	TYPE(component_index) :: prtcl !< Contains "getIndex" which gives the index for a given aerosol
630	!< component name: 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
631	!
632	!-- Data output arrays:
633	!
634	!-- Gases:
635	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_h2so4_av !< H2SO4
636	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_hno3_av !< HNO3
637	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_nh3_av !< NH3
638	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_ocnv_av !< non-volatile OC
639	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: g_ocsv_av !< semi-volatile OC
640	!
641	!-- Integrated:
642	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: ldsa_av !< lung-deposited surface area
643	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: ntot_av !< total number concentration
644	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: pm25_av !< PM2.5
645	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: pm10_av !< PM10
646	!
647	!-- In the particle phase:
648	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_bc_av !< black carbon
649	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_du_av !< dust
650	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_h2o_av !< liquid water
651	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_nh_av !< ammonia
652	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_no_av !< nitrates
653	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_oc_av !< org. carbon
654	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_so4_av !< sulphates
655	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:), TARGET :: s_ss_av !< sea salt
656	!
657	!-- Bin specific mass and number concentrations:
658	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: mbins_av !< bin mas
659	REAL(wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: nbins_av !< bin number
660
661	!
662	!-- PALM interfaces:
663	!
664	!-- Boundary conditions:
665	INTERFACE salsa_boundary_conds
666	MODULE PROCEDURE salsa_boundary_conds
667	MODULE PROCEDURE salsa_boundary_conds_decycle
668	END INTERFACE salsa_boundary_conds
669	!
670	!-- Data output checks for 2D/3D data to be done in check_parameters
671	INTERFACE salsa_check_data_output
672	MODULE PROCEDURE salsa_check_data_output
673	END INTERFACE salsa_check_data_output
674	!
675	!-- Input parameter checks to be done in check_parameters
676	INTERFACE salsa_check_parameters
677	MODULE PROCEDURE salsa_check_parameters
678	END INTERFACE salsa_check_parameters
679	!
680	!-- Averaging of 3D data for output
681	INTERFACE salsa_3d_data_averaging
682	MODULE PROCEDURE salsa_3d_data_averaging
683	END INTERFACE salsa_3d_data_averaging
684	!
685	!-- Data output of 2D quantities
686	INTERFACE salsa_data_output_2d
687	MODULE PROCEDURE salsa_data_output_2d
688	END INTERFACE salsa_data_output_2d
689	!
690	!-- Data output of 3D data
691	INTERFACE salsa_data_output_3d
692	MODULE PROCEDURE salsa_data_output_3d
693	END INTERFACE salsa_data_output_3d
694	!
695	!-- Data output of 3D data
696	INTERFACE salsa_data_output_mask
697	MODULE PROCEDURE salsa_data_output_mask
698	END INTERFACE salsa_data_output_mask
699	!
700	!-- Definition of data output quantities
701	INTERFACE salsa_define_netcdf_grid
702	MODULE PROCEDURE salsa_define_netcdf_grid
703	END INTERFACE salsa_define_netcdf_grid
704	!
705	!-- Output of information to the header file
706	INTERFACE salsa_header
707	MODULE PROCEDURE salsa_header
708	END INTERFACE salsa_header
709	!
710	!-- Initialization actions
711	INTERFACE salsa_init
712	MODULE PROCEDURE salsa_init
713	END INTERFACE salsa_init
714	!
715	!-- Initialization of arrays
716	INTERFACE salsa_init_arrays
717	MODULE PROCEDURE salsa_init_arrays
718	END INTERFACE salsa_init_arrays
719	!
720	!-- Writing of binary output for restart runs !!! renaming?!
721	INTERFACE salsa_wrd_local
722	MODULE PROCEDURE salsa_wrd_local
723	END INTERFACE salsa_wrd_local
724	!
725	!-- Reading of NAMELIST parameters
726	INTERFACE salsa_parin
727	MODULE PROCEDURE salsa_parin
728	END INTERFACE salsa_parin
729	!
730	!-- Reading of parameters for restart runs
731	INTERFACE salsa_rrd_local
732	MODULE PROCEDURE salsa_rrd_local
733	END INTERFACE salsa_rrd_local
734	!
735	!-- Swapping of time levels (required for prognostic variables)
736	INTERFACE salsa_swap_timelevel
737	MODULE PROCEDURE salsa_swap_timelevel
738	END INTERFACE salsa_swap_timelevel
739	!
740	!-- Interface between PALM and salsa
741	INTERFACE salsa_driver
742	MODULE PROCEDURE salsa_driver
743	END INTERFACE salsa_driver
744
745	!-- Actions salsa variables
746	INTERFACE salsa_actions
747	MODULE PROCEDURE salsa_actions
748	MODULE PROCEDURE salsa_actions_ij
749	END INTERFACE salsa_actions
750	!
751	!-- Prognostics equations for salsa variables
752	INTERFACE salsa_prognostic_equations
753	MODULE PROCEDURE salsa_prognostic_equations
754	MODULE PROCEDURE salsa_prognostic_equations_ij
755	END INTERFACE salsa_prognostic_equations
756	!
757	!-- Tendency salsa variables
758	INTERFACE salsa_tendency
759	MODULE PROCEDURE salsa_tendency
760	MODULE PROCEDURE salsa_tendency_ij
761	END INTERFACE salsa_tendency
762
763
764	SAVE
765
766	PRIVATE
767	!
768	!-- Public functions:
769	PUBLIC salsa_boundary_conds, salsa_check_data_output, salsa_check_parameters, &
770	salsa_3d_data_averaging, salsa_data_output_2d, salsa_data_output_3d, &
771	salsa_data_output_mask, salsa_define_netcdf_grid, salsa_diagnostics, salsa_driver, &
772	salsa_emission_update, salsa_header, salsa_init, salsa_init_arrays, salsa_parin, &
773	salsa_rrd_local, salsa_swap_timelevel, salsa_prognostic_equations, salsa_wrd_local, &
774	salsa_actions
775	!
776	!-- Public parameters, constants and initial values
777	PUBLIC bc_am_t_val, bc_an_t_val, bc_gt_t_val, dots_salsa, dt_salsa, &
778	ibc_salsa_b, last_salsa_time, lsdepo, nest_salsa, salsa, salsa_gases_from_chem, &
779	skip_time_do_salsa
780	!
781	!-- Public prognostic variables
782	PUBLIC aerosol_mass, aerosol_number, gconc_2, mconc_2, nbins_aerosol, ncc, ncomponents_mass, &
783	nclim, nconc_2, ngases_salsa, prtcl, ra_dry, salsa_gas, sedim_vd
784
785
786	CONTAINS
787
788	!------------------------------------------------------------------------------!
789	! Description:
790	! ------------
791	!> Parin for &salsa_par for new modules
792	!------------------------------------------------------------------------------!
793	SUBROUTINE salsa_parin
794
795	IMPLICIT NONE
796
797	CHARACTER(LEN=80) :: line !< dummy string that contains the current line
798	!< of the parameter file
799
800	NAMELIST /salsa_parameters/ aerosol_flux_dpg, aerosol_flux_mass_fracs_a, &
801	aerosol_flux_mass_fracs_b, aerosol_flux_sigmag, &
802	advect_particle_water, bc_salsa_b, bc_salsa_t, decycle_lr, &
803	decycle_method, decycle_ns, depo_pcm_par, depo_pcm_type, &
804	depo_surf_par, dpg, dt_salsa, feedback_to_palm, h2so4_init, &
805	hno3_init, init_gases_type, init_aerosol_type, listspec, &
806	mass_fracs_a, mass_fracs_b, n_lognorm, nbin, nest_salsa, nf2a,&
807	nh3_init, nj3, nlcnd, nlcndgas, nlcndh2oae, nlcoag, nldepo, &
808	nldepo_pcm, nldepo_surf, nldistupdate, nsnucl, ocnv_init, &
809	ocsv_init, read_restart_data_salsa, reglim, salsa, &
810	salsa_emission_mode, sigmag, skip_time_do_salsa, &
811	surface_aerosol_flux, van_der_waals_coagc, write_binary_salsa
812
813	line = ' '
814	!
815	!-- Try to find salsa package
816	REWIND ( 11 )
817	line = ' '
818	DO WHILE ( INDEX( line, '&salsa_parameters' ) == 0 )
819	READ ( 11, '(A)', END=10 ) line
820	ENDDO
821	BACKSPACE ( 11 )
822	!
823	!-- Read user-defined namelist
824	READ ( 11, salsa_parameters )
825	!
826	!-- Enable salsa (salsa switch in modules.f90)
827	salsa = .TRUE.
828
829	10 CONTINUE
830
831	END SUBROUTINE salsa_parin
832
833	!------------------------------------------------------------------------------!
834	! Description:
835	! ------------
836	!> Check parameters routine for salsa.
837	!------------------------------------------------------------------------------!
838	SUBROUTINE salsa_check_parameters
839
840	USE control_parameters, &
841	ONLY: message_string
842
843	IMPLICIT NONE
844
845	!
846	!-- Checks go here (cf. check_parameters.f90).
847	IF ( salsa .AND. .NOT. humidity ) THEN
848	WRITE( message_string, * ) 'salsa = ', salsa, ' is not allowed with humidity = ', humidity
849	CALL message( 'salsa_check_parameters', 'PA0594', 1, 2, 0, 6, 0 )
850	ENDIF
851
852	IF ( bc_salsa_b == 'dirichlet' ) THEN
853	ibc_salsa_b = 0
854	ELSEIF ( bc_salsa_b == 'neumann' ) THEN
855	ibc_salsa_b = 1
856	ELSE
857	message_string = 'unknown boundary condition: bc_salsa_b = "' // TRIM( bc_salsa_t ) // '"'
858	CALL message( 'salsa_check_parameters', 'PA0595', 1, 2, 0, 6, 0 )
859	ENDIF
860
861	IF ( bc_salsa_t == 'dirichlet' ) THEN
862	ibc_salsa_t = 0
863	ELSEIF ( bc_salsa_t == 'neumann' ) THEN
864	ibc_salsa_t = 1
865	ELSEIF ( bc_salsa_t == 'nested' ) THEN
866	ibc_salsa_t = 2
867	ELSE
868	message_string = 'unknown boundary condition: bc_salsa_t = "' // TRIM( bc_salsa_t ) // '"'
869	CALL message( 'salsa_check_parameters', 'PA0596', 1, 2, 0, 6, 0 )
870	ENDIF
871
872	IF ( nj3 < 1 .OR. nj3 > 3 ) THEN
873	message_string = 'unknown nj3 (must be 1-3)'
874	CALL message( 'salsa_check_parameters', 'PA0597', 1, 2, 0, 6, 0 )
875	ENDIF
876
877	IF ( salsa_emission_mode /= 'no_emission' .AND. ibc_salsa_b == 0 ) THEN
878	message_string = 'salsa_emission_mode /= "no_emission" requires bc_salsa_b = "Neumann"'
879	CALL message( 'salsa_check_parameters','PA0598', 1, 2, 0, 6, 0 )
880	ENDIF
881
882	IF ( salsa_emission_mode /= 'no_emission' ) include_emission = .TRUE.
883
884	END SUBROUTINE salsa_check_parameters
885
886	!------------------------------------------------------------------------------!
887	!
888	! Description:
889	! ------------
890	!> Subroutine defining appropriate grid for netcdf variables.
891	!> It is called out from subroutine netcdf.
892	!> Same grid as for other scalars (see netcdf_interface_mod.f90)
893	!------------------------------------------------------------------------------!
894	SUBROUTINE salsa_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
895
896	IMPLICIT NONE
897
898	CHARACTER(LEN=*), INTENT(OUT) :: grid_x !<
899	CHARACTER(LEN=*), INTENT(OUT) :: grid_y !<
900	CHARACTER(LEN=*), INTENT(OUT) :: grid_z !<
901	CHARACTER(LEN=*), INTENT(IN) :: var !<
902
903	LOGICAL, INTENT(OUT) :: found !<
904
905	found = .TRUE.
906	!
907	!-- Check for the grid
908
909	IF ( var(1:2) == 'g_' ) THEN
910	grid_x = 'x'
911	grid_y = 'y'
912	grid_z = 'zu'
913	ELSEIF ( var(1:4) == 'LDSA' ) THEN
914	grid_x = 'x'
915	grid_y = 'y'
916	grid_z = 'zu'
917	ELSEIF ( var(1:5) == 'm_bin' ) THEN
918	grid_x = 'x'
919	grid_y = 'y'
920	grid_z = 'zu'
921	ELSEIF ( var(1:5) == 'N_bin' ) THEN
922	grid_x = 'x'
923	grid_y = 'y'
924	grid_z = 'zu'
925	ELSEIF ( var(1:4) == 'Ntot' ) THEN
926	grid_x = 'x'
927	grid_y = 'y'
928	grid_z = 'zu'
929	ELSEIF ( var(1:2) == 'PM' ) THEN
930	grid_x = 'x'
931	grid_y = 'y'
932	grid_z = 'zu'
933	ELSEIF ( var(1:2) == 's_' ) THEN
934	grid_x = 'x'
935	grid_y = 'y'
936	grid_z = 'zu'
937	ELSE
938	found = .FALSE.
939	grid_x = 'none'
940	grid_y = 'none'
941	grid_z = 'none'
942	ENDIF
943
944	END SUBROUTINE salsa_define_netcdf_grid
945
946	!------------------------------------------------------------------------------!
947	! Description:
948	! ------------
949	!> Header output for new module
950	!------------------------------------------------------------------------------!
951	SUBROUTINE salsa_header( io )
952
953	IMPLICIT NONE
954
955	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
956	!
957	!-- Write SALSA header
958	WRITE( io, 1 )
959	WRITE( io, 2 ) skip_time_do_salsa
960	WRITE( io, 3 ) dt_salsa
961	WRITE( io, 4 ) SHAPE( aerosol_number(1)%conc ), nbins_aerosol
962	IF ( advect_particle_water ) THEN
963	WRITE( io, 5 ) SHAPE( aerosol_mass(1)%conc ), ncomponents_mass*nbins_aerosol, &
964	advect_particle_water
965	ELSE
966	WRITE( io, 5 ) SHAPE( aerosol_mass(1)%conc ), ncc*nbins_aerosol, advect_particle_water
967	ENDIF
968	IF ( .NOT. salsa_gases_from_chem ) THEN
969	WRITE( io, 6 ) SHAPE( aerosol_mass(1)%conc ), ngases_salsa, salsa_gases_from_chem
970	ENDIF
971	WRITE( io, 7 )
972	IF ( nsnucl > 0 ) WRITE( io, 8 ) nsnucl, nj3
973	IF ( nlcoag ) WRITE( io, 9 )
974	IF ( nlcnd ) WRITE( io, 10 ) nlcndgas, nlcndh2oae
975	IF ( lspartition ) WRITE( io, 11 )
976	IF ( nldepo ) WRITE( io, 12 ) nldepo_pcm, nldepo_surf
977	WRITE( io, 13 ) reglim, nbin, bin_low_limits
978	IF ( init_aerosol_type == 0 ) WRITE( io, 14 ) nsect
979	WRITE( io, 15 ) ncc, listspec, mass_fracs_a, mass_fracs_b
980	IF ( .NOT. salsa_gases_from_chem ) THEN
981	WRITE( io, 16 ) ngases_salsa, h2so4_init, hno3_init, nh3_init, ocnv_init, ocsv_init
982	ENDIF
983	WRITE( io, 17 ) init_aerosol_type, init_gases_type
984	IF ( init_aerosol_type == 0 ) THEN
985	WRITE( io, 18 ) dpg, sigmag, n_lognorm
986	ELSE
987	WRITE( io, 19 )
988	ENDIF
989	IF ( nest_salsa ) WRITE( io, 20 ) nest_salsa
990	WRITE( io, 21 ) salsa_emission_mode
991	IF ( salsa_emission_mode == 'uniform' ) THEN
992	WRITE( io, 22 ) surface_aerosol_flux, aerosol_flux_dpg, aerosol_flux_sigmag, &
993	aerosol_flux_mass_fracs_a
994	ENDIF
995	IF ( SUM( aerosol_flux_mass_fracs_b ) > 0.0_wp .OR. salsa_emission_mode == 'read_from_file' ) &
996	THEN
997	WRITE( io, 23 )
998	ENDIF
999
1000	1 FORMAT (//' SALSA information:'/ &
1001	' ------------------------------'/)
1002	2 FORMAT (' Starts at: skip_time_do_salsa = ', F10.2, ' s')
1003	3 FORMAT (/' Timestep: dt_salsa = ', F6.2, ' s')
1004	4 FORMAT (/' Array shape (z,y,x,bins):'/ &
1005	' aerosol_number: ', 4(I3))
1006	5 FORMAT (/' aerosol_mass: ', 4(I3),/ &
1007	' (advect_particle_water = ', L1, ')')
1008	6 FORMAT (' salsa_gas: ', 4(I3),/ &
1009	' (salsa_gases_from_chem = ', L1, ')')
1010	7 FORMAT (/' Aerosol dynamic processes included: ')
1011	8 FORMAT (/' nucleation (scheme = ', I1, ' and J3 parametrization = ', I1, ')')
1012	9 FORMAT (/' coagulation')
1013	10 FORMAT (/' condensation (of precursor gases = ', L1, ' and water vapour = ', L1, ')' )
1014	11 FORMAT (/' dissolutional growth by HNO3 and NH3')
1015	12 FORMAT (/' dry deposition (on vegetation = ', L1, ' and on topography = ', L1, ')')
1016	13 FORMAT (/' Aerosol bin subrange limits (in metres): ', 3(ES10.2E3), / &
1017	' Number of size bins for each aerosol subrange: ', 2I3,/ &
1018	' Aerosol bin limits (in metres): ', 9(ES10.2E3))
1019	14 FORMAT (' Initial number concentration in bins at the lowest level (#/m**3):', 9(ES10.2E3))
1020	15 FORMAT (/' Number of chemical components used: ', I1,/ &
1021	' Species: ',7(A6),/ &
1022	' Initial relative contribution of each species to particle volume in:',/ &
1023	' a-bins: ', 7(F6.3),/ &
1024	' b-bins: ', 7(F6.3))
1025	16 FORMAT (/' Number of gaseous tracers used: ', I1,/ &
1026	' Initial gas concentrations:',/ &
1027	' H2SO4: ',ES12.4E3, ' #/m**3',/ &
1028	' HNO3: ',ES12.4E3, ' #/m**3',/ &
1029	' NH3: ',ES12.4E3, ' #/m**3',/ &
1030	' OCNV: ',ES12.4E3, ' #/m**3',/ &
1031	' OCSV: ',ES12.4E3, ' #/m**3')
1032	17 FORMAT (/' Initialising concentrations: ', / &
1033	' Aerosol size distribution: init_aerosol_type = ', I1,/ &
1034	' Gas concentrations: init_gases_type = ', I1 )
1035	18 FORMAT ( ' Mode diametres: dpg(nmod) = ', 7(F7.3), ' (m)', / &
1036	' Standard deviation: sigmag(nmod) = ', 7(F7.2),/ &
1037	' Number concentration: n_lognorm(nmod) = ', 7(ES12.4E3), ' (#/m3)' )
1038	19 FORMAT (/' Size distribution read from a file.')
1039	20 FORMAT (/' Nesting for salsa variables: ', L1 )
1040	21 FORMAT (/' Emissions: salsa_emission_mode = ', A )
1041	22 FORMAT (/' surface_aerosol_flux = ', ES12.4E3, ' #/m**2/s', / &
1042	' aerosol_flux_dpg = ', 7(F7.3), ' (m)', / &
1043	' aerosol_flux_sigmag = ', 7(F7.2), / &
1044	' aerosol_mass_fracs_a = ', 7(ES12.4E3) )
1045	23 FORMAT (/' (currently all emissions are soluble!)')
1046
1047	END SUBROUTINE salsa_header
1048
1049	!------------------------------------------------------------------------------!
1050	! Description:
1051	! ------------
1052	!> Allocate SALSA arrays and define pointers if required
1053	!------------------------------------------------------------------------------!
1054	SUBROUTINE salsa_init_arrays
1055
1056	USE chem_gasphase_mod, &
1057	ONLY: nvar
1058
1059	USE surface_mod, &
1060	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
1061
1062	IMPLICIT NONE
1063
1064	INTEGER(iwp) :: gases_available !< Number of available gas components in the chemistry model
1065	INTEGER(iwp) :: i !< loop index for allocating
1066	INTEGER(iwp) :: l !< loop index for allocating: surfaces
1067	INTEGER(iwp) :: lsp !< loop index for chem species in the chemistry model
1068
1069	gases_available = 0
1070	!
1071	!-- Allocate prognostic variables (see salsa_swap_timelevel)
1072	!
1073	!-- Set derived indices:
1074	!-- (This does the same as the subroutine salsa_initialize in SALSA/UCLALES-SALSA)
1075	start_subrange_1a = 1 ! 1st index of subrange 1a
1076	start_subrange_2a = start_subrange_1a + nbin(1) ! 1st index of subrange 2a
1077	end_subrange_1a = start_subrange_2a - 1 ! last index of subrange 1a
1078	end_subrange_2a = end_subrange_1a + nbin(2) ! last index of subrange 2a
1079
1080	!
1081	!-- If the fraction of insoluble aerosols in subrange 2 is zero: do not allocate arrays for them
1082	IF ( nf2a > 0.999999_wp .AND. SUM( mass_fracs_b ) < 0.00001_wp ) THEN
1083	no_insoluble = .TRUE.
1084	start_subrange_2b = end_subrange_2a+1 ! 1st index of subrange 2b
1085	end_subrange_2b = end_subrange_2a ! last index of subrange 2b
1086	ELSE
1087	start_subrange_2b = start_subrange_2a + nbin(2) ! 1st index of subrange 2b
1088	end_subrange_2b = end_subrange_2a + nbin(2) ! last index of subrange 2b
1089	ENDIF
1090
1091	nbins_aerosol = end_subrange_2b ! total number of aerosol size bins
1092	!
1093	!-- Create index tables for different aerosol components
1094	CALL component_index_constructor( prtcl, ncc, maxspec, listspec )
1095
1096	ncomponents_mass = ncc
1097	IF ( advect_particle_water ) ncomponents_mass = ncc + 1 ! Add water
1098
1099	!
1100	!-- Allocate:
1101	ALLOCATE( aero(nbins_aerosol), bc_am_t_val(nbins_aerosol*ncomponents_mass), &
1102	bc_an_t_val(nbins_aerosol), bc_gt_t_val(ngases_salsa), bin_low_limits(nbins_aerosol),&
1103	nsect(nbins_aerosol), massacc(nbins_aerosol) )
1104	ALLOCATE( k_topo_top(nysg:nyng,nxlg:nxrg) )
1105	IF ( nldepo ) ALLOCATE( sedim_vd(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1106	ALLOCATE( ra_dry(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1107
1108	!
1109	!-- Aerosol number concentration
1110	ALLOCATE( aerosol_number(nbins_aerosol) )
1111	ALLOCATE( nconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1112	nconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol), &
1113	nconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nbins_aerosol) )
1114	nconc_1 = 0.0_wp
1115	nconc_2 = 0.0_wp
1116	nconc_3 = 0.0_wp
1117
1118	DO i = 1, nbins_aerosol
1119	aerosol_number(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,i)
1120	aerosol_number(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,i)
1121	aerosol_number(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_3(:,:,:,i)
1122	ALLOCATE( aerosol_number(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1123	aerosol_number(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1124	aerosol_number(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1125	aerosol_number(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1126	aerosol_number(i)%init(nzb:nzt+1), &
1127	aerosol_number(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1128	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1129	ALLOCATE( aerosol_number(i)%source(nys:nyn,nxl:nxr) )
1130	ENDIF
1131	ENDDO
1132
1133	!
1134	!-- Aerosol mass concentration
1135	ALLOCATE( aerosol_mass(ncomponents_mass*nbins_aerosol) )
1136	ALLOCATE( mconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1137	mconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol), &
1138	mconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ncomponents_mass*nbins_aerosol) )
1139	mconc_1 = 0.0_wp
1140	mconc_2 = 0.0_wp
1141	mconc_3 = 0.0_wp
1142
1143	DO i = 1, ncomponents_mass*nbins_aerosol
1144	aerosol_mass(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,i)
1145	aerosol_mass(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,i)
1146	aerosol_mass(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_3(:,:,:,i)
1147	ALLOCATE( aerosol_mass(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1148	aerosol_mass(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1149	aerosol_mass(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1150	aerosol_mass(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1), &
1151	aerosol_mass(i)%init(nzb:nzt+1), &
1152	aerosol_mass(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1153	IF ( include_emission .OR. ( nldepo .AND. nldepo_surf ) ) THEN
1154	ALLOCATE( aerosol_mass(i)%source(nys:nyn,nxl:nxr) )
1155	ENDIF
1156	ENDDO
1157
1158	!
1159	!-- Surface fluxes: answs = aerosol number, amsws = aerosol mass
1160	!
1161	!-- Horizontal surfaces: default type
1162	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1163	ALLOCATE( surf_def_h(l)%answs( 1:surf_def_h(l)%ns, nbins_aerosol ) )
1164	ALLOCATE( surf_def_h(l)%amsws( 1:surf_def_h(l)%ns, nbins_aerosol*ncomponents_mass ) )
1165	surf_def_h(l)%answs = 0.0_wp
1166	surf_def_h(l)%amsws = 0.0_wp
1167	ENDDO
1168	!
1169	!-- Horizontal surfaces: natural type
1170	ALLOCATE( surf_lsm_h%answs( 1:surf_lsm_h%ns, nbins_aerosol ) )
1171	ALLOCATE( surf_lsm_h%amsws( 1:surf_lsm_h%ns, nbins_aerosol*ncomponents_mass ) )
1172	surf_lsm_h%answs = 0.0_wp
1173	surf_lsm_h%amsws = 0.0_wp
1174	!
1175	!-- Horizontal surfaces: urban type
1176	ALLOCATE( surf_usm_h%answs( 1:surf_usm_h%ns, nbins_aerosol ) )
1177	ALLOCATE( surf_usm_h%amsws( 1:surf_usm_h%ns, nbins_aerosol*ncomponents_mass ) )
1178	surf_usm_h%answs = 0.0_wp
1179	surf_usm_h%amsws = 0.0_wp
1180
1181	!
1182	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and westward (l=3) facing
1183	DO l = 0, 3
1184	ALLOCATE( surf_def_v(l)%answs( 1:surf_def_v(l)%ns, nbins_aerosol ) )
1185	surf_def_v(l)%answs = 0.0_wp
1186	ALLOCATE( surf_def_v(l)%amsws( 1:surf_def_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1187	surf_def_v(l)%amsws = 0.0_wp
1188
1189	ALLOCATE( surf_lsm_v(l)%answs( 1:surf_lsm_v(l)%ns, nbins_aerosol ) )
1190	surf_lsm_v(l)%answs = 0.0_wp
1191	ALLOCATE( surf_lsm_v(l)%amsws( 1:surf_lsm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1192	surf_lsm_v(l)%amsws = 0.0_wp
1193
1194	ALLOCATE( surf_usm_v(l)%answs( 1:surf_usm_v(l)%ns, nbins_aerosol ) )
1195	surf_usm_v(l)%answs = 0.0_wp
1196	ALLOCATE( surf_usm_v(l)%amsws( 1:surf_usm_v(l)%ns, nbins_aerosol*ncomponents_mass ) )
1197	surf_usm_v(l)%amsws = 0.0_wp
1198
1199	ENDDO
1200
1201	!
1202	!-- Concentration of gaseous tracers (1. SO4, 2. HNO3, 3. NH3, 4. OCNV, 5. OCSV)
1203	!-- (number concentration (#/m3) )
1204	!
1205	!-- If chemistry is on, read gas phase concentrations from there. Otherwise,
1206	!-- allocate salsa_gas array.
1207
1208	IF ( air_chemistry ) THEN
1209	DO lsp = 1, nvar
1210	SELECT CASE ( TRIM( chem_species(lsp)%name ) )
1211	CASE ( 'H2SO4', 'h2so4' )
1212	gases_available = gases_available + 1
1213	gas_index_chem(1) = lsp
1214	CASE ( 'HNO3', 'hno3' )
1215	gases_available = gases_available + 1
1216	gas_index_chem(2) = lsp
1217	CASE ( 'NH3', 'nh3' )
1218	gases_available = gases_available + 1
1219	gas_index_chem(3) = lsp
1220	CASE ( 'OCNV', 'ocnv' )
1221	gases_available = gases_available + 1
1222	gas_index_chem(4) = lsp
1223	CASE ( 'OCSV', 'ocsv' )
1224	gases_available = gases_available + 1
1225	gas_index_chem(5) = lsp
1226	END SELECT
1227	ENDDO
1228
1229	IF ( gases_available == ngases_salsa ) THEN
1230	salsa_gases_from_chem = .TRUE.
1231	ELSE
1232	WRITE( message_string, * ) 'SALSA is run together with chemistry but not all gaseous '// &
1233	'components are provided by kpp (H2SO4, HNO3, NH3, OCNV, OCSV)'
1234	CALL message( 'check_parameters', 'PA0599', 1, 2, 0, 6, 0 )
1235	ENDIF
1236
1237	ELSE
1238
1239	ALLOCATE( salsa_gas(ngases_salsa) )
1240	ALLOCATE( gconc_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1241	gconc_2(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa), &
1242	gconc_3(nzb:nzt+1,nysg:nyng,nxlg:nxrg,ngases_salsa) )
1243	gconc_1 = 0.0_wp
1244	gconc_2 = 0.0_wp
1245	gconc_3 = 0.0_wp
1246
1247	DO i = 1, ngases_salsa
1248	salsa_gas(i)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,i)
1249	salsa_gas(i)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,i)
1250	salsa_gas(i)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_3(:,:,:,i)
1251	ALLOCATE( salsa_gas(i)%flux_s(nzb+1:nzt,0:threads_per_task-1), &
1252	salsa_gas(i)%diss_s(nzb+1:nzt,0:threads_per_task-1), &
1253	salsa_gas(i)%flux_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1254	salsa_gas(i)%diss_l(nzb+1:nzt,nys:nyn,0:threads_per_task-1),&
1255	salsa_gas(i)%init(nzb:nzt+1), &
1256	salsa_gas(i)%sums_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1257	IF ( include_emission ) ALLOCATE( salsa_gas(i)%source(nys:nys,nxl:nxr) )
1258	ENDDO
1259	!
1260	!-- Surface fluxes: gtsws = gaseous tracer flux
1261	!
1262	!-- Horizontal surfaces: default type
1263	DO l = 0, 2 ! upward (l=0), downward (l=1) and model top (l=2)
1264	ALLOCATE( surf_def_h(l)%gtsws( 1:surf_def_h(l)%ns, ngases_salsa ) )
1265	surf_def_h(l)%gtsws = 0.0_wp
1266	ENDDO
1267	!-- Horizontal surfaces: natural type
1268	ALLOCATE( surf_lsm_h%gtsws( 1:surf_lsm_h%ns, ngases_salsa ) )
1269	surf_lsm_h%gtsws = 0.0_wp
1270	!-- Horizontal surfaces: urban type
1271	ALLOCATE( surf_usm_h%gtsws( 1:surf_usm_h%ns, ngases_salsa ) )
1272	surf_usm_h%gtsws = 0.0_wp
1273	!
1274	!-- Vertical surfaces: northward (l=0), southward (l=1), eastward (l=2) and
1275	!-- westward (l=3) facing
1276	DO l = 0, 3
1277	ALLOCATE( surf_def_v(l)%gtsws( 1:surf_def_v(l)%ns, ngases_salsa ) )
1278	surf_def_v(l)%gtsws = 0.0_wp
1279	ALLOCATE( surf_lsm_v(l)%gtsws( 1:surf_lsm_v(l)%ns, ngases_salsa ) )
1280	surf_lsm_v(l)%gtsws = 0.0_wp
1281	ALLOCATE( surf_usm_v(l)%gtsws( 1:surf_usm_v(l)%ns, ngases_salsa ) )
1282	surf_usm_v(l)%gtsws = 0.0_wp
1283	ENDDO
1284	ENDIF
1285
1286	IF ( ws_scheme_sca ) THEN
1287
1288	IF ( salsa ) THEN
1289	ALLOCATE( sums_salsa_ws_l(nzb:nzt+1,0:threads_per_task-1) )
1290	sums_salsa_ws_l = 0.0_wp
1291	ENDIF
1292
1293	ENDIF
1294
1295	END SUBROUTINE salsa_init_arrays
1296
1297	!------------------------------------------------------------------------------!
1298	! Description:
1299	! ------------
1300	!> Initialization of SALSA. Based on salsa_initialize in UCLALES-SALSA.
1301	!> Subroutines salsa_initialize, SALSAinit and DiagInitAero in UCLALES-SALSA are
1302	!> also merged here.
1303	!------------------------------------------------------------------------------!
1304	SUBROUTINE salsa_init
1305
1306	IMPLICIT NONE
1307
1308	INTEGER(iwp) :: i !<
1309	INTEGER(iwp) :: ib !< loop index for aerosol number bins
1310	INTEGER(iwp) :: ic !< loop index for aerosol mass bins
1311	INTEGER(iwp) :: ig !< loop index for gases
1312	INTEGER(iwp) :: ii !< index for indexing
1313	INTEGER(iwp) :: j !<
1314
1315	IF ( debug_output ) CALL debug_message( 'salsa_init', 'start' )
1316
1317	bin_low_limits = 0.0_wp
1318	k_topo_top = 0
1319	nsect = 0.0_wp
1320	massacc = 1.0_wp
1321
1322	!
1323	!-- Indices for chemical components used (-1 = not used)
1324	ii = 0
1325	IF ( is_used( prtcl, 'SO4' ) ) THEN
1326	index_so4 = get_index( prtcl,'SO4' )
1327	ii = ii + 1
1328	ENDIF
1329	IF ( is_used( prtcl,'OC' ) ) THEN
1330	index_oc = get_index(prtcl, 'OC')
1331	ii = ii + 1
1332	ENDIF
1333	IF ( is_used( prtcl, 'BC' ) ) THEN
1334	index_bc = get_index( prtcl, 'BC' )
1335	ii = ii + 1
1336	ENDIF
1337	IF ( is_used( prtcl, 'DU' ) ) THEN
1338	index_du = get_index( prtcl, 'DU' )
1339	ii = ii + 1
1340	ENDIF
1341	IF ( is_used( prtcl, 'SS' ) ) THEN
1342	index_ss = get_index( prtcl, 'SS' )
1343	ii = ii + 1
1344	ENDIF
1345	IF ( is_used( prtcl, 'NO' ) ) THEN
1346	index_no = get_index( prtcl, 'NO' )
1347	ii = ii + 1
1348	ENDIF
1349	IF ( is_used( prtcl, 'NH' ) ) THEN
1350	index_nh = get_index( prtcl, 'NH' )
1351	ii = ii + 1
1352	ENDIF
1353	!
1354	!-- All species must be known
1355	IF ( ii /= ncc ) THEN
1356	message_string = 'Unknown aerosol species/component(s) given in the initialization'
1357	CALL message( 'salsa_mod: salsa_init', 'PA0600', 1, 2, 0, 6, 0 )
1358	ENDIF
1359	!
1360	!-- Partition and dissolutional growth by gaseous HNO3 and NH3
1361	IF ( index_no > 0 .AND. index_nh > 0 .AND. index_so4 > 0 ) lspartition = .TRUE.
1362	!
1363	!-- Initialise
1364	!
1365	!-- Aerosol size distribution (TYPE t_section)
1366	aero(:)%dwet = 1.0E-10_wp
1367	aero(:)%veqh2o = 1.0E-10_wp
1368	aero(:)%numc = nclim
1369	aero(:)%core = 1.0E-10_wp
1370	DO ic = 1, maxspec+1 ! 1:SO4, 2:OC, 3:BC, 4:DU, 5:SS, 6:NO, 7:NH, 8:H2O
1371	aero(:)%volc(ic) = 0.0_wp
1372	ENDDO
1373
1374	IF ( nldepo ) sedim_vd = 0.0_wp
1375
1376	DO ib = 1, nbins_aerosol
1377	IF ( .NOT. read_restart_data_salsa ) aerosol_number(ib)%conc = nclim
1378	aerosol_number(ib)%conc_p = 0.0_wp
1379	aerosol_number(ib)%tconc_m = 0.0_wp
1380	aerosol_number(ib)%flux_s = 0.0_wp
1381	aerosol_number(ib)%diss_s = 0.0_wp
1382	aerosol_number(ib)%flux_l = 0.0_wp
1383	aerosol_number(ib)%diss_l = 0.0_wp
1384	aerosol_number(ib)%init = nclim
1385	aerosol_number(ib)%sums_ws_l = 0.0_wp
1386	ENDDO
1387	DO ic = 1, ncomponents_mass*nbins_aerosol
1388	IF ( .NOT. read_restart_data_salsa ) aerosol_mass(ic)%conc = mclim
1389	aerosol_mass(ic)%conc_p = 0.0_wp
1390	aerosol_mass(ic)%tconc_m = 0.0_wp
1391	aerosol_mass(ic)%flux_s = 0.0_wp
1392	aerosol_mass(ic)%diss_s = 0.0_wp
1393	aerosol_mass(ic)%flux_l = 0.0_wp
1394	aerosol_mass(ic)%diss_l = 0.0_wp
1395	aerosol_mass(ic)%init = mclim
1396	aerosol_mass(ic)%sums_ws_l = 0.0_wp
1397	ENDDO
1398
1399	IF ( .NOT. salsa_gases_from_chem ) THEN
1400	DO ig = 1, ngases_salsa
1401	salsa_gas(ig)%conc_p = 0.0_wp
1402	salsa_gas(ig)%tconc_m = 0.0_wp
1403	salsa_gas(ig)%flux_s = 0.0_wp
1404	salsa_gas(ig)%diss_s = 0.0_wp
1405	salsa_gas(ig)%flux_l = 0.0_wp
1406	salsa_gas(ig)%diss_l = 0.0_wp
1407	salsa_gas(ig)%sums_ws_l = 0.0_wp
1408	ENDDO
1409	IF ( .NOT. read_restart_data_salsa ) THEN
1410	salsa_gas(1)%conc = h2so4_init
1411	salsa_gas(2)%conc = hno3_init
1412	salsa_gas(3)%conc = nh3_init
1413	salsa_gas(4)%conc = ocnv_init
1414	salsa_gas(5)%conc = ocsv_init
1415	ENDIF
1416	!
1417	!-- Set initial value for gas compound tracers and initial values
1418	salsa_gas(1)%init = h2so4_init
1419	salsa_gas(2)%init = hno3_init
1420	salsa_gas(3)%init = nh3_init
1421	salsa_gas(4)%init = ocnv_init
1422	salsa_gas(5)%init = ocsv_init
1423	ENDIF
1424	!
1425	!-- Aerosol radius in each bin: dry and wet (m)
1426	ra_dry = 1.0E-10_wp
1427	!
1428	!-- Initialise aerosol tracers
1429	aero(:)%vhilim = 0.0_wp
1430	aero(:)%vlolim = 0.0_wp
1431	aero(:)%vratiohi = 0.0_wp
1432	aero(:)%vratiolo = 0.0_wp
1433	aero(:)%dmid = 0.0_wp
1434	!
1435	!-- Initialise the sectional particle size distribution
1436	CALL set_sizebins
1437	!
1438	!-- Initialise location-dependent aerosol size distributions and chemical compositions:
1439	CALL aerosol_init
1440	!
1441	!-- Initalisation run of SALSA + calculate the vertical top index of the topography
1442	DO i = nxl, nxr
1443	DO j = nys, nyn
1444
1445	k_topo_top(j,i) = MAXLOC( MERGE( 1, 0, BTEST( wall_flags_0(:,j,i), 12 ) ), DIM = 1 ) - 1
1446
1447	CALL salsa_driver( i, j, 1 )
1448	CALL salsa_diagnostics( i, j )
1449	ENDDO
1450	ENDDO
1451	!
1452	!-- Initialise the deposition scheme and surface types
1453	IF ( nldepo ) CALL init_deposition
1454
1455	IF ( include_emission ) THEN
1456	!
1457	!-- Read in and initialize emissions
1458	CALL salsa_emission_setup( .TRUE. )
1459	IF ( .NOT. salsa_gases_from_chem .AND. include_emission ) THEN
1460	CALL salsa_gas_emission_setup( .TRUE. )
1461	ENDIF
1462	ENDIF
1463
1464	IF ( debug_output ) CALL debug_message( 'salsa_init', 'end' )
1465
1466	END SUBROUTINE salsa_init
1467
1468	!------------------------------------------------------------------------------!
1469	! Description:
1470	! ------------
1471	!> Initializes particle size distribution grid by calculating size bin limits
1472	!> and mid-size for dry particles in each bin. Called from salsa_initialize
1473	!> (only at the beginning of simulation).
1474	!> Size distribution described using:
1475	!> 1) moving center method (subranges 1 and 2)
1476	!> (Jacobson, Atmos. Env., 31, 131-144, 1997)
1477	!> 2) fixed sectional method (subrange 3)
1478	!> Size bins in each subrange are spaced logarithmically
1479	!> based on given subrange size limits and bin number.
1480	!
1481	!> Mona changed 06/2017: Use geometric mean diameter to describe the mean
1482	!> particle diameter in a size bin, not the arithmeric mean which clearly
1483	!> overestimates the total particle volume concentration.
1484	!
1485	!> Coded by:
1486	!> Hannele Korhonen (FMI) 2005
1487	!> Harri Kokkola (FMI) 2006
1488	!
1489	!> Bug fixes for box model + updated for the new aerosol datatype:
1490	!> Juha Tonttila (FMI) 2014
1491	!------------------------------------------------------------------------------!
1492	SUBROUTINE set_sizebins
1493
1494	IMPLICIT NONE
1495
1496	INTEGER(iwp) :: cc !< running index
1497	INTEGER(iwp) :: dd !< running index
1498
1499	REAL(wp) :: ratio_d !< ratio of the upper and lower diameter of subranges
1500	!
1501	!-- vlolim&vhilim: min & max dry volumes [fxm]
1502	!-- dmid: bin mid dry diameter (m)
1503	!-- vratiolo&vratiohi: volume ratio between the center and low/high limit
1504	!
1505	!-- 1) Size subrange 1:
1506	ratio_d = reglim(2) / reglim(1) ! section spacing (m)
1507	DO cc = start_subrange_1a, end_subrange_1a
1508	aero(cc)%vlolim = api6 * ( reglim(1) * ratio_d( REAL( cc-1 ) / nbin(1) ) )3
1509	aero(cc)%vhilim = api6 * ( reglim(1) * ratio_d( REAL( cc ) / nbin(1) ) )3
1510	aero(cc)%dmid = SQRT( ( aero(cc)%vhilim / api6 )*0.33333333_wp &
1511	( aero(cc)%vlolim / api6 )**0.33333333_wp )
1512	aero(cc)%vratiohi = aero(cc)%vhilim / ( api6 * aero(cc)%dmid**3 )
1513	aero(cc)%vratiolo = aero(cc)%vlolim / ( api6 * aero(cc)%dmid**3 )
1514	ENDDO
1515	!
1516	!-- 2) Size subrange 2:
1517	!-- 2.1) Sub-subrange 2a: high hygroscopicity
1518	ratio_d = reglim(3) / reglim(2) ! section spacing
1519	DO dd = start_subrange_2a, end_subrange_2a
1520	cc = dd - start_subrange_2a
1521	aero(dd)%vlolim = api6 * ( reglim(2) * ratio_d( REAL( cc ) / nbin(2) ) )3
1522	aero(dd)%vhilim = api6 * ( reglim(2) * ratio_d( REAL( cc+1 ) / nbin(2) ) )3
1523	aero(dd)%dmid = SQRT( ( aero(dd)%vhilim / api6 )*0.33333333_wp &
1524	( aero(dd)%vlolim / api6 )**0.33333333_wp )
1525	aero(dd)%vratiohi = aero(dd)%vhilim / ( api6 * aero(dd)%dmid**3 )
1526	aero(dd)%vratiolo = aero(dd)%vlolim / ( api6 * aero(dd)%dmid**3 )
1527	ENDDO
1528	!
1529	!-- 2.2) Sub-subrange 2b: low hygroscopicity
1530	IF ( .NOT. no_insoluble ) THEN
1531	aero(start_subrange_2b:end_subrange_2b)%vlolim = aero(start_subrange_2a:end_subrange_2a)%vlolim
1532	aero(start_subrange_2b:end_subrange_2b)%vhilim = aero(start_subrange_2a:end_subrange_2a)%vhilim
1533	aero(start_subrange_2b:end_subrange_2b)%dmid = aero(start_subrange_2a:end_subrange_2a)%dmid
1534	aero(start_subrange_2b:end_subrange_2b)%vratiohi = aero(start_subrange_2a:end_subrange_2a)%vratiohi
1535	aero(start_subrange_2b:end_subrange_2b)%vratiolo = aero(start_subrange_2a:end_subrange_2a)%vratiolo
1536	ENDIF
1537	!
1538	!-- Initialize the wet diameter with the bin dry diameter to avoid numerical problems later
1539	aero(:)%dwet = aero(:)%dmid
1540	!
1541	!-- Save bin limits (lower diameter) to be delivered to PALM if needed
1542	DO cc = 1, nbins_aerosol
1543	bin_low_limits(cc) = ( aero(cc)%vlolim / api6 )**0.33333333_wp
1544	ENDDO
1545
1546	END SUBROUTINE set_sizebins
1547
1548	!------------------------------------------------------------------------------!
1549	! Description:
1550	! ------------
1551	!> Initilize altitude-dependent aerosol size distributions and compositions.
1552	!>
1553	!> Mona added 06/2017: Correct the number and mass concentrations by normalizing
1554	!< by the given total number and mass concentration.
1555	!>
1556	!> Tomi Raatikainen, FMI, 29.2.2016
1557	!------------------------------------------------------------------------------!
1558	SUBROUTINE aerosol_init
1559
1560	USE netcdf_data_input_mod, &
1561	ONLY: get_attribute, get_variable, netcdf_data_input_get_dimension_length, open_read_file
1562
1563	IMPLICIT NONE
1564
1565	CHARACTER(LEN=25), DIMENSION(:), ALLOCATABLE :: cc_name !< chemical component name
1566
1567	INTEGER(iwp) :: ee !< index: end
1568	INTEGER(iwp) :: i !< loop index: x-direction
1569	INTEGER(iwp) :: ib !< loop index: size bins
1570	INTEGER(iwp) :: ic !< loop index: chemical components
1571	INTEGER(iwp) :: id_dyn !< NetCDF id of PIDS_DYNAMIC_SALSA
1572	INTEGER(iwp) :: ig !< loop index: gases
1573	INTEGER(iwp) :: j !< loop index: y-direction
1574	INTEGER(iwp) :: k !< loop index: z-direction
1575	INTEGER(iwp) :: lod_aero !< level of detail of inital aerosol concentrations
1576	INTEGER(iwp) :: pr_nbins !< Number of aerosol size bins in file
1577	INTEGER(iwp) :: pr_ncc !< Number of aerosol chemical components in file
1578	INTEGER(iwp) :: pr_nz !< Number of vertical grid-points in file
1579	INTEGER(iwp) :: prunmode !< running mode of SALSA
1580	INTEGER(iwp) :: ss !< index: start
1581
1582	INTEGER(iwp), DIMENSION(maxspec) :: cc_input_to_model
1583
1584	LOGICAL :: netcdf_extend = .FALSE. !< Flag: netcdf file exists
1585
1586	REAL(wp) :: flag !< flag to mask topography grid points
1587
1588	REAL(wp), DIMENSION(nbins_aerosol) :: core !< size of the bin mid aerosol particle
1589	REAL(wp), DIMENSION(nbins_aerosol) :: nsect !< size distribution (#/m3)
1590
1591	REAL(wp), DIMENSION(0:nz+1) :: pnf2a !< number fraction in 2a
1592	REAL(wp), DIMENSION(0:nz+1) :: pmfoc1a !< mass fraction of OC in 1a
1593
1594	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol) :: pndist !< size dist as a function of height (#/m3)
1595	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2a !< mass distributions in subrange 2a
1596	REAL(wp), DIMENSION(0:nz+1,maxspec) :: pmf2b !< mass distributions in subrange 2b
1597
1598	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_dmid !< vertical profile of aerosol bin diameters
1599	REAL(wp), DIMENSION(:), ALLOCATABLE :: pr_z !< z levels of profiles
1600
1601	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_a !< mass fraction: a
1602	REAL(wp), DIMENSION(:,:), ALLOCATABLE :: pr_mass_fracs_b !< and b
1603
1604	cc_input_to_model = 0
1605	prunmode = 1
1606	!
1607	!-- Bin mean aerosol particle volume (m3)
1608	core(:) = 0.0_wp
1609	core(1:nbins_aerosol) = api6 * aero(1:nbins_aerosol)%dmid**3
1610	!
1611	!-- Set concentrations to zero
1612	nsect(:) = 0.0_wp
1613	pndist(:,:) = 0.0_wp
1614	pnf2a(:) = nf2a
1615	pmf2a(:,:) = 0.0_wp
1616	pmf2b(:,:) = 0.0_wp
1617	pmfoc1a(:) = 0.0_wp
1618
1619	IF ( init_aerosol_type == 1 ) THEN
1620	!
1621	!-- Read input profiles from PIDS_DYNAMIC_SALSA
1622	#if defined( __netcdf )
1623	!
1624	!-- Location-dependent size distributions and compositions.
1625	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1626	IF ( netcdf_extend ) THEN
1627	!
1628	!-- Open file in read-only mode
1629	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
1630	!
1631	!-- Inquire dimensions:
1632	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_nz, 'z' )
1633	IF ( pr_nz /= nz ) THEN
1634	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
1635	'the number of numeric grid points.'
1636	CALL message( 'aerosol_init', 'PA0601', 1, 2, 0, 6, 0 )
1637	ENDIF
1638	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_ncc, 'composition_index' )
1639	!
1640	!-- Allocate memory
1641	ALLOCATE( pr_z(1:pr_nz), pr_mass_fracs_a(nzb:nzt+1,pr_ncc), &
1642	pr_mass_fracs_b(nzb:nzt+1,pr_ncc) )
1643	pr_mass_fracs_a = 0.0_wp
1644	pr_mass_fracs_b = 0.0_wp
1645	!
1646	!-- Read vertical levels
1647	CALL get_variable( id_dyn, 'z', pr_z )
1648	!
1649	!-- Read name and index of chemical components
1650	CALL get_variable( id_dyn, 'composition_name', cc_name, pr_ncc )
1651	DO ic = 1, pr_ncc
1652	SELECT CASE ( TRIM( cc_name(ic) ) )
1653	CASE ( 'H2SO4', 'SO4', 'h2so4', 'so4' )
1654	cc_input_to_model(1) = ic
1655	CASE ( 'OC', 'oc' )
1656	cc_input_to_model(2) = ic
1657	CASE ( 'BC', 'bc' )
1658	cc_input_to_model(3) = ic
1659	CASE ( 'DU', 'du' )
1660	cc_input_to_model(4) = ic
1661	CASE ( 'SS', 'ss' )
1662	cc_input_to_model(5) = ic
1663	CASE ( 'HNO3', 'hno3', 'NO', 'no' )
1664	cc_input_to_model(6) = ic
1665	CASE ( 'NH3', 'nh3', 'NH', 'nh' )
1666	cc_input_to_model(7) = ic
1667	END SELECT
1668	ENDDO
1669
1670	IF ( SUM( cc_input_to_model ) == 0 ) THEN
1671	message_string = 'None of the aerosol chemical components in ' // TRIM( &
1672	input_file_dynamic ) // ' correspond to ones applied in SALSA.'
1673	CALL message( 'salsa_mod: aerosol_init', 'PA0602', 2, 2, 0, 6, 0 )
1674	ENDIF
1675	!
1676	!-- Vertical profiles of mass fractions of different chemical components:
1677	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_a', pr_mass_fracs_a, &
1678	0, pr_ncc-1, 0, pr_nz-1 )
1679	CALL get_variable( id_dyn, 'init_atmosphere_mass_fracs_b', pr_mass_fracs_b, &
1680	0, pr_ncc-1, 0, pr_nz-1 )
1681	!
1682	!-- Match the input data with the chemical composition applied in the model
1683	DO ic = 1, maxspec
1684	ss = cc_input_to_model(ic)
1685	IF ( ss == 0 ) CYCLE
1686	pmf2a(nzb+1:nzt+1,ic) = pr_mass_fracs_a(nzb:nzt,ss)
1687	pmf2b(nzb+1:nzt+1,ic) = pr_mass_fracs_b(nzb:nzt,ss)
1688	ENDDO
1689	!
1690	!-- Aerosol concentrations: lod=1 (total PM) or lod=2 (sectional number size distribution)
1691	CALL get_attribute( id_dyn, 'lod', lod_aero, .FALSE., 'init_atmosphere_aerosol' )
1692	IF ( lod_aero /= 1 ) THEN
1693	message_string = 'Currently only lod=1 accepted for init_atmosphere_aerosol'
1694	CALL message( 'salsa_mod: aerosol_init', 'PA0603', 2, 2, 0, 6, 0 )
1695	ELSE
1696	!
1697	!-- Bin mean diameters in the input file
1698	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_nbins, 'Dmid')
1699	IF ( pr_nbins /= nbins_aerosol ) THEN
1700	message_string = 'Number of size bins in init_atmosphere_aerosol does not match ' &
1701	// 'with that applied in the model'
1702	CALL message( 'salsa_mod: aerosol_init', 'PA0604', 2, 2, 0, 6, 0 )
1703	ENDIF
1704
1705	ALLOCATE( pr_dmid(pr_nbins) )
1706	pr_dmid = 0.0_wp
1707
1708	CALL get_variable( id_dyn, 'Dmid', pr_dmid )
1709	!
1710	!-- Check whether the sectional representation conform to the one
1711	!-- applied in the model
1712	IF ( ANY( ABS( ( aero(1:nbins_aerosol)%dmid - pr_dmid ) / &
1713	aero(1:nbins_aerosol)%dmid ) > 0.1_wp ) ) THEN
1714	message_string = 'Mean diameters of the aerosol size bins in ' // TRIM( &
1715	input_file_dynamic ) // ' do not match with the sectional '// &
1716	'representation of the model.'
1717	CALL message( 'salsa_mod: aerosol_init', 'PA0605', 2, 2, 0, 6, 0 )
1718	ENDIF
1719	!
1720	!-- Inital aerosol concentrations
1721	CALL get_variable( id_dyn, 'init_atmosphere_aerosol', pndist(nzb+1:nzt,:), &
1722	0, pr_nbins-1, 0, pr_nz-1 )
1723	ENDIF
1724	!
1725	!-- Set bottom and top boundary condition (Neumann)
1726	pmf2a(nzb,:) = pmf2a(nzb+1,:)
1727	pmf2a(nzt+1,:) = pmf2a(nzt,:)
1728	pmf2b(nzb,:) = pmf2b(nzb+1,:)
1729	pmf2b(nzt+1,:) = pmf2b(nzt,:)
1730	pndist(nzb,:) = pndist(nzb+1,:)
1731	pndist(nzt+1,:) = pndist(nzt,:)
1732
1733	IF ( index_so4 < 0 ) THEN
1734	pmf2a(:,1) = 0.0_wp
1735	pmf2b(:,1) = 0.0_wp
1736	ENDIF
1737	IF ( index_oc < 0 ) THEN
1738	pmf2a(:,2) = 0.0_wp
1739	pmf2b(:,2) = 0.0_wp
1740	ENDIF
1741	IF ( index_bc < 0 ) THEN
1742	pmf2a(:,3) = 0.0_wp
1743	pmf2b(:,3) = 0.0_wp
1744	ENDIF
1745	IF ( index_du < 0 ) THEN
1746	pmf2a(:,4) = 0.0_wp
1747	pmf2b(:,4) = 0.0_wp
1748	ENDIF
1749	IF ( index_ss < 0 ) THEN
1750	pmf2a(:,5) = 0.0_wp
1751	pmf2b(:,5) = 0.0_wp
1752	ENDIF
1753	IF ( index_no < 0 ) THEN
1754	pmf2a(:,6) = 0.0_wp
1755	pmf2b(:,6) = 0.0_wp
1756	ENDIF
1757	IF ( index_nh < 0 ) THEN
1758	pmf2a(:,7) = 0.0_wp
1759	pmf2b(:,7) = 0.0_wp
1760	ENDIF
1761
1762	IF ( SUM( pmf2a ) < 0.00001_wp .AND. SUM( pmf2b ) < 0.00001_wp ) THEN
1763	message_string = 'Error in initialising mass fractions of chemical components. ' // &
1764	'Check that all chemical components are included in parameter file!'
1765	CALL message( 'salsa_mod: aerosol_init', 'PA0606', 2, 2, 0, 6, 0 )
1766	ENDIF
1767	!
1768	!-- Then normalise the mass fraction so that SUM = 1
1769	DO k = nzb, nzt+1
1770	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
1771	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
1772	ENDDO
1773
1774	DEALLOCATE( pr_z, pr_mass_fracs_a, pr_mass_fracs_b )
1775
1776	ELSE
1777	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
1778	' for SALSA missing!'
1779	CALL message( 'salsa_mod: aerosol_init', 'PA0607', 1, 2, 0, 6, 0 )
1780
1781	ENDIF ! netcdf_extend
1782
1783	#else
1784	message_string = 'init_aerosol_type = 1 but preprocessor directive __netcdf is not used '// &
1785	'in compiling!'
1786	CALL message( 'salsa_mod: aerosol_init', 'PA0608', 1, 2, 0, 6, 0 )
1787
1788	#endif
1789
1790	ELSEIF ( init_aerosol_type == 0 ) THEN
1791	!
1792	!-- Mass fractions for species in a and b-bins
1793	IF ( index_so4 > 0 ) THEN
1794	pmf2a(:,1) = mass_fracs_a(index_so4)
1795	pmf2b(:,1) = mass_fracs_b(index_so4)
1796	ENDIF
1797	IF ( index_oc > 0 ) THEN
1798	pmf2a(:,2) = mass_fracs_a(index_oc)
1799	pmf2b(:,2) = mass_fracs_b(index_oc)
1800	ENDIF
1801	IF ( index_bc > 0 ) THEN
1802	pmf2a(:,3) = mass_fracs_a(index_bc)
1803	pmf2b(:,3) = mass_fracs_b(index_bc)
1804	ENDIF
1805	IF ( index_du > 0 ) THEN
1806	pmf2a(:,4) = mass_fracs_a(index_du)
1807	pmf2b(:,4) = mass_fracs_b(index_du)
1808	ENDIF
1809	IF ( index_ss > 0 ) THEN
1810	pmf2a(:,5) = mass_fracs_a(index_ss)
1811	pmf2b(:,5) = mass_fracs_b(index_ss)
1812	ENDIF
1813	IF ( index_no > 0 ) THEN
1814	pmf2a(:,6) = mass_fracs_a(index_no)
1815	pmf2b(:,6) = mass_fracs_b(index_no)
1816	ENDIF
1817	IF ( index_nh > 0 ) THEN
1818	pmf2a(:,7) = mass_fracs_a(index_nh)
1819	pmf2b(:,7) = mass_fracs_b(index_nh)
1820	ENDIF
1821	DO k = nzb, nzt+1
1822	pmf2a(k,:) = pmf2a(k,:) / SUM( pmf2a(k,:) )
1823	IF ( SUM( pmf2b(k,:) ) > 0.0_wp ) pmf2b(k,:) = pmf2b(k,:) / SUM( pmf2b(k,:) )
1824	ENDDO
1825
1826	CALL size_distribution( n_lognorm, dpg, sigmag, nsect )
1827	!
1828	!-- Normalize by the given total number concentration
1829	nsect = nsect * SUM( n_lognorm ) / SUM( nsect )
1830	DO ib = start_subrange_1a, end_subrange_2b
1831	pndist(:,ib) = nsect(ib)
1832	ENDDO
1833	ENDIF
1834
1835	IF ( init_gases_type == 1 ) THEN
1836	!
1837	!-- Read input profiles from PIDS_CHEM
1838	#if defined( __netcdf )
1839	!
1840	!-- Location-dependent size distributions and compositions.
1841	INQUIRE( FILE = TRIM( input_file_dynamic ) // TRIM( coupling_char ), EXIST = netcdf_extend )
1842	IF ( netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
1843	!
1844	!-- Open file in read-only mode
1845	CALL open_read_file( TRIM( input_file_dynamic ) // TRIM( coupling_char ), id_dyn )
1846	!
1847	!-- Inquire dimensions:
1848	CALL netcdf_data_input_get_dimension_length( id_dyn, pr_nz, 'z' )
1849	IF ( pr_nz /= nz ) THEN
1850	WRITE( message_string, * ) 'Number of inifor horizontal grid points does not match '//&
1851	'the number of numeric grid points.'
1852	CALL message( 'aerosol_init', 'PA0609', 1, 2, 0, 6, 0 )
1853	ENDIF
1854	!
1855	!-- Read vertical profiles of gases:
1856	CALL get_variable( id_dyn, 'init_atmosphere_h2so4', salsa_gas(1)%init(nzb+1:nzt) )
1857	CALL get_variable( id_dyn, 'init_atmosphere_hno3', salsa_gas(2)%init(nzb+1:nzt) )
1858	CALL get_variable( id_dyn, 'init_atmosphere_nh3', salsa_gas(3)%init(nzb+1:nzt) )
1859	CALL get_variable( id_dyn, 'init_atmosphere_ocnv', salsa_gas(4)%init(nzb+1:nzt) )
1860	CALL get_variable( id_dyn, 'init_atmosphere_ocsv', salsa_gas(5)%init(nzb+1:nzt) )
1861	!
1862	!-- Set Neumann top and surface boundary condition for initial + initialise concentrations
1863	DO ig = 1, ngases_salsa
1864	salsa_gas(ig)%init(nzb) = salsa_gas(ig)%init(nzb+1)
1865	salsa_gas(ig)%init(nzt+1) = salsa_gas(ig)%init(nzt)
1866	DO k = nzb, nzt+1
1867	salsa_gas(ig)%conc(k,:,:) = salsa_gas(ig)%init(k)
1868	ENDDO
1869	ENDDO
1870
1871	ELSEIF ( .NOT. netcdf_extend .AND. .NOT. salsa_gases_from_chem ) THEN
1872	message_string = 'Input file '// TRIM( input_file_dynamic ) // TRIM( coupling_char ) // &
1873	' for SALSA missing!'
1874	CALL message( 'salsa_mod: aerosol_init', 'PA0610', 1, 2, 0, 6, 0 )
1875	ENDIF ! netcdf_extend
1876	#else
1877	message_string = 'init_gases_type = 1 but preprocessor directive __netcdf is not used in '//&
1878	'compiling!'
1879	CALL message( 'salsa_mod: aerosol_init', 'PA0611', 1, 2, 0, 6, 0 )
1880
1881	#endif
1882
1883	ENDIF
1884	!
1885	!-- Both SO4 and OC are included, so use the given mass fractions
1886	IF ( index_oc > 0 .AND. index_so4 > 0 ) THEN
1887	pmfoc1a(:) = pmf2a(:,2) / ( pmf2a(:,2) + pmf2a(:,1) ) ! Normalize
1888	!
1889	!-- Pure organic carbon
1890	ELSEIF ( index_oc > 0 ) THEN
1891	pmfoc1a(:) = 1.0_wp
1892	!
1893	!-- Pure SO4
1894	ELSEIF ( index_so4 > 0 ) THEN
1895	pmfoc1a(:) = 0.0_wp
1896
1897	ELSE
1898	message_string = 'Either OC or SO4 must be active for aerosol region 1a!'
1899	CALL message( 'salsa_mod: aerosol_init', 'PA0612', 1, 2, 0, 6, 0 )
1900	ENDIF
1901
1902	!
1903	!-- Initialize concentrations
1904	DO i = nxlg, nxrg
1905	DO j = nysg, nyng
1906	DO k = nzb, nzt+1
1907	!
1908	!-- Predetermine flag to mask topography
1909	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
1910	!
1911	!-- a) Number concentrations
1912	!-- Region 1:
1913	DO ib = start_subrange_1a, end_subrange_1a
1914	aerosol_number(ib)%conc(k,j,i) = pndist(k,ib) * flag
1915	IF ( prunmode == 1 ) THEN
1916	aerosol_number(ib)%init = pndist(:,ib)
1917	ENDIF
1918	ENDDO
1919	!
1920	!-- Region 2:
1921	IF ( nreg > 1 ) THEN
1922	DO ib = start_subrange_2a, end_subrange_2a
1923	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, pnf2a(k) ) * pndist(k,ib) * flag
1924	IF ( prunmode == 1 ) THEN
1925	aerosol_number(ib)%init = MAX( 0.0_wp, nf2a ) * pndist(:,ib)
1926	ENDIF
1927	ENDDO
1928	IF ( .NOT. no_insoluble ) THEN
1929	DO ib = start_subrange_2b, end_subrange_2b
1930	IF ( pnf2a(k) < 1.0_wp ) THEN
1931	aerosol_number(ib)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pnf2a(k) ) * &
1932	pndist(k,ib) * flag
1933	IF ( prunmode == 1 ) THEN
1934	aerosol_number(ib)%init = MAX( 0.0_wp, 1.0_wp - nf2a ) * pndist(:,ib)
1935	ENDIF
1936	ENDIF
1937	ENDDO
1938	ENDIF
1939	ENDIF
1940	!
1941	!-- b) Aerosol mass concentrations
1942	!-- bin subrange 1: done here separately due to the SO4/OC convention
1943	!
1944	!-- SO4:
1945	IF ( index_so4 > 0 ) THEN
1946	ss = ( index_so4 - 1 ) * nbins_aerosol + start_subrange_1a !< start
1947	ee = ( index_so4 - 1 ) * nbins_aerosol + end_subrange_1a !< end
1948	ib = start_subrange_1a
1949	DO ic = ss, ee
1950	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib)&
1951	* core(ib) * arhoh2so4 * flag
1952	IF ( prunmode == 1 ) THEN
1953	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, 1.0_wp - pmfoc1a(k) ) * pndist(k,ib) &
1954	* core(ib) * arhoh2so4
1955	ENDIF
1956	ib = ib+1
1957	ENDDO
1958	ENDIF
1959	!
1960	!-- OC:
1961	IF ( index_oc > 0 ) THEN
1962	ss = ( index_oc - 1 ) * nbins_aerosol + start_subrange_1a !< start
1963	ee = ( index_oc - 1 ) * nbins_aerosol + end_subrange_1a !< end
1964	ib = start_subrange_1a
1965	DO ic = ss, ee
1966	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
1967	core(ib) * arhooc * flag
1968	IF ( prunmode == 1 ) THEN
1969	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmfoc1a(k) ) * pndist(k,ib) * &
1970	core(ib) * arhooc
1971	ENDIF
1972	ib = ib+1
1973	ENDDO
1974	ENDIF
1975	ENDDO !< k
1976
1977	prunmode = 3 ! Init only once
1978
1979	ENDDO !< j
1980	ENDDO !< i
1981
1982	!
1983	!-- c) Aerosol mass concentrations
1984	!-- bin subrange 2:
1985	IF ( nreg > 1 ) THEN
1986
1987	IF ( index_so4 > 0 ) THEN
1988	CALL set_aero_mass( index_so4, pmf2a(:,1), pmf2b(:,1), pnf2a, pndist, core, arhoh2so4 )
1989	ENDIF
1990	IF ( index_oc > 0 ) THEN
1991	CALL set_aero_mass( index_oc, pmf2a(:,2), pmf2b(:,2), pnf2a, pndist, core, arhooc )
1992	ENDIF
1993	IF ( index_bc > 0 ) THEN
1994	CALL set_aero_mass( index_bc, pmf2a(:,3), pmf2b(:,3), pnf2a, pndist, core, arhobc )
1995	ENDIF
1996	IF ( index_du > 0 ) THEN
1997	CALL set_aero_mass( index_du, pmf2a(:,4), pmf2b(:,4), pnf2a, pndist, core, arhodu )
1998	ENDIF
1999	IF ( index_ss > 0 ) THEN
2000	CALL set_aero_mass( index_ss, pmf2a(:,5), pmf2b(:,5), pnf2a, pndist, core, arhoss )
2001	ENDIF
2002	IF ( index_no > 0 ) THEN
2003	CALL set_aero_mass( index_no, pmf2a(:,6), pmf2b(:,6), pnf2a, pndist, core, arhohno3 )
2004	ENDIF
2005	IF ( index_nh > 0 ) THEN
2006	CALL set_aero_mass( index_nh, pmf2a(:,7), pmf2b(:,7), pnf2a, pndist, core, arhonh3 )
2007	ENDIF
2008
2009	ENDIF
2010
2011	END SUBROUTINE aerosol_init
2012
2013	!------------------------------------------------------------------------------!
2014	! Description:
2015	! ------------
2016	!> Create a lognormal size distribution and discretise to a sectional
2017	!> representation.
2018	!------------------------------------------------------------------------------!
2019	SUBROUTINE size_distribution( in_ntot, in_dpg, in_sigma, psd_sect )
2020
2021	IMPLICIT NONE
2022
2023	INTEGER(iwp) :: ib !< running index: bin
2024	INTEGER(iwp) :: iteration !< running index: iteration
2025
2026	REAL(wp) :: d1 !< particle diameter (m, dummy)
2027	REAL(wp) :: d2 !< particle diameter (m, dummy)
2028	REAL(wp) :: delta_d !< (d2-d1)/10
2029	REAL(wp) :: deltadp !< bin width
2030	REAL(wp) :: dmidi !< ( d1 + d2 ) / 2
2031
2032	REAL(wp), DIMENSION(:), INTENT(in) :: in_dpg !< geometric mean diameter (m)
2033	REAL(wp), DIMENSION(:), INTENT(in) :: in_ntot !< number conc. (#/m3)
2034	REAL(wp), DIMENSION(:), INTENT(in) :: in_sigma !< standard deviation
2035
2036	REAL(wp), DIMENSION(:), INTENT(inout) :: psd_sect !< sectional size distribution
2037
2038	DO ib = start_subrange_1a, end_subrange_2b
2039	psd_sect(ib) = 0.0_wp
2040	!
2041	!-- Particle diameter at the low limit (largest in the bin) (m)
2042	d1 = ( aero(ib)%vlolim / api6 )**0.33333333_wp
2043	!
2044	!-- Particle diameter at the high limit (smallest in the bin) (m)
2045	d2 = ( aero(ib)%vhilim / api6 )**0.33333333_wp
2046	!
2047	!-- Span of particle diameter in a bin (m)
2048	delta_d = 0.1_wp * ( d2 - d1 )
2049	!
2050	!-- Iterate:
2051	DO iteration = 1, 10
2052	d1 = ( aero(ib)%vlolim / api6 )*0.33333333_wp + ( ib - 1) delta_d
2053	d2 = d1 + delta_d
2054	dmidi = 0.5_wp * ( d1 + d2 )
2055	deltadp = LOG10( d2 / d1 )
2056	!
2057	!-- Size distribution
2058	!-- in_ntot = total number, total area, or total volume concentration
2059	!-- in_dpg = geometric-mean number, area, or volume diameter
2060	!-- n(k) = number, area, or volume concentration in a bin
2061	psd_sect(ib) = psd_sect(ib) + SUM( in_ntot * deltadp / ( SQRT( 2.0_wp * pi ) * &
2062	LOG10( in_sigma ) ) * EXP( -LOG10( dmidi / in_dpg )**2.0_wp / &
2063	( 2.0_wp * LOG10( in_sigma ) ** 2.0_wp ) ) )
2064
2065	ENDDO
2066	ENDDO
2067
2068	END SUBROUTINE size_distribution
2069
2070	!------------------------------------------------------------------------------!
2071	! Description:
2072	! ------------
2073	!> Sets the mass concentrations to aerosol arrays in 2a and 2b.
2074	!>
2075	!> Tomi Raatikainen, FMI, 29.2.2016
2076	!------------------------------------------------------------------------------!
2077	SUBROUTINE set_aero_mass( ispec, pmf2a, pmf2b, pnf2a, pndist, pcore, prho )
2078
2079	IMPLICIT NONE
2080
2081	INTEGER(iwp) :: ee !< index: end
2082	INTEGER(iwp) :: i !< loop index
2083	INTEGER(iwp) :: ib !< loop index
2084	INTEGER(iwp) :: ic !< loop index
2085	INTEGER(iwp) :: j !< loop index
2086	INTEGER(iwp) :: k !< loop index
2087	INTEGER(iwp) :: prunmode !< 1 = initialise
2088	INTEGER(iwp) :: ss !< index: start
2089
2090	INTEGER(iwp), INTENT(in) :: ispec !< Aerosol species index
2091
2092	REAL(wp) :: flag !< flag to mask topography grid points
2093
2094	REAL(wp), INTENT(in) :: prho !< Aerosol density
2095
2096	REAL(wp), DIMENSION(nbins_aerosol), INTENT(in) :: pcore !< Aerosol bin mid core volume
2097	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pnf2a !< Number fraction for 2a
2098	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2a !< Mass distributions for a
2099	REAL(wp), DIMENSION(0:nz+1), INTENT(in) :: pmf2b !< and b bins
2100
2101	REAL(wp), DIMENSION(0:nz+1,nbins_aerosol), INTENT(in) :: pndist !< Aerosol size distribution
2102
2103	prunmode = 1
2104
2105	DO i = nxlg, nxrg
2106	DO j = nysg, nyng
2107	DO k = nzb, nzt+1
2108	!
2109	!-- Predetermine flag to mask topography
2110	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2111	!
2112	!-- Regime 2a:
2113	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2a
2114	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2a
2115	ib = start_subrange_2a
2116	DO ic = ss, ee
2117	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2118	pcore(ib) * prho * flag
2119	IF ( prunmode == 1 ) THEN
2120	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2a(k) ) * pnf2a(k) * pndist(k,ib) * &
2121	pcore(ib) * prho
2122	ENDIF
2123	ib = ib + 1
2124	ENDDO
2125	!
2126	!-- Regime 2b:
2127	IF ( .NOT. no_insoluble ) THEN
2128	ss = ( ispec - 1 ) * nbins_aerosol + start_subrange_2b
2129	ee = ( ispec - 1 ) * nbins_aerosol + end_subrange_2b
2130	ib = start_subrange_2a
2131	DO ic = ss, ee
2132	aerosol_mass(ic)%conc(k,j,i) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) *&
2133	pndist(k,ib) * pcore(ib) * prho * flag
2134	IF ( prunmode == 1 ) THEN
2135	aerosol_mass(ic)%init(k) = MAX( 0.0_wp, pmf2b(k) ) * ( 1.0_wp - pnf2a(k) ) * &
2136	pndist(k,ib) * pcore(ib) * prho
2137	ENDIF
2138	ib = ib + 1
2139	ENDDO ! c
2140
2141	ENDIF
2142	ENDDO ! k
2143
2144	prunmode = 3 ! Init only once
2145
2146	ENDDO ! j
2147	ENDDO ! i
2148
2149	END SUBROUTINE set_aero_mass
2150
2151	!------------------------------------------------------------------------------!
2152	! Description:
2153	! ------------
2154	!> Initialise the matching between surface types in LSM and deposition models.
2155	!> Do the matching based on Zhang et al. (2001). Atmos. Environ. 35, 549-560
2156	!> (here referred as Z01).
2157	!------------------------------------------------------------------------------!
2158	SUBROUTINE init_deposition
2159
2160	USE surface_mod, &
2161	ONLY: surf_lsm_h, surf_lsm_v
2162
2163	IMPLICIT NONE
2164
2165	INTEGER(iwp) :: l !< loop index for vertical surfaces
2166
2167	IF ( nldepo_surf .AND. land_surface ) THEN
2168
2169	ALLOCATE( lsm_to_depo_h%match(1:surf_lsm_h%ns) )
2170	lsm_to_depo_h%match = 0
2171	CALL match_lsm_zhang( surf_lsm_h, lsm_to_depo_h%match )
2172
2173	DO l = 0, 3
2174	ALLOCATE( lsm_to_depo_v(l)%match(1:surf_lsm_v(l)%ns) )
2175	lsm_to_depo_v(l)%match = 0
2176	CALL match_lsm_zhang( surf_lsm_v(l), lsm_to_depo_v(l)%match )
2177	ENDDO
2178	ENDIF
2179
2180	IF ( nldepo_pcm ) THEN
2181	SELECT CASE ( depo_pcm_type )
2182	CASE ( 'evergreen_needleleaf' )
2183	depo_pcm_type_num = 1
2184	CASE ( 'evergreen_broadleaf' )
2185	depo_pcm_type_num = 2
2186	CASE ( 'deciduous_needleleaf' )
2187	depo_pcm_type_num = 3
2188	CASE ( 'deciduous_broadleaf' )
2189	depo_pcm_type_num = 4
2190	CASE DEFAULT
2191	message_string = 'depo_pcm_type not set correctly.'
2192	CALL message( 'salsa_mod: init_deposition', 'PA0613', 1, 2, 0, 6, 0 )
2193	END SELECT
2194	ENDIF
2195
2196	END SUBROUTINE init_deposition
2197
2198	!------------------------------------------------------------------------------!
2199	! Description:
2200	! ------------
2201	!> Match the surface types in PALM and Zhang et al. 2001 deposition module
2202	!------------------------------------------------------------------------------!
2203	SUBROUTINE match_lsm_zhang( surf, match_array )
2204
2205	USE surface_mod, &
2206	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_type
2207
2208	IMPLICIT NONE
2209
2210	INTEGER(iwp) :: m !< index for surface elements
2211	INTEGER(iwp) :: pav_type_palm !< pavement type in PALM
2212	INTEGER(iwp) :: vege_type_palm !< vegetation type in PALM
2213	INTEGER(iwp) :: water_type_palm !< water type in PALM
2214
2215	INTEGER(iwp), DIMENSION(:), INTENT(inout) :: match_array !< array matching
2216	!< the surface types
2217	TYPE(surf_type), INTENT(in) :: surf !< respective surface type
2218
2219	DO m = 1, surf%ns
2220
2221	IF ( surf%frac(ind_veg_wall,m) > 0 ) THEN
2222	vege_type_palm = surf%vegetation_type(m)
2223	SELECT CASE ( vege_type_palm )
2224	CASE ( 0 )
2225	message_string = 'No vegetation type defined.'
2226	CALL message( 'salsa_mod: init_depo_surfaces', 'PA0614', 1, 2, 0, 6, 0 )
2227	CASE ( 1 ) ! bare soil
2228	match_array(m) = 6 ! grass in Z01
2229	CASE ( 2 ) ! crops, mixed farming
2230	match_array(m) = 7 ! crops, mixed farming Z01
2231	CASE ( 3 ) ! short grass
2232	match_array(m) = 6 ! grass in Z01
2233	CASE ( 4 ) ! evergreen needleleaf trees
2234	match_array(m) = 1 ! evergreen needleleaf trees in Z01
2235	CASE ( 5 ) ! deciduous needleleaf trees
2236	match_array(m) = 3 ! deciduous needleleaf trees in Z01
2237	CASE ( 6 ) ! evergreen broadleaf trees
2238	match_array(m) = 2 ! evergreen broadleaf trees in Z01
2239	CASE ( 7 ) ! deciduous broadleaf trees
2240	match_array(m) = 4 ! deciduous broadleaf trees in Z01
2241	CASE ( 8 ) ! tall grass
2242	match_array(m) = 6 ! grass in Z01
2243	CASE ( 9 ) ! desert
2244	match_array(m) = 8 ! desert in Z01
2245	CASE ( 10 ) ! tundra
2246	match_array(m) = 9 ! tundra in Z01
2247	CASE ( 11 ) ! irrigated crops
2248	match_array(m) = 7 ! crops, mixed farming Z01
2249	CASE ( 12 ) ! semidesert
2250	match_array(m) = 8 ! desert in Z01
2251	CASE ( 13 ) ! ice caps and glaciers
2252	match_array(m) = 12 ! ice cap and glacier in Z01
2253	CASE ( 14 ) ! bogs and marshes
2254	match_array(m) = 11 ! wetland with plants in Z01
2255	CASE ( 15 ) ! evergreen shrubs
2256	match_array(m) = 10 ! shrubs and interrupted woodlands in Z01
2257	CASE ( 16 ) ! deciduous shrubs
2258	match_array(m) = 10 ! shrubs and interrupted woodlands in Z01
2259	CASE ( 17 ) ! mixed forest/woodland
2260	match_array(m) = 5 ! mixed broadleaf and needleleaf trees in Z01
2261	CASE ( 18 ) ! interrupted forest
2262	match_array(m) = 10 ! shrubs and interrupted woodlands in Z01
2263	END SELECT
2264	ENDIF
2265
2266	IF ( surf%frac(ind_pav_green,m) > 0 ) THEN
2267	pav_type_palm = surf%pavement_type(m)
2268	IF ( pav_type_palm == 0 ) THEN ! error
2269	message_string = 'No pavement type defined.'
2270	CALL message( 'salsa_mod: match_lsm_zhang', 'PA0615', 1, 2, 0, 6, 0 )
2271	ELSEIF ( pav_type_palm > 0 .AND. pav_type_palm <= 15 ) THEN
2272	match_array(m) = 15 ! urban in Z01
2273	ENDIF
2274	ENDIF
2275
2276	IF ( surf%frac(ind_wat_win,m) > 0 ) THEN
2277	water_type_palm = surf%water_type(m)
2278	IF ( water_type_palm == 0 ) THEN ! error
2279	message_string = 'No water type defined.'
2280	CALL message( 'salsa_mod: match_lsm_zhang', 'PA0616', 1, 2, 0, 6, 0 )
2281	ELSEIF ( water_type_palm == 3 ) THEN
2282	match_array(m) = 14 ! ocean in Z01
2283	ELSEIF ( water_type_palm == 1 .OR. water_type_palm == 2 .OR. water_type_palm == 4 &
2284	.OR. water_type_palm == 5 ) THEN
2285	match_array(m) = 13 ! inland water in Z01
2286	ENDIF
2287	ENDIF
2288
2289	ENDDO
2290
2291	END SUBROUTINE match_lsm_zhang
2292
2293	!------------------------------------------------------------------------------!
2294	! Description:
2295	! ------------
2296	!> Swapping of timelevels
2297	!------------------------------------------------------------------------------!
2298	SUBROUTINE salsa_swap_timelevel( mod_count )
2299
2300	IMPLICIT NONE
2301
2302	INTEGER(iwp) :: ib !<
2303	INTEGER(iwp) :: ic !<
2304	INTEGER(iwp) :: icc !<
2305	INTEGER(iwp) :: ig !<
2306
2307	INTEGER(iwp), INTENT(IN) :: mod_count !<
2308
2309	IF ( time_since_reference_point >= skip_time_do_salsa ) THEN
2310
2311	SELECT CASE ( mod_count )
2312
2313	CASE ( 0 )
2314
2315	DO ib = 1, nbins_aerosol
2316	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2317	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2318
2319	DO ic = 1, ncomponents_mass
2320	icc = ( ic-1 ) * nbins_aerosol + ib
2321	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2322	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2323	ENDDO
2324	ENDDO
2325
2326	IF ( .NOT. salsa_gases_from_chem ) THEN
2327	DO ig = 1, ngases_salsa
2328	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2329	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2330	ENDDO
2331	ENDIF
2332
2333	CASE ( 1 )
2334
2335	DO ib = 1, nbins_aerosol
2336	aerosol_number(ib)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_2(:,:,:,ib)
2337	aerosol_number(ib)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => nconc_1(:,:,:,ib)
2338	DO ic = 1, ncomponents_mass
2339	icc = ( ic-1 ) * nbins_aerosol + ib
2340	aerosol_mass(icc)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_2(:,:,:,icc)
2341	aerosol_mass(icc)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => mconc_1(:,:,:,icc)
2342	ENDDO
2343	ENDDO
2344
2345	IF ( .NOT. salsa_gases_from_chem ) THEN
2346	DO ig = 1, ngases_salsa
2347	salsa_gas(ig)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_2(:,:,:,ig)
2348	salsa_gas(ig)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => gconc_1(:,:,:,ig)
2349	ENDDO
2350	ENDIF
2351
2352	END SELECT
2353
2354	ENDIF
2355
2356	END SUBROUTINE salsa_swap_timelevel
2357
2358
2359	!------------------------------------------------------------------------------!
2360	! Description:
2361	! ------------
2362	!> This routine reads the respective restart data.
2363	!------------------------------------------------------------------------------!
2364	SUBROUTINE salsa_rrd_local( k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, nxr_on_file, nynf, nync, &
2365	nyn_on_file, nysf, nysc, nys_on_file, tmp_3d, found )
2366
2367	IMPLICIT NONE
2368
2369	INTEGER(iwp) :: ib !<
2370	INTEGER(iwp) :: ic !<
2371	INTEGER(iwp) :: ig !<
2372	INTEGER(iwp) :: k !<
2373	INTEGER(iwp) :: nxlc !<
2374	INTEGER(iwp) :: nxlf !<
2375	INTEGER(iwp) :: nxl_on_file !<
2376	INTEGER(iwp) :: nxrc !<
2377	INTEGER(iwp) :: nxrf !<
2378	INTEGER(iwp) :: nxr_on_file !<
2379	INTEGER(iwp) :: nync !<
2380	INTEGER(iwp) :: nynf !<
2381	INTEGER(iwp) :: nyn_on_file !<
2382	INTEGER(iwp) :: nysc !<
2383	INTEGER(iwp) :: nysf !<
2384	INTEGER(iwp) :: nys_on_file !<
2385
2386	LOGICAL, INTENT(OUT) :: found !<
2387
2388	REAL(wp), &
2389	DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !<
2390
2391	found = .FALSE.
2392
2393	IF ( read_restart_data_salsa ) THEN
2394
2395	SELECT CASE ( restart_string(1:length) )
2396
2397	CASE ( 'aerosol_number' )
2398	DO ib = 1, nbins_aerosol
2399	IF ( k == 1 ) READ ( 13 ) tmp_3d
2400	aerosol_number(ib)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2401	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2402	found = .TRUE.
2403	ENDDO
2404
2405	CASE ( 'aerosol_mass' )
2406	DO ic = 1, ncomponents_mass * nbins_aerosol
2407	IF ( k == 1 ) READ ( 13 ) tmp_3d
2408	aerosol_mass(ic)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2409	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2410	found = .TRUE.
2411	ENDDO
2412
2413	CASE ( 'salsa_gas' )
2414	DO ig = 1, ngases_salsa
2415	IF ( k == 1 ) READ ( 13 ) tmp_3d
2416	salsa_gas(ig)%conc(:,nysc-nbgp:nync+nbgp,nxlc-nbgp:nxrc+nbgp) = &
2417	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2418	found = .TRUE.
2419	ENDDO
2420
2421	CASE DEFAULT
2422	found = .FALSE.
2423
2424	END SELECT
2425	ENDIF
2426
2427	END SUBROUTINE salsa_rrd_local
2428
2429	!------------------------------------------------------------------------------!
2430	! Description:
2431	! ------------
2432	!> This routine writes the respective restart data.
2433	!> Note that the following input variables in PARIN have to be equal between
2434	!> restart runs:
2435	!> listspec, nbin, nbin2, nf2a, ncc, mass_fracs_a, mass_fracs_b
2436	!------------------------------------------------------------------------------!
2437	SUBROUTINE salsa_wrd_local
2438
2439	IMPLICIT NONE
2440
2441	INTEGER(iwp) :: ib !<
2442	INTEGER(iwp) :: ic !<
2443	INTEGER(iwp) :: ig !<
2444
2445	IF ( write_binary .AND. write_binary_salsa ) THEN
2446
2447	CALL wrd_write_string( 'aerosol_number' )
2448	DO ib = 1, nbins_aerosol
2449	WRITE ( 14 ) aerosol_number(ib)%conc
2450	ENDDO
2451
2452	CALL wrd_write_string( 'aerosol_mass' )
2453	DO ic = 1, nbins_aerosol * ncomponents_mass
2454	WRITE ( 14 ) aerosol_mass(ic)%conc
2455	ENDDO
2456
2457	CALL wrd_write_string( 'salsa_gas' )
2458	DO ig = 1, ngases_salsa
2459	WRITE ( 14 ) salsa_gas(ig)%conc
2460	ENDDO
2461
2462	ENDIF
2463
2464	END SUBROUTINE salsa_wrd_local
2465
2466	!------------------------------------------------------------------------------!
2467	! Description:
2468	! ------------
2469	!> Performs necessary unit and dimension conversion between the host model and
2470	!> SALSA module, and calls the main SALSA routine.
2471	!> Partially adobted form the original SALSA boxmodel version.
2472	!> Now takes masses in as kg/kg from LES!! Converted to m3/m3 for SALSA
2473	!> 05/2016 Juha: This routine is still pretty much in its original shape.
2474	!> It's dumb as a mule and twice as ugly, so implementation of
2475	!> an improved solution is necessary sooner or later.
2476	!> Juha Tonttila, FMI, 2014
2477	!> Jaakko Ahola, FMI, 2016
2478	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2479	!------------------------------------------------------------------------------!
2480	SUBROUTINE salsa_driver( i, j, prunmode )
2481
2482	USE arrays_3d, &
2483	ONLY: pt_p, q_p, u, v, w
2484
2485	USE plant_canopy_model_mod, &
2486	ONLY: lad_s
2487
2488	USE surface_mod, &
2489	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2490
2491	IMPLICIT NONE
2492
2493	INTEGER(iwp) :: endi !< end index
2494	INTEGER(iwp) :: ib !< loop index
2495	INTEGER(iwp) :: ic !< loop index
2496	INTEGER(iwp) :: ig !< loop index
2497	INTEGER(iwp) :: k_wall !< vertical index of topography top
2498	INTEGER(iwp) :: k !< loop index
2499	INTEGER(iwp) :: l !< loop index
2500	INTEGER(iwp) :: nc_h2o !< index of H2O in the prtcl index table
2501	INTEGER(iwp) :: ss !< loop index
2502	INTEGER(iwp) :: str !< start index
2503	INTEGER(iwp) :: vc !< default index in prtcl
2504
2505	INTEGER(iwp), INTENT(in) :: i !< loop index
2506	INTEGER(iwp), INTENT(in) :: j !< loop index
2507	INTEGER(iwp), INTENT(in) :: prunmode !< 1: Initialization, 2: Spinup, 3: Regular runtime
2508
2509	REAL(wp) :: cw_old !< previous H2O mixing ratio
2510	REAL(wp) :: flag !< flag to mask topography grid points
2511	REAL(wp) :: in_lad !< leaf area density (m2/m3)
2512	REAL(wp) :: in_rh !< relative humidity
2513	REAL(wp) :: zgso4 !< SO4
2514	REAL(wp) :: zghno3 !< HNO3
2515	REAL(wp) :: zgnh3 !< NH3
2516	REAL(wp) :: zgocnv !< non-volatile OC
2517	REAL(wp) :: zgocsv !< semi-volatile OC
2518
2519	REAL(wp), DIMENSION(nzb:nzt+1) :: in_adn !< air density (kg/m3)
2520	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cs !< H2O sat. vapour conc.
2521	REAL(wp), DIMENSION(nzb:nzt+1) :: in_cw !< H2O vapour concentration
2522	REAL(wp), DIMENSION(nzb:nzt+1) :: in_p !< pressure (Pa)
2523	REAL(wp), DIMENSION(nzb:nzt+1) :: in_t !< temperature (K)
2524	REAL(wp), DIMENSION(nzb:nzt+1) :: in_u !< wind magnitude (m/s)
2525	REAL(wp), DIMENSION(nzb:nzt+1) :: kvis !< kinematic viscosity of air(m2/s)
2526	REAL(wp), DIMENSION(nzb:nzt+1) :: ppm_to_nconc !< Conversion factor from ppm to #/m3
2527
2528	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: schmidt_num !< particle Schmidt number
2529	REAL(wp), DIMENSION(nzb:nzt+1,nbins_aerosol) :: vd !< particle fall seed (m/s)
2530
2531	TYPE(t_section), DIMENSION(nbins_aerosol) :: lo_aero !< additional variable for OpenMP
2532	TYPE(t_section), DIMENSION(nbins_aerosol) :: aero_old !< helper array
2533
2534	aero_old(:)%numc = 0.0_wp
2535	in_lad = 0.0_wp
2536	in_u = 0.0_wp
2537	kvis = 0.0_wp
2538	lo_aero = aero
2539	schmidt_num = 0.0_wp
2540	vd = 0.0_wp
2541	zgso4 = nclim
2542	zghno3 = nclim
2543	zgnh3 = nclim
2544	zgocnv = nclim
2545	zgocsv = nclim
2546	!
2547	!-- Aerosol number is always set, but mass can be uninitialized
2548	DO ib = 1, nbins_aerosol
2549	lo_aero(ib)%volc(:) = 0.0_wp
2550	aero_old(ib)%volc(:) = 0.0_wp
2551	ENDDO
2552	!
2553	!-- Set the salsa runtime config (How to make this more efficient?)
2554	CALL set_salsa_runtime( prunmode )
2555	!
2556	!-- Calculate thermodynamic quantities needed in SALSA
2557	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 )
2558	!
2559	!-- Magnitude of wind: needed for deposition
2560	IF ( lsdepo ) THEN
2561	in_u(nzb+1:nzt) = SQRT( ( 0.5_wp * ( u(nzb+1:nzt,j,i) + u(nzb+1:nzt,j,i+1) ) )**2 + &
2562	( 0.5_wp * ( v(nzb+1:nzt,j,i) + v(nzb+1:nzt,j+1,i) ) )**2 + &
2563	( 0.5_wp * ( w(nzb:nzt-1,j,i) + w(nzb+1:nzt,j, i) ) )**2 )
2564	ENDIF
2565	!
2566	!-- Calculate conversion factors for gas concentrations
2567	ppm_to_nconc(:) = for_ppm_to_nconc * in_p(:) / in_t(:)
2568	!
2569	!-- Determine topography-top index on scalar grid
2570	k_wall = k_topo_top(j,i)
2571
2572	DO k = nzb+1, nzt
2573	!
2574	!-- Predetermine flag to mask topography
2575	flag = MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2576	!
2577	!-- Wind velocity for dry depositon on vegetation
2578	IF ( lsdepo_pcm .AND. plant_canopy ) THEN
2579	in_lad = lad_s( MAX( k-k_wall,0 ),j,i)
2580	ENDIF
2581	!
2582	!-- For initialization and spinup, limit the RH with the parameter rhlim
2583	IF ( prunmode < 3 ) THEN
2584	in_cw(k) = MIN( in_cw(k), in_cs(k) * rhlim )
2585	ELSE
2586	in_cw(k) = in_cw(k)
2587	ENDIF
2588	cw_old = in_cw(k) !* in_adn(k)
2589	!
2590	!-- Set volume concentrations:
2591	!-- Sulphate (SO4) or sulphuric acid H2SO4
2592	IF ( index_so4 > 0 ) THEN
2593	vc = 1
2594	str = ( index_so4-1 ) * nbins_aerosol + 1 ! start index
2595	endi = index_so4 * nbins_aerosol ! end index
2596	ic = 1
2597	DO ss = str, endi
2598	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2so4
2599	ic = ic+1
2600	ENDDO
2601	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2602	ENDIF
2603	!
2604	!-- Organic carbon (OC) compounds
2605	IF ( index_oc > 0 ) THEN
2606	vc = 2
2607	str = ( index_oc-1 ) * nbins_aerosol + 1
2608	endi = index_oc * nbins_aerosol
2609	ic = 1
2610	DO ss = str, endi
2611	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhooc
2612	ic = ic+1
2613	ENDDO
2614	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2615	ENDIF
2616	!
2617	!-- Black carbon (BC)
2618	IF ( index_bc > 0 ) THEN
2619	vc = 3
2620	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
2621	endi = index_bc * nbins_aerosol
2622	ic = 1 + end_subrange_1a
2623	DO ss = str, endi
2624	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhobc
2625	ic = ic+1
2626	ENDDO
2627	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2628	ENDIF
2629	!
2630	!-- Dust (DU)
2631	IF ( index_du > 0 ) THEN
2632	vc = 4
2633	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
2634	endi = index_du * nbins_aerosol
2635	ic = 1 + end_subrange_1a
2636	DO ss = str, endi
2637	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhodu
2638	ic = ic+1
2639	ENDDO
2640	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2641	ENDIF
2642	!
2643	!-- Sea salt (SS)
2644	IF ( index_ss > 0 ) THEN
2645	vc = 5
2646	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
2647	endi = index_ss * nbins_aerosol
2648	ic = 1 + end_subrange_1a
2649	DO ss = str, endi
2650	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoss
2651	ic = ic+1
2652	ENDDO
2653	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2654	ENDIF
2655	!
2656	!-- Nitrate (NO(3-)) or nitric acid HNO3
2657	IF ( index_no > 0 ) THEN
2658	vc = 6
2659	str = ( index_no-1 ) * nbins_aerosol + 1
2660	endi = index_no * nbins_aerosol
2661	ic = 1
2662	DO ss = str, endi
2663	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhohno3
2664	ic = ic+1
2665	ENDDO
2666	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2667	ENDIF
2668	!
2669	!-- Ammonium (NH(4+)) or ammonia NH3
2670	IF ( index_nh > 0 ) THEN
2671	vc = 7
2672	str = ( index_nh-1 ) * nbins_aerosol + 1
2673	endi = index_nh * nbins_aerosol
2674	ic = 1
2675	DO ss = str, endi
2676	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhonh3
2677	ic = ic+1
2678	ENDDO
2679	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2680	ENDIF
2681	!
2682	!-- Water (always used)
2683	nc_h2o = get_index( prtcl,'H2O' )
2684	vc = 8
2685	str = ( nc_h2o-1 ) * nbins_aerosol + 1
2686	endi = nc_h2o * nbins_aerosol
2687	ic = 1
2688	IF ( advect_particle_water ) THEN
2689	DO ss = str, endi
2690	lo_aero(ic)%volc(vc) = aerosol_mass(ss)%conc(k,j,i) / arhoh2o
2691	ic = ic+1
2692	ENDDO
2693	ELSE
2694	lo_aero(1:nbins_aerosol)%volc(vc) = mclim
2695	ENDIF
2696	aero_old(1:nbins_aerosol)%volc(vc) = lo_aero(1:nbins_aerosol)%volc(vc)
2697	!
2698	!-- Number concentrations (numc) and particle sizes
2699	!-- (dwet = wet diameter, core = dry volume)
2700	DO ib = 1, nbins_aerosol
2701	lo_aero(ib)%numc = aerosol_number(ib)%conc(k,j,i)
2702	aero_old(ib)%numc = lo_aero(ib)%numc
2703	IF ( lo_aero(ib)%numc > nclim ) THEN
2704	lo_aero(ib)%dwet = ( SUM( lo_aero(ib)%volc(:) ) / lo_aero(ib)%numc / api6 )**0.33333333_wp
2705	lo_aero(ib)%core = SUM( lo_aero(ib)%volc(1:7) ) / lo_aero(ib)%numc
2706	ELSE
2707	lo_aero(ib)%dwet = lo_aero(ib)%dmid
2708	lo_aero(ib)%core = api6 * ( lo_aero(ib)%dwet )**3
2709	ENDIF
2710	ENDDO
2711	!
2712	!-- On EACH call of salsa_driver, calculate the ambient sizes of
2713	!-- particles by equilibrating soluble fraction of particles with water
2714	!-- using the ZSR method.
2715	in_rh = in_cw(k) / in_cs(k)
2716	IF ( prunmode==1 .OR. .NOT. advect_particle_water ) THEN
2717	CALL equilibration( in_rh, in_t(k), lo_aero, .TRUE. )
2718	ENDIF
2719	!
2720	!-- Gaseous tracer concentrations in #/m3
2721	IF ( salsa_gases_from_chem ) THEN
2722	!
2723	!-- Convert concentrations in ppm to #/m3
2724	zgso4 = chem_species(gas_index_chem(1))%conc(k,j,i) * ppm_to_nconc(k)
2725	zghno3 = chem_species(gas_index_chem(2))%conc(k,j,i) * ppm_to_nconc(k)
2726	zgnh3 = chem_species(gas_index_chem(3))%conc(k,j,i) * ppm_to_nconc(k)
2727	zgocnv = chem_species(gas_index_chem(4))%conc(k,j,i) * ppm_to_nconc(k)
2728	zgocsv = chem_species(gas_index_chem(5))%conc(k,j,i) * ppm_to_nconc(k)
2729	ELSE
2730	zgso4 = salsa_gas(1)%conc(k,j,i)
2731	zghno3 = salsa_gas(2)%conc(k,j,i)
2732	zgnh3 = salsa_gas(3)%conc(k,j,i)
2733	zgocnv = salsa_gas(4)%conc(k,j,i)
2734	zgocsv = salsa_gas(5)%conc(k,j,i)
2735	ENDIF
2736	!
2737	!-- Calculate aerosol processes:
2738	!-- *********************************************************************************************
2739	!
2740	!-- Coagulation
2741	IF ( lscoag ) THEN
2742	CALL coagulation( lo_aero, dt_salsa, in_t(k), in_p(k) )
2743	ENDIF
2744	!
2745	!-- Condensation
2746	IF ( lscnd ) THEN
2747	CALL condensation( lo_aero, zgso4, zgocnv, zgocsv, zghno3, zgnh3, in_cw(k), in_cs(k), &
2748	in_t(k), in_p(k), dt_salsa, prtcl )
2749	ENDIF
2750	!
2751	!-- Deposition
2752	IF ( lsdepo ) THEN
2753	CALL deposition( lo_aero, in_t(k), in_adn(k), in_u(k), in_lad, kvis(k), schmidt_num(k,:), &
2754	vd(k,:) )
2755	ENDIF
2756	!
2757	!-- Size distribution bin update
2758	IF ( lsdistupdate ) THEN
2759	CALL distr_update( lo_aero )
2760	ENDIF
2761	!-- *********************************************************************************************
2762
2763	IF ( lsdepo ) sedim_vd(k,j,i,:) = vd(k,:)
2764	!
2765	!-- Calculate changes in concentrations
2766	DO ib = 1, nbins_aerosol
2767	aerosol_number(ib)%conc(k,j,i) = aerosol_number(ib)%conc(k,j,i) + ( lo_aero(ib)%numc - &
2768	aero_old(ib)%numc ) * flag
2769	ENDDO
2770
2771	IF ( index_so4 > 0 ) THEN
2772	vc = 1
2773	str = ( index_so4-1 ) * nbins_aerosol + 1
2774	endi = index_so4 * nbins_aerosol
2775	ic = 1
2776	DO ss = str, endi
2777	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2778	aero_old(ic)%volc(vc) ) * arhoh2so4 * flag
2779	ic = ic+1
2780	ENDDO
2781	ENDIF
2782
2783	IF ( index_oc > 0 ) THEN
2784	vc = 2
2785	str = ( index_oc-1 ) * nbins_aerosol + 1
2786	endi = index_oc * nbins_aerosol
2787	ic = 1
2788	DO ss = str, endi
2789	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2790	aero_old(ic)%volc(vc) ) * arhooc * flag
2791	ic = ic+1
2792	ENDDO
2793	ENDIF
2794
2795	IF ( index_bc > 0 ) THEN
2796	vc = 3
2797	str = ( index_bc-1 ) * nbins_aerosol + 1 + end_subrange_1a
2798	endi = index_bc * 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) + ( lo_aero(ic)%volc(vc) - &
2802	aero_old(ic)%volc(vc) ) * arhobc * flag
2803	ic = ic+1
2804	ENDDO
2805	ENDIF
2806
2807	IF ( index_du > 0 ) THEN
2808	vc = 4
2809	str = ( index_du-1 ) * nbins_aerosol + 1 + end_subrange_1a
2810	endi = index_du * nbins_aerosol
2811	ic = 1 + end_subrange_1a
2812	DO ss = str, endi
2813	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2814	aero_old(ic)%volc(vc) ) * arhodu * flag
2815	ic = ic+1
2816	ENDDO
2817	ENDIF
2818
2819	IF ( index_ss > 0 ) THEN
2820	vc = 5
2821	str = ( index_ss-1 ) * nbins_aerosol + 1 + end_subrange_1a
2822	endi = index_ss * nbins_aerosol
2823	ic = 1 + end_subrange_1a
2824	DO ss = str, endi
2825	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2826	aero_old(ic)%volc(vc) ) * arhoss * flag
2827	ic = ic+1
2828	ENDDO
2829	ENDIF
2830
2831	IF ( index_no > 0 ) THEN
2832	vc = 6
2833	str = ( index_no-1 ) * nbins_aerosol + 1
2834	endi = index_no * nbins_aerosol
2835	ic = 1
2836	DO ss = str, endi
2837	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2838	aero_old(ic)%volc(vc) ) * arhohno3 * flag
2839	ic = ic+1
2840	ENDDO
2841	ENDIF
2842
2843	IF ( index_nh > 0 ) THEN
2844	vc = 7
2845	str = ( index_nh-1 ) * nbins_aerosol + 1
2846	endi = index_nh * nbins_aerosol
2847	ic = 1
2848	DO ss = str, endi
2849	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2850	aero_old(ic)%volc(vc) ) * arhonh3 * flag
2851	ic = ic+1
2852	ENDDO
2853	ENDIF
2854
2855	IF ( advect_particle_water ) THEN
2856	nc_h2o = get_index( prtcl,'H2O' )
2857	vc = 8
2858	str = ( nc_h2o-1 ) * nbins_aerosol + 1
2859	endi = nc_h2o * nbins_aerosol
2860	ic = 1
2861	DO ss = str, endi
2862	aerosol_mass(ss)%conc(k,j,i) = aerosol_mass(ss)%conc(k,j,i) + ( lo_aero(ic)%volc(vc) - &
2863	aero_old(ic)%volc(vc) ) * arhoh2o * flag
2864	IF ( prunmode == 1 ) THEN
2865	aerosol_mass(ss)%init(k) = MAX( aerosol_mass(ss)%init(k), &
2866	aerosol_mass(ss)%conc(k,j,i) )
2867	IF ( k == nzb+1 ) THEN
2868	aerosol_mass(ss)%init(k-1) = 0.0_wp
2869	ELSEIF ( k == nzt ) THEN
2870	aerosol_mass(ss)%init(k+1) = aerosol_mass(ss)%init(k)
2871	ENDIF
2872	ENDIF
2873	ic = ic+1
2874	ENDDO
2875	ENDIF
2876	!
2877	!-- Condensation of precursor gases
2878	IF ( lscndgas ) THEN
2879	IF ( salsa_gases_from_chem ) THEN
2880	!
2881	!-- SO4 (or H2SO4)
2882	ig = gas_index_chem(1)
2883	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgso4 / &
2884	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2885	!
2886	!-- HNO3
2887	ig = gas_index_chem(2)
2888	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zghno3 / &
2889	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2890	!
2891	!-- NH3
2892	ig = gas_index_chem(3)
2893	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgnh3 / &
2894	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2895	!
2896	!-- non-volatile OC
2897	ig = gas_index_chem(4)
2898	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocnv / &
2899	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2900	!
2901	!-- semi-volatile OC
2902	ig = gas_index_chem(5)
2903	chem_species(ig)%conc(k,j,i) = chem_species(ig)%conc(k,j,i) + ( zgocsv / &
2904	ppm_to_nconc(k) - chem_species(ig)%conc(k,j,i) ) * flag
2905
2906	ELSE
2907	!
2908	!-- SO4 (or H2SO4)
2909	salsa_gas(1)%conc(k,j,i) = salsa_gas(1)%conc(k,j,i) + ( zgso4 - &
2910	salsa_gas(1)%conc(k,j,i) ) * flag
2911	!
2912	!-- HNO3
2913	salsa_gas(2)%conc(k,j,i) = salsa_gas(2)%conc(k,j,i) + ( zghno3 - &
2914	salsa_gas(2)%conc(k,j,i) ) * flag
2915	!
2916	!-- NH3
2917	salsa_gas(3)%conc(k,j,i) = salsa_gas(3)%conc(k,j,i) + ( zgnh3 - &
2918	salsa_gas(3)%conc(k,j,i) ) * flag
2919	!
2920	!-- non-volatile OC
2921	salsa_gas(4)%conc(k,j,i) = salsa_gas(4)%conc(k,j,i) + ( zgocnv - &
2922	salsa_gas(4)%conc(k,j,i) ) * flag
2923	!
2924	!-- semi-volatile OC
2925	salsa_gas(5)%conc(k,j,i) = salsa_gas(5)%conc(k,j,i) + ( zgocsv - &
2926	salsa_gas(5)%conc(k,j,i) ) * flag
2927	ENDIF
2928	ENDIF
2929	!
2930	!-- Tendency of water vapour mixing ratio is obtained from the
2931	!-- change in RH during SALSA run. This releases heat and changes pt.
2932	!-- Assumes no temperature change during SALSA run.
2933	!-- q = r / (1+r), Euler method for integration
2934	!
2935	IF ( feedback_to_palm ) THEN
2936	q_p(k,j,i) = q_p(k,j,i) + 1.0_wp / ( in_cw(k) * in_adn(k) + 1.0_wp )*2 &
2937	( in_cw(k) - cw_old ) * in_adn(k) * flag
2938	pt_p(k,j,i) = pt_p(k,j,i) + alv / c_p * ( in_cw(k) - cw_old ) * in_adn(k) / ( in_cw(k) / &
2939	in_adn(k) + 1.0_wp )*2 pt_p(k,j,i) / in_t(k) * flag
2940	ENDIF
2941
2942	ENDDO ! k
2943
2944	!
2945	!-- Set surfaces and wall fluxes due to deposition
2946	IF ( lsdepo .AND. lsdepo_surf .AND. prunmode == 3 ) THEN
2947	IF ( .NOT. land_surface .AND. .NOT. urban_surface ) THEN
2948	CALL depo_surf( i, j, surf_def_h(0), vd, schmidt_num, kvis, in_u, .TRUE. )
2949	DO l = 0, 3
2950	CALL depo_surf( i, j, surf_def_v(l), vd, schmidt_num, kvis, in_u, .FALSE., l )
2951	ENDDO
2952	ELSE
2953	CALL depo_surf( i, j, surf_usm_h, vd, schmidt_num, kvis, in_u, .TRUE. )
2954	DO l = 0, 3
2955	CALL depo_surf( i, j, surf_usm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., l )
2956	ENDDO
2957	CALL depo_surf( i, j, surf_lsm_h, vd, schmidt_num, kvis, in_u, .TRUE. )
2958	DO l = 0, 3
2959	CALL depo_surf( i, j, surf_lsm_v(l), vd, schmidt_num, kvis, in_u, .FALSE., l )
2960	ENDDO
2961	ENDIF
2962	ENDIF
2963
2964	IF ( prunmode < 3 ) THEN
2965	!$OMP MASTER
2966	aero = lo_aero
2967	!$OMP END MASTER
2968	END IF
2969
2970	END SUBROUTINE salsa_driver
2971
2972	!------------------------------------------------------------------------------!
2973	! Description:
2974	! ------------
2975	!> Set logical switches according to the host model state and user-specified
2976	!> NAMELIST options.
2977	!> Juha Tonttila, FMI, 2014
2978	!> Only aerosol processes included, Mona Kurppa, UHel, 2017
2979	!------------------------------------------------------------------------------!
2980	SUBROUTINE set_salsa_runtime( prunmode )
2981
2982	IMPLICIT NONE
2983
2984	INTEGER(iwp), INTENT(in) :: prunmode
2985
2986	SELECT CASE(prunmode)
2987
2988	CASE(1) !< Initialization
2989	lscoag = .FALSE.
2990	lscnd = .FALSE.
2991	lscndgas = .FALSE.
2992	lscndh2oae = .FALSE.
2993	lsdepo = .FALSE.
2994	lsdepo_pcm = .FALSE.
2995	lsdepo_surf = .FALSE.
2996	lsdistupdate = .TRUE.
2997	lspartition = .FALSE.
2998
2999	CASE(2) !< Spinup period
3000	lscoag = ( .FALSE. .AND. nlcoag )
3001	lscnd = ( .TRUE. .AND. nlcnd )
3002	lscndgas = ( .TRUE. .AND. nlcndgas )
3003	lscndh2oae = ( .TRUE. .AND. nlcndh2oae )
3004
3005	CASE(3) !< Run
3006	lscoag = nlcoag
3007	lscnd = nlcnd
3008	lscndgas = nlcndgas
3009	lscndh2oae = nlcndh2oae
3010	lsdepo = nldepo
3011	lsdepo_pcm = nldepo_pcm
3012	lsdepo_surf = nldepo_surf
3013	lsdistupdate = nldistupdate
3014	END SELECT
3015
3016
3017	END SUBROUTINE set_salsa_runtime
3018
3019	!------------------------------------------------------------------------------!
3020	! Description:
3021	! ------------
3022	!> Calculates the absolute temperature (using hydrostatic pressure), saturation
3023	!> vapour pressure and mixing ratio over water, relative humidity and air
3024	!> density needed in the SALSA model.
3025	!> NOTE, no saturation adjustment takes place -> the resulting water vapour
3026	!> mixing ratio can be supersaturated, allowing the microphysical calculations
3027	!> in SALSA.
3028	!
3029	!> Juha Tonttila, FMI, 2014 (original SALSAthrm)
3030	!> Mona Kurppa, UHel, 2017 (adjustment for PALM and only aerosol processes)
3031	!------------------------------------------------------------------------------!
3032	SUBROUTINE salsa_thrm_ij( i, j, p_ij, temp_ij, cw_ij, cs_ij, adn_ij )
3033
3034	USE arrays_3d, &
3035	ONLY: pt, q, zu
3036
3037	USE basic_constants_and_equations_mod, &
3038	ONLY: barometric_formula, exner_function, ideal_gas_law_rho, magnus
3039
3040	USE control_parameters, &
3041	ONLY: pt_surface, surface_pressure
3042
3043	IMPLICIT NONE
3044
3045	INTEGER(iwp), INTENT(in) :: i !<
3046	INTEGER(iwp), INTENT(in) :: j !<
3047
3048	REAL(wp) :: t_surface !< absolute surface temperature (K)
3049
3050	REAL(wp), DIMENSION(nzb:nzt+1) :: e_s !< saturation vapour pressure over water (Pa)
3051
3052	REAL(wp), DIMENSION(:), INTENT(inout) :: adn_ij !< air density (kg/m3)
3053	REAL(wp), DIMENSION(:), INTENT(inout) :: p_ij !< air pressure (Pa)
3054	REAL(wp), DIMENSION(:), INTENT(inout) :: temp_ij !< air temperature (K)
3055
3056	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cw_ij !< water vapour concentration (kg/m3)
3057	REAL(wp), DIMENSION(:), INTENT(inout), OPTIONAL :: cs_ij !< saturation water vap. conc.(kg/m3)
3058	!
3059	!-- Pressure p_ijk (Pa) = hydrostatic pressure
3060	t_surface = pt_surface * exner_function( surface_pressure * 100.0_wp )
3061	p_ij(:) = barometric_formula( zu, t_surface, surface_pressure * 100.0_wp )
3062	!
3063	!-- Absolute ambient temperature (K)
3064	temp_ij(:) = pt(:,j,i) * exner_function( p_ij(:) )
3065	!
3066	!-- Air density
3067	adn_ij(:) = ideal_gas_law_rho( p_ij(:), temp_ij(:) )
3068	!
3069	!-- Water vapour concentration r_v (kg/m3)
3070	IF ( PRESENT( cw_ij ) ) THEN
3071	cw_ij(:) = ( q(:,j,i) / ( 1.0_wp - q(:,j,i) ) ) * adn_ij(:)
3072	ENDIF
3073	!
3074	!-- Saturation mixing ratio r_s (kg/kg) from vapour pressure at temp (Pa)
3075	IF ( PRESENT( cs_ij ) ) THEN
3076	e_s(:) = 611.0_wp * EXP( alv_d_rv * ( 3.6609E-3_wp - 1.0_wp / &
3077	temp_ij(:) ) )! magnus( temp_ij(:) )
3078	cs_ij(:) = ( 0.622_wp * e_s / ( p_ij(:) - e_s(:) ) ) * adn_ij(:)
3079	ENDIF
3080
3081	END SUBROUTINE salsa_thrm_ij
3082
3083	!------------------------------------------------------------------------------!
3084	! Description:
3085	! ------------
3086	!> Calculates ambient sizes of particles by equilibrating soluble fraction of
3087	!> particles with water using the ZSR method (Stokes and Robinson, 1966).
3088	!> Method:
3089	!> Following chemical components are assumed water-soluble
3090	!> - (ammonium) sulphate (100%)
3091	!> - sea salt (100 %)
3092	!> - organic carbon (epsoc * 100%)
3093	!> Exact thermodynamic considerations neglected.
3094	!> - If particles contain no sea salt, calculation according to sulphate
3095	!> properties
3096	!> - If contain sea salt but no sulphate, calculation according to sea salt
3097	!> properties
3098	!> - If contain both sulphate and sea salt -> the molar fraction of these
3099	!> compounds determines which one of them is used as the basis of calculation.
3100	!> If sulphate and sea salt coexist in a particle, it is assumed that the Cl is
3101	!> replaced by sulphate; thus only either sulphate + organics or sea salt +
3102	!> organics is included in the calculation of soluble fraction.
3103	!> Molality parameterizations taken from Table 1 of Tang: Thermodynamic and
3104	!> optical properties of mixed-salt aerosols of atmospheric importance,
3105	!> J. Geophys. Res., 102 (D2), 1883-1893 (1997)
3106	!
3107	!> Coded by:
3108	!> Hannele Korhonen (FMI) 2005
3109	!> Harri Kokkola (FMI) 2006
3110	!> Matti Niskanen(FMI) 2012
3111	!> Anton Laakso (FMI) 2013
3112	!> Modified for the new aerosol datatype, Juha Tonttila (FMI) 2014
3113	!
3114	!> fxm: should sea salt form a solid particle when prh is very low (even though
3115	!> it could be mixed with e.g. sulphate)?
3116	!> fxm: crashes if no sulphate or sea salt
3117	!> fxm: do we really need to consider Kelvin effect for subrange 2
3118	!------------------------------------------------------------------------------!
3119	SUBROUTINE equilibration( prh, ptemp, paero, init )
3120
3121	IMPLICIT NONE
3122
3123	INTEGER(iwp) :: ib !< loop index
3124	INTEGER(iwp) :: counti !< loop index
3125
3126	LOGICAL, INTENT(in) :: init !< TRUE: Initialization, FALSE: Normal runtime: update water
3127	!< content only for 1a
3128
3129	REAL(wp) :: zaw !< water activity [0-1]
3130	REAL(wp) :: zcore !< Volume of dry particle
3131	REAL(wp) :: zdold !< Old diameter
3132	REAL(wp) :: zdwet !< Wet diameter or mean droplet diameter
3133	REAL(wp) :: zke !< Kelvin term in the KÃ¶hler equation
3134	REAL(wp) :: zlwc !< liquid water content [kg/m3-air]
3135	REAL(wp) :: zrh !< Relative humidity
3136
3137	REAL(wp), DIMENSION(maxspec) :: zbinmol !< binary molality of each components (mol/kg)
3138	REAL(wp), DIMENSION(maxspec) :: zvpart !< volume of chem. compounds in one particle
3139
3140	REAL(wp), INTENT(in) :: prh !< relative humidity [0-1]
3141	REAL(wp), INTENT(in) :: ptemp !< temperature (K)
3142
3143	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3144
3145	zaw = 0.0_wp
3146	zlwc = 0.0_wp
3147	!
3148	!-- Relative humidity:
3149	zrh = prh
3150	zrh = MAX( zrh, 0.05_wp )
3151	zrh = MIN( zrh, 0.98_wp)
3152	!
3153	!-- 1) Regime 1: sulphate and partly water-soluble OC. Done for every CALL
3154	DO ib = start_subrange_1a, end_subrange_1a ! size bin
3155
3156	zbinmol = 0.0_wp
3157	zdold = 1.0_wp
3158	zke = 1.02_wp
3159
3160	IF ( paero(ib)%numc > nclim ) THEN
3161	!
3162	!-- Volume in one particle
3163	zvpart = 0.0_wp
3164	zvpart(1:2) = paero(ib)%volc(1:2) / paero(ib)%numc
3165	zvpart(6:7) = paero(ib)%volc(6:7) / paero(ib)%numc
3166	!
3167	!-- Total volume and wet diameter of one dry particle
3168	zcore = SUM( zvpart(1:2) )
3169	zdwet = paero(ib)%dwet
3170
3171	counti = 0
3172	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-2_wp )
3173
3174	zdold = MAX( zdwet, 1.0E-20_wp )
3175	zaw = MAX( 1.0E-3_wp, zrh / zke ) ! To avoid underflow
3176	!
3177	!-- Binary molalities (mol/kg):
3178	!-- Sulphate
3179	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3180	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3181	!-- Organic carbon
3182	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3183	!-- Nitric acid
3184	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - 6.210577919E+1_wp * zaw**2 &
3185	+ 5.510176187E+2_wp * zaw*3 - 1.460055286E+3_wp zaw**4 &
3186	+ 1.894467542E+3_wp * zaw*5 - 1.220611402E+3_wp zaw**6 &
3187	+ 3.098597737E+2_wp * zaw**7
3188	!
3189	!-- Calculate the liquid water content (kg/m3-air) using ZSR (see e.g. Eq. 10.98 in
3190	!-- Seinfeld and Pandis (2006))
3191	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3192	epsoc * paero(ib)%volc(2) * ( arhooc / amoc ) / zbinmol(2) + &
3193	( paero(ib)%volc(6) * ( arhohno3/amhno3 ) ) / zbinmol(6)
3194	!
3195	!-- Particle wet diameter (m)
3196	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3197	zcore / api6 )**0.33333333_wp
3198	!
3199	!-- Kelvin effect (Eq. 10.85 in in Seinfeld and Pandis (2006)). Avoid
3200	!-- overflow.
3201	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * ptemp * zdwet ) ) )
3202
3203	counti = counti + 1
3204	IF ( counti > 1000 ) THEN
3205	message_string = 'Subrange 1: no convergence!'
3206	CALL message( 'salsa_mod: equilibration', 'PA0617', 1, 2, 0, 6, 0 )
3207	ENDIF
3208	ENDDO
3209	!
3210	!-- Instead of lwc, use the volume concentration of water from now on
3211	!-- (easy to convert...)
3212	paero(ib)%volc(8) = zlwc / arhoh2o
3213	!
3214	!-- If this is initialization, update the core and wet diameter
3215	IF ( init ) THEN
3216	paero(ib)%dwet = zdwet
3217	paero(ib)%core = zcore
3218	ENDIF
3219
3220	ELSE
3221	!-- If initialization
3222	!-- 1.2) empty bins given bin average values
3223	IF ( init ) THEN
3224	paero(ib)%dwet = paero(ib)%dmid
3225	paero(ib)%core = api6 * paero(ib)%dmid**3
3226	ENDIF
3227
3228	ENDIF
3229
3230	ENDDO ! ib
3231	!
3232	!-- 2) Regime 2a: sulphate, OC, BC and sea salt
3233	!-- This is done only for initialization call, otherwise the water contents
3234	!-- are computed via condensation
3235	IF ( init ) THEN
3236	DO ib = start_subrange_2a, end_subrange_2b
3237	!
3238	!-- Initialize
3239	zke = 1.02_wp
3240	zbinmol = 0.0_wp
3241	zdold = 1.0_wp
3242	!
3243	!-- 1) Particle properties calculated for non-empty bins
3244	IF ( paero(ib)%numc > nclim ) THEN
3245	!
3246	!-- Volume in one particle [fxm]
3247	zvpart = 0.0_wp
3248	zvpart(1:7) = paero(ib)%volc(1:7) / paero(ib)%numc
3249	!
3250	!-- Total volume and wet diameter of one dry particle [fxm]
3251	zcore = SUM( zvpart(1:5) )
3252	zdwet = paero(ib)%dwet
3253
3254	counti = 0
3255	DO WHILE ( ABS( zdwet / zdold - 1.0_wp ) > 1.0E-12_wp )
3256
3257	zdold = MAX( zdwet, 1.0E-20_wp )
3258	zaw = zrh / zke
3259	!
3260	!-- Binary molalities (mol/kg):
3261	!-- Sulphate
3262	zbinmol(1) = 1.1065495E+2_wp - 3.6759197E+2_wp * zaw + 5.0462934E+2_wp * zaw**2 - &
3263	3.1543839E+2_wp * zaw*3 + 6.770824E+1_wp zaw**4
3264	!-- Organic carbon
3265	zbinmol(2) = 1.0_wp / ( zaw * amh2o ) - 1.0_wp / amh2o
3266	!-- Nitric acid
3267	zbinmol(6) = 2.306844303E+1_wp - 3.563608869E+1_wp * zaw - &
3268	6.210577919E+1_wp * zaw*2 + 5.510176187E+2_wp zaw**3 - &
3269	1.460055286E+3_wp * zaw*4 + 1.894467542E+3_wp zaw**5 - &
3270	1.220611402E+3_wp * zaw*6 + 3.098597737E+2_wp zaw**7
3271	!-- Sea salt (natrium chloride)
3272	zbinmol(5) = 5.875248E+1_wp - 1.8781997E+2_wp * zaw + 2.7211377E+2_wp * zaw**2 - &
3273	1.8458287E+2_wp * zaw*3 + 4.153689E+1_wp zaw**4
3274	!
3275	!-- Calculate the liquid water content (kg/m3-air)
3276	zlwc = ( paero(ib)%volc(1) * ( arhoh2so4 / amh2so4 ) ) / zbinmol(1) + &
3277	epsoc * ( paero(ib)%volc(2) * ( arhooc / amoc ) ) / zbinmol(2) + &
3278	( paero(ib)%volc(6) * ( arhohno3 / amhno3 ) ) / zbinmol(6) + &
3279	( paero(ib)%volc(5) * ( arhoss / amss ) ) / zbinmol(5)
3280
3281	!-- Particle wet radius (m)
3282	zdwet = ( zlwc / paero(ib)%numc / arhoh2o / api6 + ( SUM( zvpart(6:7) ) / api6 ) + &
3283	zcore / api6 )**0.33333333_wp
3284	!
3285	!-- Kelvin effect (Eq. 10.85 in Seinfeld and Pandis (2006))
3286	zke = EXP( MIN( 50.0_wp, 4.0_wp * surfw0 * amvh2so4 / ( abo * zdwet * ptemp ) ) )
3287
3288	counti = counti + 1
3289	IF ( counti > 1000 ) THEN
3290	message_string = 'Subrange 2: no convergence!'
3291	CALL message( 'salsa_mod: equilibration', 'PA0618', 1, 2, 0, 6, 0 )
3292	ENDIF
3293	ENDDO
3294	!
3295	!-- Liquid water content; instead of LWC use the volume concentration
3296	paero(ib)%volc(8) = zlwc / arhoh2o
3297	paero(ib)%dwet = zdwet
3298	paero(ib)%core = zcore
3299
3300	ELSE
3301	!-- 2.2) empty bins given bin average values
3302	paero(ib)%dwet = paero(ib)%dmid
3303	paero(ib)%core = api6 * paero(ib)%dmid**3
3304	ENDIF
3305
3306	ENDDO ! ib
3307	ENDIF
3308
3309	END SUBROUTINE equilibration
3310
3311	!------------------------------------------------------------------------------!
3312	!> Description:
3313	!> ------------
3314	!> Calculation of the settling velocity vc (m/s) per aerosol size bin and
3315	!> deposition on plant canopy (lsdepo_pcm).
3316	!
3317	!> Deposition is based on either the scheme presented in:
3318	!> Zhang et al. (2001), Atmos. Environ. 35, 549-560 (includes collection due to
3319	!> Brownian diffusion, impaction, interception and sedimentation; hereafter ZO1)
3320	!> OR
3321	!> Petroff & Zhang (2010), Geosci. Model Dev. 3, 753-769 (includes also
3322	!> collection due to turbulent impaction, hereafter P10)
3323	!
3324	!> Equation numbers refer to equation in Jacobson (2005): Fundamentals of
3325	!> Atmospheric Modeling, 2nd Edition.
3326	!
3327	!> Subroutine follows closely sedim_SALSA in UCLALES-SALSA written by Juha
3328	!> Tonttila (KIT/FMI) and Zubair Maalick (UEF).
3329	!> Rewritten to PALM by Mona Kurppa (UH), 2017.
3330	!
3331	!> Call for grid point i,j,k
3332	!------------------------------------------------------------------------------!
3333
3334	SUBROUTINE deposition( paero, tk, adn, mag_u, lad, kvis, schmidt_num, vc )
3335
3336	USE plant_canopy_model_mod, &
3337	ONLY: cdc
3338
3339	IMPLICIT NONE
3340
3341	INTEGER(iwp) :: ib !< loop index
3342
3343	REAL(wp) :: avis !< molecular viscocity of air (kg/(m*s))
3344	REAL(wp) :: Cc !< Cunningham slip-flow correction factor
3345	REAL(wp) :: Kn !< Knudsen number
3346	REAL(wp) :: lambda !< molecular mean free path (m)
3347	REAL(wp) :: mdiff !< particle diffusivity coefficient
3348	REAL(wp) :: pdn !< particle density (kg/m3)
3349	REAL(wp) :: ustar !< friction velocity (m/s)
3350	REAL(wp) :: va !< thermal speed of an air molecule (m/s)
3351	REAL(wp) :: zdwet !< wet diameter (m)
3352
3353	REAL(wp), INTENT(in) :: adn !< air density (kg/m3)
3354	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3355	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3356	REAL(wp), INTENT(in) :: tk !< abs.temperature (K)
3357
3358	REAL(wp), INTENT(inout) :: kvis !< kinematic viscosity of air (m2/s)
3359
3360	REAL(wp), DIMENSION(:), INTENT(inout) :: schmidt_num !< particle Schmidt number
3361	REAL(wp), DIMENSION(:), INTENT(inout) :: vc !< critical fall speed i.e. settling velocity of
3362	!< an aerosol particle (m/s)
3363
3364	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3365	!
3366	!-- Initialise
3367	pdn = 1500.0_wp ! default value
3368	ustar = 0.0_wp
3369	!
3370	!-- Molecular viscosity of air (Eq. 4.54)
3371	avis = 1.8325E-5_wp * ( 416.16_wp / ( tk + 120.0_wp ) ) * ( tk / 296.16_wp )**1.5_wp
3372	!
3373	!-- Kinematic viscosity (Eq. 4.55)
3374	kvis = avis / adn
3375	!
3376	!-- Thermal velocity of an air molecule (Eq. 15.32)
3377	va = SQRT( 8.0_wp * abo * tk / ( pi * am_airmol ) )
3378	!
3379	!-- Mean free path (m) (Eq. 15.24)
3380	lambda = 2.0_wp * avis / ( adn * va )
3381
3382	DO ib = 1, nbins_aerosol
3383
3384	IF ( paero(ib)%numc < nclim ) CYCLE
3385	zdwet = paero(ib)%dwet
3386	!
3387	!-- Knudsen number (Eq. 15.23)
3388	Kn = MAX( 1.0E-2_wp, lambda / ( zdwet * 0.5_wp ) ) ! To avoid underflow
3389	!
3390	!-- Cunningham slip-flow correction (Eq. 15.30)
3391	Cc = 1.0_wp + Kn * ( 1.249_wp + 0.42_wp * EXP( -0.87_wp / Kn ) )
3392
3393	!-- Particle diffusivity coefficient (Eq. 15.29)
3394	mdiff = ( abo * tk * Cc ) / ( 3.0_wp * pi * avis * zdwet )
3395	!
3396	!-- Particle Schmidt number (Eq. 15.36)
3397	schmidt_num(ib) = kvis / mdiff
3398	!
3399	!-- Critical fall speed i.e. settling velocity (Eq. 20.4)
3400	vc(ib) = MIN( 1.0_wp, terminal_vel( 0.5_wp * zdwet, pdn, adn, avis, Cc) )
3401	!
3402	!-- Friction velocity for deposition on vegetation. Calculated following Prandtl (1925):
3403	IF ( lsdepo_pcm .AND. plant_canopy .AND. lad > 0.0_wp ) THEN
3404	ustar = SQRT( cdc ) * mag_u
3405	CALL depo_pcm( paero, ib, vc(ib), mag_u, ustar, kvis, schmidt_num(ib), lad )
3406	ENDIF
3407	ENDDO
3408
3409	END SUBROUTINE deposition
3410
3411	!------------------------------------------------------------------------------!
3412	! Description:
3413	! ------------
3414	!> Calculate change in number and volume concentrations due to deposition on
3415	!> plant canopy.
3416	!------------------------------------------------------------------------------!
3417	SUBROUTINE depo_pcm( paero, ib, vc, mag_u, ustar, kvis_a, schmidt_num, lad )
3418
3419	IMPLICIT NONE
3420
3421	INTEGER(iwp) :: ic !< loop index
3422
3423	INTEGER(iwp), INTENT(in) :: ib !< loop index
3424
3425	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3426	REAL(wp) :: beta_im !< parameter for turbulent impaction
3427	REAL(wp) :: depo !< deposition efficiency
3428	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3429	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3430	REAL(wp) :: c_interception !< coefficient for interception
3431	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3432	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3433	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3434	!< Table 3 in Z01
3435	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3436	REAL(wp) :: rs !< overall quasi-laminar resistance for particles
3437	REAL(wp) :: stokes_num !< Stokes number for smooth or bluff surfaces
3438	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3439	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3440	REAL(wp) :: v_im !< deposition velocity due to impaction
3441	REAL(wp) :: v_in !< deposition velocity due to interception
3442	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3443
3444	REAL(wp), INTENT(in) :: kvis_a !< kinematic viscosity of air (m2/s)
3445	REAL(wp), INTENT(in) :: lad !< leaf area density (m2/m3)
3446	REAL(wp), INTENT(in) :: mag_u !< wind velocity (m/s)
3447	REAL(wp), INTENT(in) :: schmidt_num !< particle Schmidt number
3448	REAL(wp), INTENT(in) :: ustar !< friction velocity (m/s)
3449	REAL(wp), INTENT(in) :: vc !< terminal velocity (m/s)
3450
3451	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< aerosol properties
3452	!
3453	!-- Initialise
3454	rs = 0.0_wp
3455	tau_plus = 0.0_wp
3456	v_bd = 0.0_wp
3457	v_im = 0.0_wp
3458	v_in = 0.0_wp
3459	v_it = 0.0_wp
3460
3461	IF ( depo_pcm_par == 'zhang2001' ) THEN
3462	!
3463	!-- Parameters for the land use category 'deciduous broadleaf trees'(Table 3)
3464	alpha = alpha_z01(depo_pcm_type_num)
3465	gamma = gamma_z01(depo_pcm_type_num)
3466	par_a = A_z01(depo_pcm_type_num, season) * 1.0E-3_wp
3467	!
3468	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3469	stokes_num = vc * ustar / ( g * par_a )
3470	!
3471	!-- The overall quasi-laminar resistance for particles (Zhang et al., Eq. 5)
3472	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * ustar * EXP( -stokes_num*0.5_wp ) &
3473	( schmidt_num( -gamma ) + ( stokes_num / ( alpha + stokes_num ) )2 + &
3474	0.5_wp * ( paero(ib)%dwet / par_a )**2 ) ) )
3475
3476	depo = ( rs + vc ) * lad
3477
3478	ELSEIF ( depo_pcm_par == 'petroff2010' ) THEN
3479	!
3480	!-- vd = v_BD + v_IN + v_IM + v_IT + vc
3481	!-- Deposition efficiencies from Table 1. Constants from Table 2.
3482	par_l = l_p10(depo_pcm_type_num) * 0.01_wp
3483	c_brownian_diff = c_b_p10(depo_pcm_type_num)
3484	c_interception = c_in_p10(depo_pcm_type_num)
3485	c_impaction = c_im_p10(depo_pcm_type_num)
3486	beta_im = beta_im_p10(depo_pcm_type_num)
3487	c_turb_impaction = c_it_p10(depo_pcm_type_num)
3488	!
3489	!-- Stokes number for vegetated surfaces (Seinfeld & Pandis (2006): Eq.19.24)
3490	stokes_num = vc * ustar / ( g * par_l )
3491	!
3492	!-- Non-dimensional relexation time of the particle on top of canopy
3493	tau_plus = vc * ustar*2 / ( kvis_a g )
3494	!
3495	!-- Brownian diffusion
3496	v_bd = mag_u * c_brownian_diff * schmidt_num*( -0.66666666_wp ) &
3497	( mag_u * par_l / kvis_a )**( -0.5_wp )
3498	!
3499	!-- Interception
3500	v_in = mag_u * c_interception * paero(ib)%dwet / par_l * ( 2.0_wp + LOG( 2.0_wp * par_l / &
3501	paero(ib)%dwet ) )
3502	!
3503	!-- Impaction: Petroff (2009) Eq. 18
3504	v_im = mag_u * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
3505	!
3506	!-- Turbulent impaction
3507	IF ( tau_plus < 20.0_wp ) THEN
3508	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
3509	ELSE
3510	v_it = c_turb_impaction
3511	ENDIF
3512
3513	depo = ( v_bd + v_in + v_im + v_it + vc ) * lad
3514
3515	ENDIF
3516	!
3517	!-- Calculate the change in concentrations
3518	paero(ib)%numc = paero(ib)%numc - depo * paero(ib)%numc * dt_salsa
3519	DO ic = 1, maxspec+1
3520	paero(ib)%volc(ic) = paero(ib)%volc(ic) - depo * paero(ib)%volc(ic) * dt_salsa
3521	ENDDO
3522
3523	END SUBROUTINE depo_pcm
3524
3525	!------------------------------------------------------------------------------!
3526	! Description:
3527	! ------------
3528	!> Calculate the dry deposition on horizontal and vertical surfaces. Implement
3529	!> as a surface flux.
3530	!> @todo aerodynamic resistance ignored for now (not important for
3531	! high-resolution simulations)
3532	!------------------------------------------------------------------------------!
3533	SUBROUTINE depo_surf( i, j, surf, vc, schmidt_num, kvis, mag_u, norm, l )
3534
3535	USE arrays_3d, &
3536	ONLY: rho_air_zw
3537
3538	USE surface_mod, &
3539	ONLY: surf_type
3540
3541	IMPLICIT NONE
3542
3543	INTEGER(iwp) :: ib !< loop index
3544	INTEGER(iwp) :: ic !< loop index
3545	INTEGER(iwp) :: icc !< additional loop index
3546	INTEGER(iwp) :: k !< loop index
3547	INTEGER(iwp) :: m !< loop index
3548	INTEGER(iwp) :: surf_e !< End index of surface elements at (j,i)-gridpoint
3549	INTEGER(iwp) :: surf_s !< Start index of surface elements at (j,i)-gridpoint
3550
3551	INTEGER(iwp), INTENT(in) :: i !< loop index
3552	INTEGER(iwp), INTENT(in) :: j !< loop index
3553
3554	INTEGER(iwp), INTENT(in), OPTIONAL :: l !< index variable for surface facing
3555
3556	LOGICAL, INTENT(in) :: norm !< to normalise or not
3557
3558	REAL(wp) :: alpha !< parameter, Table 3 in Z01
3559	REAL(wp) :: beta_im !< parameter for turbulent impaction
3560	REAL(wp) :: c_brownian_diff !< coefficient for Brownian diffusion
3561	REAL(wp) :: c_impaction !< coefficient for inertial impaction
3562	REAL(wp) :: c_interception !< coefficient for interception
3563	REAL(wp) :: c_turb_impaction !< coefficient for turbulent impaction
3564	REAL(wp) :: depo !< deposition efficiency
3565	REAL(wp) :: gamma !< parameter, Table 3 in Z01
3566	REAL(wp) :: norm_fac !< normalisation factor (usually air density)
3567	REAL(wp) :: par_a !< parameter A for the characteristic radius of collectors,
3568	!< Table 3 in Z01
3569	REAL(wp) :: par_l !< obstacle characteristic dimension in P10
3570	REAL(wp) :: rs !< the overall quasi-laminar resistance for particles
3571	REAL(wp) :: stokes_num !< Stokes number for bluff surface elements
3572	REAL(wp) :: tau_plus !< dimensionless particle relaxation time
3573	REAL(wp) :: v_bd !< deposition velocity due to Brownian diffusion
3574	REAL(wp) :: v_im !< deposition velocity due to impaction
3575	REAL(wp) :: v_in !< deposition velocity due to interception
3576	REAL(wp) :: v_it !< deposition velocity due to turbulent impaction
3577
3578	REAL(wp), DIMENSION(:), INTENT(in) :: kvis !< kinematic viscosity of air (m2/s)
3579	REAL(wp), DIMENSION(:), INTENT(in) :: mag_u !< wind velocity (m/s)
3580
3581	REAL(wp), DIMENSION(:,:), INTENT(in) :: schmidt_num !< particle Schmidt number
3582	REAL(wp), DIMENSION(:,:), INTENT(in) :: vc !< terminal velocity (m/s)
3583
3584	TYPE(surf_type), INTENT(inout) :: surf !< respective surface type
3585	!
3586	!-- Initialise
3587	rs = 0.0_wp
3588	surf_s = surf%start_index(j,i)
3589	surf_e = surf%end_index(j,i)
3590	tau_plus = 0.0_wp
3591	v_bd = 0.0_wp
3592	v_im = 0.0_wp
3593	v_in = 0.0_wp
3594	v_it = 0.0_wp
3595	!
3596	!-- Model parameters for the land use category. If LSM is applied, import
3597	!-- characteristics. Otherwise, apply surface type "urban".
3598	alpha = alpha_z01(luc_urban)
3599	gamma = gamma_z01(luc_urban)
3600	par_a = A_z01(luc_urban, season) * 1.0E-3_wp
3601
3602	par_l = l_p10(luc_urban) * 0.01_wp
3603	c_brownian_diff = c_b_p10(luc_urban)
3604	c_interception = c_in_p10(luc_urban)
3605	c_impaction = c_im_p10(luc_urban)
3606	beta_im = beta_im_p10(luc_urban)
3607	c_turb_impaction = c_it_p10(luc_urban)
3608
3609	DO m = surf_s, surf_e
3610	k = surf%k(m)
3611
3612	IF ( norm ) THEN
3613	norm_fac = rho_air_zw(k)
3614	IF ( land_surface ) THEN
3615	alpha = alpha_z01( lsm_to_depo_h%match(m) )
3616	beta_im = beta_im_p10( lsm_to_depo_h%match(m) )
3617	c_brownian_diff = c_b_p10( lsm_to_depo_h%match(m) )
3618	c_impaction = c_im_p10( lsm_to_depo_h%match(m) )
3619	c_interception = c_in_p10( lsm_to_depo_h%match(m) )
3620	c_turb_impaction = c_it_p10( lsm_to_depo_h%match(m) )
3621	gamma = gamma_z01( lsm_to_depo_h%match(m) )
3622	par_a = A_z01( lsm_to_depo_h%match(m), season ) * 1.0E-3_wp
3623	par_l = l_p10( lsm_to_depo_h%match(m) ) * 0.01_wp
3624	ENDIF
3625	ELSE
3626	norm_fac = 0.0_wp
3627	IF ( land_surface ) THEN
3628	alpha = alpha_z01( lsm_to_depo_v(l)%match(m) )
3629	beta_im = beta_im_p10( lsm_to_depo_v(l)%match(m) )
3630	c_brownian_diff = c_b_p10( lsm_to_depo_v(l)%match(m) )
3631	c_impaction = c_im_p10( lsm_to_depo_v(l)%match(m) )
3632	c_interception = c_in_p10( lsm_to_depo_v(l)%match(m) )
3633	c_turb_impaction = c_it_p10( lsm_to_depo_v(l)%match(m) )
3634	gamma = gamma_z01( lsm_to_depo_v(l)%match(m) )
3635	par_a = A_z01( lsm_to_depo_v(l)%match(m), season ) * 1.0E-3_wp
3636	par_l = l_p10( lsm_to_depo_v(l)%match(m) ) * 0.01_wp
3637	ENDIF
3638	ENDIF
3639
3640	DO ib = 1, nbins_aerosol
3641	IF ( aerosol_number(ib)%conc(k,j,i) <= nclim .OR. schmidt_num(k+1,ib) < 1.0_wp ) CYCLE
3642
3643	IF ( depo_surf_par == 'zhang2001' ) THEN
3644	!
3645	!-- Stokes number for smooth surfaces or surfaces with bluff roughness
3646	!-- elements (Seinfeld and Pandis, 2nd edition (2006): Eq. 19.23)
3647	stokes_num = MAX( 0.01_wp, vc(k+1,ib) * surf%us(m)*2 / ( g kvis(k+1) ) )
3648	!
3649	!-- The overall quasi-laminar resistance for particles (Eq. 5)
3650	rs = MAX( EPSILON( 1.0_wp ), ( 3.0_wp * surf%us(m) * ( schmidt_num(k+1,ib)**( -gamma )&
3651	+ ( stokes_num / ( alpha + stokes_num ) )*2 + 0.5_wp ( ra_dry(k,j,i,ib) /&
3652	par_a )*2 ) EXP( -stokes_num**0.5_wp ) ) )
3653	depo = vc(k+1,ib) + rs
3654
3655	ELSEIF ( depo_surf_par == 'petroff2010' ) THEN
3656	!
3657	!-- vd = v_BD + v_IN + v_IM + v_IT + vc
3658	!
3659	!-- Stokes number for smooth surfaces or surfaces with bluff roughness
3660	!-- elements (Seinfeld and Pandis, 2nd edition (2006): Eq. 19.23)
3661	stokes_num = MAX( 0.01_wp, vc(k+1,ib) * surf%us(m)*2 / ( g kvis(k+1) ) )
3662	!
3663	!-- Non-dimensional relexation time of the particle on top of canopy
3664	tau_plus = vc(k+1,ib) * surf%us(m)*2 / ( kvis(k+1) g )
3665	!
3666	!-- Brownian diffusion
3667	v_bd = mag_u(k+1) * c_brownian_diff * schmidt_num(k+1,ib)*( -0.666666_wp ) &
3668	( mag_u(k+1) * par_l / kvis(k+1) )**( -0.5_wp )
3669	!
3670	!-- Interception
3671	v_in = mag_u(k+1) * c_interception * ra_dry(k,j,i,ib)/ par_l * &
3672	( 2.0_wp + LOG( 2.0_wp * par_l / ra_dry(k,j,i,ib) ) )
3673	!
3674	!-- Impaction: Petroff (2009) Eq. 18
3675	v_im = mag_u(k+1) * c_impaction * ( stokes_num / ( stokes_num + beta_im ) )**2
3676
3677	IF ( tau_plus < 20.0_wp ) THEN
3678	v_it = 2.5E-3_wp * c_turb_impaction * tau_plus**2
3679	ELSE
3680	v_it = c_turb_impaction
3681	ENDIF
3682	depo = v_bd + v_in + v_im + v_it + vc(k+1,ib)
3683
3684	ENDIF
3685	!
3686	!-- Calculate changes in surface fluxes due to dry deposition
3687	IF ( include_emission ) THEN
3688	surf%answs(m,ib) = aerosol_number(ib)%source(j,i) - &
3689	MAX( 0.0_wp, depo * norm_fac * aerosol_number(ib)%conc(k,j,i) )
3690	DO ic = 1, ncomponents_mass
3691	icc = ( ic - 1 ) * nbins_aerosol + ib
3692	surf%amsws(m,icc) = aerosol_mass(icc)%source(j,i) - &
3693	MAX( 0.0_wp, depo * norm_fac * aerosol_mass(icc)%conc(k,j,i) )
3694	ENDDO ! ic
3695	ELSE
3696	surf%answs(m,ib) = -depo * norm_fac * aerosol_number(ib)%conc(k,j,i)
3697	DO ic = 1, ncomponents_mass
3698	icc = ( ic - 1 ) * nbins_aerosol + ib
3699	surf%amsws(m,icc) = -depo * norm_fac * aerosol_mass(icc)%conc(k,j,i)
3700	ENDDO ! ic
3701	ENDIF
3702	ENDDO ! ib
3703	ENDDO ! m
3704
3705	END SUBROUTINE depo_surf
3706
3707	!------------------------------------------------------------------------------!
3708	! Description:
3709	! ------------
3710	! Function for calculating terminal velocities for different particles sizes.
3711	!------------------------------------------------------------------------------!
3712	REAL(wp) FUNCTION terminal_vel( radius, rhop, rhoa, visc, beta )
3713
3714	IMPLICIT NONE
3715
3716	REAL(wp), INTENT(in) :: beta !< Cunningham correction factor
3717	REAL(wp), INTENT(in) :: radius !< particle radius (m)
3718	REAL(wp), INTENT(in) :: rhop !< particle density (kg/m3)
3719	REAL(wp), INTENT(in) :: rhoa !< air density (kg/m3)
3720	REAL(wp), INTENT(in) :: visc !< molecular viscosity of air (kg/(m*s))
3721
3722	!
3723	!-- Stokes law with Cunningham slip correction factor
3724	terminal_vel = 4.0_wp * radius*2 ( rhop - rhoa ) * g * beta / ( 18.0_wp * visc ) ! (m/s)
3725
3726	END FUNCTION terminal_vel
3727
3728	!------------------------------------------------------------------------------!
3729	! Description:
3730	! ------------
3731	!> Calculates particle loss and change in size distribution due to (Brownian)
3732	!> coagulation. Only for particles with dwet < 30 micrometres.
3733	!
3734	!> Method:
3735	!> Semi-implicit, non-iterative method: (Jacobson, 1994)
3736	!> Volume concentrations of the smaller colliding particles added to the bin of
3737	!> the larger colliding particles. Start from first bin and use the updated
3738	!> number and volume for calculation of following bins. NB! Our bin numbering
3739	!> does not follow particle size in subrange 2.
3740	!
3741	!> Schematic for bin numbers in different subranges:
3742	!> 1 2
3743	!> +-------------------------------------------+
3744	!> a \| 1 \| 2 \| 3 \|\| 4 \| 5 \| 6 \| 7 \| 8 \| 9 \| 10\|\|
3745	!> b \| \|\|11 \|12 \|13 \|14 \| 15 \| 16 \| 17\|\|
3746	!> +-------------------------------------------+
3747	!
3748	!> Exact coagulation coefficients for each pressure level are scaled according
3749	!> to current particle wet size (linear scaling).
3750	!> Bins are organized in terms of the dry size of the condensation nucleus,
3751	!> while coagulation kernell is calculated with the actual hydrometeor
3752	!> size.
3753	!
3754	!> Called from salsa_driver
3755	!> fxm: Process selection should be made smarter - now just lots of IFs inside
3756	!> loops
3757	!
3758	!> Coded by:
3759	!> Hannele Korhonen (FMI) 2005
3760	!> Harri Kokkola (FMI) 2006
3761	!> Tommi Bergman (FMI) 2012
3762	!> Matti Niskanen(FMI) 2012
3763	!> Anton Laakso (FMI) 2013
3764	!> Juha Tonttila (FMI) 2014
3765	!------------------------------------------------------------------------------!
3766	SUBROUTINE coagulation( paero, ptstep, ptemp, ppres )
3767
3768	IMPLICIT NONE
3769
3770	INTEGER(iwp) :: index_2a !< corresponding bin in subrange 2a
3771	INTEGER(iwp) :: index_2b !< corresponding bin in subrange 2b
3772	INTEGER(iwp) :: ib !< loop index
3773	INTEGER(iwp) :: ll !< loop index
3774	INTEGER(iwp) :: mm !< loop index
3775	INTEGER(iwp) :: nn !< loop index
3776
3777	REAL(wp) :: pressi !< pressure
3778	REAL(wp) :: temppi !< temperature
3779	REAL(wp) :: zdpart_mm !< diameter of particle (m)
3780	REAL(wp) :: zdpart_nn !< diameter of particle (m)
3781	REAL(wp) :: zminusterm !< coagulation loss in a bin (1/s)
3782
3783	REAL(wp), INTENT(in) :: ppres !< ambient pressure (Pa)
3784	REAL(wp), INTENT(in) :: ptemp !< ambient temperature (K)
3785	REAL(wp), INTENT(in) :: ptstep !< time step (s)
3786
3787	REAL(wp), DIMENSION(nbins_aerosol) :: zmpart !< approximate mass of particles (kg)
3788	REAL(wp), DIMENSION(maxspec+1) :: zplusterm !< coagulation gain in a bin (for each
3789	!< chemical compound)
3790	REAL(wp), DIMENSION(nbins_aerosol,nbins_aerosol) :: zcc !< updated coagulation coefficients (m3/s)
3791
3792	TYPE(t_section), DIMENSION(nbins_aerosol), INTENT(inout) :: paero !< Aerosol properties
3793
3794	zdpart_mm = 0.0_wp
3795	zdpart_nn = 0.0_wp
3796	!
3797	!-- 1) Coagulation to coarse mode calculated in a simplified way:
3798	!-- CoagSink ~ Dp in continuum subrange, thus we calculate 'effective'
3799	!-- number concentration of coarse particles
3800
3801	!-- 2) Updating coagulation coefficients
3802	!
3803	!-- Aerosol mass (kg). Density of 1500 kg/m3 assumed
3804	zmpart(1:end_subrange_2b) = api6 * ( MIN( paero(1:end_subrange_2b)%dwet, 30.0E-6_wp )**3 ) &
3805	* 1500.0_wp
3806	temppi = ptemp
3807	pressi = ppres
3808	zcc = 0.0_wp
3809	!
3810	!-- Aero-aero coagulation
3811	DO mm = 1, end_subrange_2b ! smaller colliding particle
3812	IF ( paero(mm)%numc < nclim ) CYCLE
3813	DO nn = mm, end_subrange_2b ! larger colliding particle
3814	IF ( paero(nn)%numc < nclim ) CYCLE
3815
3816	zdpart_mm = MIN( paero(mm)%dwet, 30.0E-6_wp ) ! Limit to 30 um
3817	zdpart_nn = MIN( paero(nn)%dwet, 30.0E-6_wp ) ! Limit to 30 um
3818	!
3819	!-- Coagulation coefficient of particles (m3/s)
3820	zcc(mm,nn) = coagc( zdpart_mm, zdpart_nn, zmpart(mm), zmpart(nn), temppi, pressi )
3821	zcc(nn,mm) = zcc(mm,nn)
3822	ENDDO
3823	ENDDO
3824
3825	!
3826	!-- 3) New particle and volume concentrations after coagulation:
3827	!-- Calculated according to Jacobson (2005) eq. 15.9
3828	!
3829	!-- Aerosols in subrange 1a:
3830	DO ib = start_subrange_1a, end_subrange_1a
3831	IF ( paero(ib)%numc < nclim ) CYCLE
3832	zminusterm = 0.0_wp
3833	zplusterm(:) = 0.0_wp
3834	!
3835	!-- Particles lost by coagulation with larger aerosols
3836	DO ll = ib+1, end_subrange_2b
3837	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3838	ENDDO
3839	!
3840	!-- Coagulation gain in a bin: change in volume conc. (cm3/cm3):
3841	DO ll = start_subrange_1a, ib - 1
3842	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
3843	zplusterm(6:7) = zplusterm(6:7) + zcc(ll,ib) * paero(ll)%volc(6:7)
3844	zplusterm(8) = zplusterm(8) + zcc(ll,ib) * paero(ll)%volc(8)
3845	ENDDO
3846	!
3847	!-- Volume and number concentrations after coagulation update [fxm]
3848	paero(ib)%volc(1:2) = ( paero(ib)%volc(1:2) + ptstep * zplusterm(1:2) * paero(ib)%numc ) / &
3849	( 1.0_wp + ptstep * zminusterm )
3850	paero(ib)%volc(6:8) = ( paero(ib)%volc(6:8) + ptstep * zplusterm(6:8) * paero(ib)%numc ) / &
3851	( 1.0_wp + ptstep * zminusterm )
3852	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
3853	zcc(ib,ib) * paero(ib)%numc )
3854	ENDDO
3855	!
3856	!-- Aerosols in subrange 2a:
3857	DO ib = start_subrange_2a, end_subrange_2a
3858	IF ( paero(ib)%numc < nclim ) CYCLE
3859	zminusterm = 0.0_wp
3860	zplusterm(:) = 0.0_wp
3861	!
3862	!-- Find corresponding size bin in subrange 2b
3863	index_2b = ib - start_subrange_2a + start_subrange_2b
3864	!
3865	!-- Particles lost by larger particles in 2a
3866	DO ll = ib+1, end_subrange_2a
3867	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3868	ENDDO
3869	!
3870	!-- Particles lost by larger particles in 2b
3871	IF ( .NOT. no_insoluble ) THEN
3872	DO ll = index_2b+1, end_subrange_2b
3873	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3874	ENDDO
3875	ENDIF
3876	!
3877	!-- Particle volume gained from smaller particles in subranges 1, 2a and 2b
3878	DO ll = start_subrange_1a, ib-1
3879	zplusterm(1:2) = zplusterm(1:2) + zcc(ll,ib) * paero(ll)%volc(1:2)
3880	zplusterm(6:8) = zplusterm(6:8) + zcc(ll,ib) * paero(ll)%volc(6:8)
3881	ENDDO
3882	!
3883	!-- Particle volume gained from smaller particles in 2a
3884	!-- (Note, for components not included in the previous loop!)
3885	DO ll = start_subrange_2a, ib-1
3886	zplusterm(3:5) = zplusterm(3:5) + zcc(ll,ib)*paero(ll)%volc(3:5)
3887	ENDDO
3888	!
3889	!-- Particle volume gained from smaller (and equal) particles in 2b
3890	IF ( .NOT. no_insoluble ) THEN
3891	DO ll = start_subrange_2b, index_2b
3892	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc(1:8)
3893	ENDDO
3894	ENDIF
3895	!
3896	!-- Volume and number concentrations after coagulation update [fxm]
3897	paero(ib)%volc(1:8) = ( paero(ib)%volc(1:8) + ptstep * zplusterm(1:8) * paero(ib)%numc ) / &
3898	( 1.0_wp + ptstep * zminusterm )
3899	paero(ib)%numc = paero(ib)%numc / ( 1.0_wp + ptstep * zminusterm + 0.5_wp * ptstep * &
3900	zcc(ib,ib) * paero(ib)%numc )
3901	ENDDO
3902	!
3903	!-- Aerosols in subrange 2b:
3904	IF ( .NOT. no_insoluble ) THEN
3905	DO ib = start_subrange_2b, end_subrange_2b
3906	IF ( paero(ib)%numc < nclim ) CYCLE
3907	zminusterm = 0.0_wp
3908	zplusterm(:) = 0.0_wp
3909	!
3910	!-- Find corresponding size bin in subsubrange 2a
3911	index_2a = ib - start_subrange_2b + start_subrange_2a
3912	!
3913	!-- Particles lost to larger particles in subranges 2b
3914	DO ll = ib + 1, end_subrange_2b
3915	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3916	ENDDO
3917	!
3918	!-- Particles lost to larger and equal particles in 2a
3919	DO ll = index_2a, end_subrange_2a
3920	zminusterm = zminusterm + zcc(ib,ll) * paero(ll)%numc
3921	ENDDO
3922	!
3923	!-- Particle volume gained from smaller particles in subranges 1 & 2a
3924	DO ll = start_subrange_1a, index_2a - 1
3925	zplusterm(1:8) = zplusterm(1:8) + zcc(ll,ib) * paero(ll)%volc