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source: palm/trunk/SOURCE/chemistry_model_mod.f90 @ 3962

Last change on this file since 3962 was 3930, checked in by forkel, 5 years ago
changed subroutine name from chem_non_transport_physics to chem_non_advective_processes
Property svn:keywords set to `Id`
File size: 225.8 KB

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1	!> @file chemistry_model_mod.f90
2	!------------------------------------------------------------------------------!
3	! This file is part of the PALM model system.
4	!
5	! PALM 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 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 2017-2019 Leibniz Universitaet Hannover
18	! Copyright 2017-2019 Karlsruhe Institute of Technology
19	! Copyright 2017-2019 Freie Universitaet Berlin
20	!------------------------------------------------------------------------------!
21	!
22	! Current revisions:
23	! -----------------
24	!
25	!
26	! Former revisions:
27	! -----------------
28	! $Id: chemistry_model_mod.f90 3930 2019-04-24 14:57:18Z suehring $
29	! Changed chem_non_transport_physics to chem_non_advective_processes
30	!
31	!
32	! 3929 2019-04-24 12:52:08Z banzhafs
33	! Correct/complete module_interface introduction for chemistry model
34	! Add subroutine chem_exchange_horiz_bounds
35	! Bug fix deposition
36	!
37	! 3784 2019-03-05 14:16:20Z banzhafs
38	! 2D output of emission fluxes
39	!
40	! 3784 2019-03-05 14:16:20Z banzhafs
41	! Bugfix, uncomment erroneous commented variable used for dry deposition.
42	! Bugfix in 3D emission output.
43	!
44	! 3784 2019-03-05 14:16:20Z banzhafs
45	! Changes related to global restructuring of location messages and introduction
46	! of additional debug messages
47	!
48	! 3784 2019-03-05 14:16:20Z banzhafs
49	! some formatting of the deposition code
50	!
51	! 3784 2019-03-05 14:16:20Z banzhafs
52	! some formatting
53	!
54	! 3784 2019-03-05 14:16:20Z banzhafs
55	! added cs_mech to USE chem_gasphase_mod
56	!
57	! 3784 2019-03-05 14:16:20Z banzhafs
58	! renamed get_mechanismname to get_mechanism_name
59	! renamed do_emiss to emissions_anthropogenic and do_depo to deposition_dry (ecc)
60	!
61	! 3784 2019-03-05 14:16:20Z banzhafs
62	! Unused variables removed/taken care of
63	!
64	!
65	! 3784 2019-03-05 14:16:20Z forkel
66	! Replaced READ from unit 10 by CALL get_mechanismname also in chem_header
67	!
68	!
69	! 3783 2019-03-05 13:23:50Z forkel
70	! Removed forgotte write statements an some unused variables (did not touch the
71	! parts related to deposition)
72	!
73	!
74	! 3780 2019-03-05 11:19:45Z forkel
75	! Removed READ from unit 10, added CALL get_mechanismname
76	!
77	!
78	! 3767 2019-02-27 08:18:02Z raasch
79	! unused variable for file index removed from rrd-subroutines parameter list
80	!
81	! 3738 2019-02-12 17:00:45Z suehring
82	! Clean-up debug prints
83	!
84	! 3737 2019-02-12 16:57:06Z suehring
85	! Enable mesoscale offline nesting for chemistry variables as well as
86	! initialization of chemistry via dynamic input file.
87	!
88	! 3719 2019-02-06 13:10:18Z kanani
89	! Resolved cpu logpoint overlap with all progn.equations, moved cpu_log call
90	! to prognostic_equations for better overview
91	!
92	! 3700 2019-01-26 17:03:42Z knoop
93	! Some interface calls moved to module_interface + cleanup
94	!
95	! 3664 2019-01-09 14:00:37Z forkel
96	! Replaced misplaced location message by @todo
97	!
98	!
99	! 3654 2019-01-07 16:31:57Z suehring
100	! Disable misplaced location message
101	!
102	! 3652 2019-01-07 15:29:59Z forkel
103	! Checks added for chemistry mechanism, parameter chem_mechanism added (basit)
104	!
105	!
106	! 3646 2018-12-28 17:58:49Z kanani
107	! Bugfix: use time_since_reference_point instead of simulated_time (relevant
108	! when using wall/soil spinup)
109	!
110	! 3643 2018-12-24 13:16:19Z knoop
111	! Bugfix: set found logical correct in chem_data_output_2d
112	!
113	! 3638 2018-12-20 13:18:23Z forkel
114	! Added missing conversion factor fr2ppm for qvap
115	!
116	!
117	! 3637 2018-12-20 01:51:36Z knoop
118	! Implementation of the PALM module interface
119	!
120	! 3636 2018-12-19 13:48:34Z raasch
121	! nopointer option removed
122	!
123	! 3611 2018-12-07 14:14:11Z banzhafs
124	! Minor formatting
125	!
126	! 3600 2018-12-04 13:49:07Z banzhafs
127	! Code update to comply PALM coding rules
128	! Bug fix in par_dir_diff subroutine
129	! Small fixes (corrected 'conastant', added 'Unused')
130	!
131	! 3586 2018-11-30 13:20:29Z dom_dwd_user
132	! Changed character lenth of name in species_def and photols_def to 15
133	!
134	! 3570 2018-11-27 17:44:21Z kanani
135	! resler:
136	! Break lines at 132 characters
137	!
138	! 3543 2018-11-20 17:06:15Z suehring
139	! Remove tabs
140	!
141	! 3542 2018-11-20 17:04:13Z suehring
142	! working precision added to make code Fortran 2008 conform
143	!
144	! 3458 2018-10-30 14:51:23Z kanani
145	! from chemistry branch r3443, banzhafs, basit:
146	! replace surf_lsm_h%qv1(m) by q(k,j,i) for mixing ratio in chem_depo
147	!
148	! bug fix in chem_depo: allow different surface fractions for one
149	! surface element and set lai to zero for non vegetated surfaces
150	! bug fixed in chem_data_output_2d
151	! bug fix in chem_depo subroutine
152	! added code on deposition of gases and particles
153	! removed cs_profile_name from chem_parin
154	! bug fixed in output profiles and code cleaned
155	!
156	! 3449 2018-10-29 19:36:56Z suehring
157	! additional output - merged from branch resler
158	!
159	! 3438 2018-10-28 19:31:42Z pavelkrc
160	! Add terrain-following masked output
161	!
162	! 3373 2018-10-18 15:25:56Z kanani
163	! Remove MPI_Abort, replace by message
164	!
165	! 3318 2018-10-08 11:43:01Z sward
166	! Fixed faulty syntax of message string
167	!
168	! 3298 2018-10-02 12:21:11Z kanani
169	! Add remarks (kanani)
170	! Merge with trunk, replaced cloud_physics by bulk_cloud_model 28.09.2018 forkel
171	! Subroutines header and chem_check_parameters added 25.09.2018 basit
172	! Removed chem_emission routine now declared in chem_emissions.f90 30.07.2018 ERUSSO
173	! Introduced emissions namelist parameters 30.07.2018 ERUSSO
174	!
175	! Timestep steering added in subroutine chem_integrate_ij and
176	! output of chosen solver in chem_parin added 30.07.2018 ketelsen
177	!
178	! chem_check_data_output_pr: added unit for PM compounds 20.07.2018 forkel
179	! replaced : by nzb+1:nzt for pt,q,ql (found by kk) 18.07.2018 forkel
180	! debugged restart run for chem species 06.07.2018 basit
181	! reorganized subroutines in alphabetical order. 27.06.2018 basit
182	! subroutine chem_parin updated for profile output 27.06.2018 basit
183	! Added humidity arrays to USE section and tmp_qvap in chem_integrate 26.6.2018 forkel
184	! Merged chemistry with with trunk (nzb_do and nzt_do in 3d output) 26.6.2018 forkel
185	!
186	! reorganized subroutines in alphabetical order. basit 22.06.2018
187	! subroutine chem_parin updated for profile output basit 22.06.2018
188	! subroutine chem_statistics added
189	! subroutine chem_check_data_output_pr add 21.06.2018 basit
190	! subroutine chem_data_output_mask added 20.05.2018 basit
191	! subroutine chem_data_output_2d added 20.05.2018 basit
192	! subroutine chem_statistics added 04.06.2018 basit
193	! subroutine chem_emissions: Set cssws to zero before setting values 20.03.2018 forkel
194	! subroutine chem_emissions: Introduced different conversion factors
195	! for PM and gaseous compounds 15.03.2018 forkel
196	! subroutine chem_emissions updated to take variable number of chem_spcs and
197	! emission factors. 13.03.2018 basit
198	! chem_boundary_conds_decycle improved. 05.03.2018 basit
199	! chem_boundary_conds_decycle subroutine added 21.02.2018 basit
200	! chem_init_profiles subroutines re-activated after correction 21.02.2018 basit
201	!
202	!
203	! 3293 2018-09-28 12:45:20Z forkel
204	! Modularization of all bulk cloud physics code components
205	!
206	! 3248 2018-09-14 09:42:06Z sward
207	! Minor formating changes
208	!
209	! 3246 2018-09-13 15:14:50Z sward
210	! Added error handling for input namelist via parin_fail_message
211	!
212	! 3241 2018-09-12 15:02:00Z raasch
213	! +nest_chemistry
214	!
215	! 3209 2018-08-27 16:58:37Z suehring
216	! Rename flags indicating outflow boundary conditions
217	!
218	! 3182 2018-07-27 13:36:03Z suehring
219	! Revise output of surface quantities in case of overhanging structures
220	!
221	! 3045 2018-05-28 07:55:41Z Giersch
222	! error messages revised
223	!
224	! 3014 2018-05-09 08:42:38Z maronga
225	! Bugfix: nzb_do and nzt_do were not used for 3d data output
226	!
227	! 3004 2018-04-27 12:33:25Z Giersch
228	! Comment concerning averaged data output added
229	!
230	! 2932 2018-03-26 09:39:22Z maronga
231	! renamed chemistry_par to chemistry_parameters
232	!
233	! 2894 2018-03-15 09:17:58Z Giersch
234	! Calculations of the index range of the subdomain on file which overlaps with
235	! the current subdomain are already done in read_restart_data_mod,
236	! chem_last_actions was renamed to chem_wrd_local, chem_read_restart_data was
237	! renamed to chem_rrd_local, chem_write_var_list was renamed to
238	! chem_wrd_global, chem_read_var_list was renamed to chem_rrd_global,
239	! chem_skip_var_list has been removed, variable named found has been
240	! introduced for checking if restart data was found, reading of restart strings
241	! has been moved completely to read_restart_data_mod, chem_rrd_local is already
242	! inside the overlap loop programmed in read_restart_data_mod, todo list has
243	! bees extended, redundant characters in chem_wrd_local have been removed,
244	! the marker * end chemistry * is not necessary anymore, strings and their
245	! respective lengths are written out and read now in case of restart runs to
246	! get rid of prescribed character lengths
247	!
248	! 2815 2018-02-19 11:29:57Z suehring
249	! Bugfix in restart mechanism,
250	! rename chem_tendency to chem_prognostic_equations,
251	! implement vector-optimized version of chem_prognostic_equations,
252	! some clean up (incl. todo list)
253	!
254	! 2773 2018-01-30 14:12:54Z suehring
255	! Declare variables required for nesting as public
256	!
257	! 2772 2018-01-29 13:10:35Z suehring
258	! Bugfix in string handling
259	!
260	! 2768 2018-01-24 15:38:29Z kanani
261	! Shorten lines to maximum length of 132 characters
262	!
263	! 2766 2018-01-22 17:17:47Z kanani
264	! Removed preprocessor directive __chem
265	!
266	! 2756 2018-01-16 18:11:14Z suehring
267	! Fill values in 3D output introduced.
268	!
269	! 2718 2018-01-02 08:49:38Z maronga
270	! Initial revision
271	!
272	!
273	!
274	!
275	! Authors:
276	! --------
277	! @author Renate Forkel
278	! @author Farah Kanani-Suehring
279	! @author Klaus Ketelsen
280	! @author Basit Khan
281	! @author Sabine Banzhaf
282	!
283	!
284	!------------------------------------------------------------------------------!
285	! Description:
286	! ------------
287	!> Chemistry model for PALM-4U
288	!> @todo Extend chem_species type by nspec and nvar as addititional elements (RF)
289	!> @todo Check possibility to reduce dimension of chem_species%conc from nspec to nvar (RF)
290	!> @todo Adjust chem_rrd_local to CASE structure of others modules. It is not
291	!> allowed to use the chemistry model in a precursor run and additionally
292	!> not using it in a main run
293	!> @todo Implement turbulent inflow of chem spcs in inflow_turbulence.
294	!> @todo Separate boundary conditions for each chem spcs to be implemented
295	!> @todo Currently only total concentration are calculated. Resolved, parameterized
296	!> and chemistry fluxes although partially and some completely coded but
297	!> are not operational/activated in this version. bK.
298	!> @todo slight differences in passive scalar and chem spcs when chem reactions
299	!> turned off. Need to be fixed. bK
300	!> @todo test nesting for chem spcs, was implemented by suehring (kanani)
301	!> @todo chemistry error messages
302	!
303	!------------------------------------------------------------------------------!
304
305	MODULE chemistry_model_mod
306
307	USE advec_s_pw_mod, &
308	ONLY: advec_s_pw
309
310	USE advec_s_up_mod, &
311	ONLY: advec_s_up
312
313	USE advec_ws, &
314	ONLY: advec_s_ws
315
316	USE diffusion_s_mod, &
317	ONLY: diffusion_s
318
319	USE kinds, &
320	ONLY: iwp, wp
321
322	USE indices, &
323	ONLY: nbgp, nx, nxl, nxlg, nxr, nxrg, ny, nyn, nyng, nys, nysg, nz, nzb, nzt, wall_flags_0
324
325	USE pegrid, &
326	ONLY: myid, threads_per_task
327
328	USE bulk_cloud_model_mod, &
329	ONLY: bulk_cloud_model
330
331	USE control_parameters, &
332	ONLY: bc_lr_cyc, bc_ns_cyc, &
333	debug_output, &
334	dt_3d, humidity, initializing_actions, message_string, &
335	omega, tsc, intermediate_timestep_count, intermediate_timestep_count_max, &
336	max_pr_user, timestep_scheme, use_prescribed_profile_data, ws_scheme_sca, air_chemistry
337
338	USE arrays_3d, &
339	ONLY: exner, hyp, pt, q, ql, rdf_sc, tend, zu
340
341	USE chem_gasphase_mod, &
342	ONLY: atol, chem_gasphase_integrate, cs_mech, get_mechanism_name, nkppctrl, &
343	nmaxfixsteps, nphot, nreact, nspec, nvar, phot_names, rtol, spc_names, t_steps, vl_dim
344
345	USE chem_modules
346
347	USE chem_photolysis_mod, &
348	ONLY: photolysis_control
349
350	USE cpulog, &
351	ONLY: cpu_log, log_point_s
352
353	USE statistics
354
355	USE surface_mod, &
356	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
357
358	IMPLICIT NONE
359
360	PRIVATE
361	SAVE
362
363	LOGICAL :: nest_chemistry = .TRUE. !< flag for nesting mode of chemical species, independent on parent or not
364
365	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_1 !< pointer for swapping of timelevels for conc
366	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_2 !< pointer for swapping of timelevels for conc
367	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_3 !< pointer for swapping of timelevels for conc
368	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_av !< averaged concentrations of chemical species
369	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: freq_1 !< pointer for phtolysis frequncies
370	!< (only 1 timelevel required)
371	INTEGER, DIMENSION(nkppctrl) :: icntrl !< 20 integer parameters for fine tuning KPP code
372	!< (e.g. solver type)
373	REAL(kind=wp), DIMENSION(nkppctrl) :: rcntrl !< 20 real parameters for fine tuning of KPP code
374	!< (e.g starting internal timestep of solver)
375	!
376	!-- Decycling of chemistry variables: Dirichlet BCs with cyclic is frequently not
377	!-- approproate for chemicals compounds since they may accumulate too much.
378	!-- If no proper boundary conditions from a DYNAMIC input file are available,
379	!-- de-cycling applies the initial profiles at the inflow boundaries for
380	!-- Dirichlet boundary conditions
381	LOGICAL :: decycle_chem_lr = .FALSE. !< switch for setting decycling in left-right direction
382	LOGICAL :: decycle_chem_ns = .FALSE. !< switch for setting decycling in south-norht direction
383	CHARACTER (LEN=20), DIMENSION(4) :: decycle_method = &
384	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
385	!< Decycling method at horizontal boundaries,
386	!< 1=left, 2=right, 3=south, 4=north
387	!< dirichlet = initial size distribution and
388	!< chemical composition set for the ghost and
389	!< first three layers
390	!< neumann = zero gradient
391
392	REAL(kind=wp), PUBLIC :: cs_time_step = 0._wp
393
394	!
395	!-- Parameter needed for Deposition calculation using DEPAC model (van Zanten et al., 2010)
396	!
397	INTEGER(iwp), PARAMETER :: nlu_dep = 15 !< Number of DEPAC landuse classes (lu's)
398	INTEGER(iwp), PARAMETER :: ncmp = 10 !< Number of DEPAC gas components
399	INTEGER(iwp), PARAMETER :: nposp = 69 !< Number of possible species for deposition
400	!
401	!-- DEPAC landuse classes as defined in LOTOS-EUROS model v2.1
402	INTEGER(iwp) :: ilu_grass = 1
403	INTEGER(iwp) :: ilu_arable = 2
404	INTEGER(iwp) :: ilu_permanent_crops = 3
405	INTEGER(iwp) :: ilu_coniferous_forest = 4
406	INTEGER(iwp) :: ilu_deciduous_forest = 5
407	INTEGER(iwp) :: ilu_water_sea = 6
408	INTEGER(iwp) :: ilu_urban = 7
409	INTEGER(iwp) :: ilu_other = 8
410	INTEGER(iwp) :: ilu_desert = 9
411	INTEGER(iwp) :: ilu_ice = 10
412	INTEGER(iwp) :: ilu_savanna = 11
413	INTEGER(iwp) :: ilu_tropical_forest = 12
414	INTEGER(iwp) :: ilu_water_inland = 13
415	INTEGER(iwp) :: ilu_mediterrean_scrub = 14
416	INTEGER(iwp) :: ilu_semi_natural_veg = 15
417
418	!
419	!-- NH3/SO2 ratio regimes:
420	INTEGER(iwp), PARAMETER :: iratns_low = 1 !< low ratio NH3/SO2
421	INTEGER(iwp), PARAMETER :: iratns_high = 2 !< high ratio NH3/SO2
422	INTEGER(iwp), PARAMETER :: iratns_very_low = 3 !< very low ratio NH3/SO2
423	!
424	!-- Default:
425	INTEGER, PARAMETER :: iratns_default = iratns_low
426	!
427	!-- Set alpha for f_light (4.57 is conversion factor from 1./(mumol m-2 s-1) to W m-2
428	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: alpha =(/ 0.009, 0.009, 0.009, 0.006, 0.006, -999., -999., 0.009, -999., &
429	-999., 0.009, 0.006, -999., 0.009, 0.008/)*4.57
430	!
431	!-- Set temperatures per land use for f_temp
432	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: tmin = (/ 12.0, 12.0, 12.0, 0.0, 0.0, -999., -999., 12.0, -999., -999., &
433	12.0, 0.0, -999., 12.0, 8.0/)
434	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: topt = (/ 26.0, 26.0, 26.0, 18.0, 20.0, -999., -999., 26.0, -999., -999., &
435	26.0, 20.0, -999., 26.0, 24.0 /)
436	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: tmax = (/ 40.0, 40.0, 40.0, 36.0, 35.0, -999., -999., 40.0, -999., -999., &
437	40.0, 35.0, -999., 40.0, 39.0 /)
438	!
439	!-- Set f_min:
440	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: f_min = (/ 0.01, 0.01, 0.01, 0.1, 0.1, -999., -999., 0.01, -999., -999., 0.01, &
441	0.1, -999., 0.01, 0.04/)
442
443	!
444	!-- Set maximal conductance (m/s)
445	!-- (R T/P) = 1/41000 mmol/m3 is given for 20 deg C to go from mmol O3/m2/s to m/s
446	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: g_max = (/ 270., 300., 300., 140., 150., -999., -999., 270., -999., -999., &
447	270., 150., -999., 300., 422./)/41000.
448	!
449	!-- Set max, min for vapour pressure deficit vpd
450	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: vpd_max = (/1.3, 0.9, 0.9, 0.5, 1.0, -999., -999., 1.3, -999., -999., 1.3, &
451	1.0, -999., 0.9, 2.8/)
452	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: vpd_min = (/3.0, 2.8, 2.8, 3.0, 3.25, -999., -999., 3.0, -999., -999., 3.0, &
453	3.25, -999., 2.8, 4.5/)
454
455	PUBLIC nest_chemistry
456	PUBLIC nreact
457	PUBLIC nspec !< number of gas phase chemical species including constant compound (e.g. N2)
458	PUBLIC nvar !< number of variable gas phase chemical species (nvar <= nspec)
459	PUBLIC spc_names !< names of gas phase chemical species (come from KPP) (come from KPP)
460	PUBLIC spec_conc_2
461	!
462	!-- Interface section
463	INTERFACE chem_3d_data_averaging
464	MODULE PROCEDURE chem_3d_data_averaging
465	END INTERFACE chem_3d_data_averaging
466
467	INTERFACE chem_boundary_conds
468	MODULE PROCEDURE chem_boundary_conds
469	MODULE PROCEDURE chem_boundary_conds_decycle
470	END INTERFACE chem_boundary_conds
471
472	INTERFACE chem_check_data_output
473	MODULE PROCEDURE chem_check_data_output
474	END INTERFACE chem_check_data_output
475
476	INTERFACE chem_data_output_2d
477	MODULE PROCEDURE chem_data_output_2d
478	END INTERFACE chem_data_output_2d
479
480	INTERFACE chem_data_output_3d
481	MODULE PROCEDURE chem_data_output_3d
482	END INTERFACE chem_data_output_3d
483
484	INTERFACE chem_data_output_mask
485	MODULE PROCEDURE chem_data_output_mask
486	END INTERFACE chem_data_output_mask
487
488	INTERFACE chem_check_data_output_pr
489	MODULE PROCEDURE chem_check_data_output_pr
490	END INTERFACE chem_check_data_output_pr
491
492	INTERFACE chem_check_parameters
493	MODULE PROCEDURE chem_check_parameters
494	END INTERFACE chem_check_parameters
495
496	INTERFACE chem_define_netcdf_grid
497	MODULE PROCEDURE chem_define_netcdf_grid
498	END INTERFACE chem_define_netcdf_grid
499
500	INTERFACE chem_header
501	MODULE PROCEDURE chem_header
502	END INTERFACE chem_header
503
504	INTERFACE chem_init_arrays
505	MODULE PROCEDURE chem_init_arrays
506	END INTERFACE chem_init_arrays
507
508	INTERFACE chem_init
509	MODULE PROCEDURE chem_init
510	END INTERFACE chem_init
511
512	INTERFACE chem_init_profiles
513	MODULE PROCEDURE chem_init_profiles
514	END INTERFACE chem_init_profiles
515
516	INTERFACE chem_integrate
517	MODULE PROCEDURE chem_integrate_ij
518	END INTERFACE chem_integrate
519
520	INTERFACE chem_parin
521	MODULE PROCEDURE chem_parin
522	END INTERFACE chem_parin
523
524	INTERFACE chem_actions
525	MODULE PROCEDURE chem_actions
526	MODULE PROCEDURE chem_actions_ij
527	END INTERFACE chem_actions
528
529	INTERFACE chem_non_advective_processes
530	MODULE PROCEDURE chem_non_advective_processes
531	MODULE PROCEDURE chem_non_advective_processes_ij
532	END INTERFACE chem_non_advective_processes
533
534	INTERFACE chem_exchange_horiz_bounds
535	MODULE PROCEDURE chem_exchange_horiz_bounds
536	END INTERFACE chem_exchange_horiz_bounds
537
538	INTERFACE chem_prognostic_equations
539	MODULE PROCEDURE chem_prognostic_equations
540	MODULE PROCEDURE chem_prognostic_equations_ij
541	END INTERFACE chem_prognostic_equations
542
543	INTERFACE chem_rrd_local
544	MODULE PROCEDURE chem_rrd_local
545	END INTERFACE chem_rrd_local
546
547	INTERFACE chem_statistics
548	MODULE PROCEDURE chem_statistics
549	END INTERFACE chem_statistics
550
551	INTERFACE chem_swap_timelevel
552	MODULE PROCEDURE chem_swap_timelevel
553	END INTERFACE chem_swap_timelevel
554
555	INTERFACE chem_wrd_local
556	MODULE PROCEDURE chem_wrd_local
557	END INTERFACE chem_wrd_local
558
559	INTERFACE chem_depo
560	MODULE PROCEDURE chem_depo
561	END INTERFACE chem_depo
562
563	INTERFACE drydepos_gas_depac
564	MODULE PROCEDURE drydepos_gas_depac
565	END INTERFACE drydepos_gas_depac
566
567	INTERFACE rc_special
568	MODULE PROCEDURE rc_special
569	END INTERFACE rc_special
570
571	INTERFACE rc_gw
572	MODULE PROCEDURE rc_gw
573	END INTERFACE rc_gw
574
575	INTERFACE rw_so2
576	MODULE PROCEDURE rw_so2
577	END INTERFACE rw_so2
578
579	INTERFACE rw_nh3_sutton
580	MODULE PROCEDURE rw_nh3_sutton
581	END INTERFACE rw_nh3_sutton
582
583	INTERFACE rw_constant
584	MODULE PROCEDURE rw_constant
585	END INTERFACE rw_constant
586
587	INTERFACE rc_gstom
588	MODULE PROCEDURE rc_gstom
589	END INTERFACE rc_gstom
590
591	INTERFACE rc_gstom_emb
592	MODULE PROCEDURE rc_gstom_emb
593	END INTERFACE rc_gstom_emb
594
595	INTERFACE par_dir_diff
596	MODULE PROCEDURE par_dir_diff
597	END INTERFACE par_dir_diff
598
599	INTERFACE rc_get_vpd
600	MODULE PROCEDURE rc_get_vpd
601	END INTERFACE rc_get_vpd
602
603	INTERFACE rc_gsoil_eff
604	MODULE PROCEDURE rc_gsoil_eff
605	END INTERFACE rc_gsoil_eff
606
607	INTERFACE rc_rinc
608	MODULE PROCEDURE rc_rinc
609	END INTERFACE rc_rinc
610
611	INTERFACE rc_rctot
612	MODULE PROCEDURE rc_rctot
613	END INTERFACE rc_rctot
614
615	! INTERFACE rc_comp_point_rc_eff
616	! MODULE PROCEDURE rc_comp_point_rc_eff
617	! END INTERFACE rc_comp_point_rc_eff
618
619	INTERFACE drydepo_aero_zhang_vd
620	MODULE PROCEDURE drydepo_aero_zhang_vd
621	END INTERFACE drydepo_aero_zhang_vd
622
623	INTERFACE get_rb_cell
624	MODULE PROCEDURE get_rb_cell
625	END INTERFACE get_rb_cell
626
627
628
629	PUBLIC chem_3d_data_averaging, chem_boundary_conds, &
630	chem_boundary_conds_decycle, chem_check_data_output, &
631	chem_check_data_output_pr, chem_check_parameters, &
632	chem_data_output_2d, chem_data_output_3d, chem_data_output_mask, &
633	chem_define_netcdf_grid, chem_header, chem_init, chem_init_arrays, &
634	chem_init_profiles, chem_integrate, chem_parin, &
635	chem_actions, chem_prognostic_equations, chem_rrd_local, &
636	chem_statistics, chem_swap_timelevel, chem_wrd_local, chem_depo, &
637	chem_non_advective_processes, chem_exchange_horiz_bounds
638
639	CONTAINS
640
641
642	!------------------------------------------------------------------------------!
643	! Description:
644	! ------------
645	!> Subroutine for averaging 3D data of chemical species. Due to the fact that
646	!> the averaged chem arrays are allocated in chem_init, no if-query concerning
647	!> the allocation is required (in any mode). Attention: If you just specify an
648	!> averaged output quantity in the _p3dr file during restarts the first output
649	!> includes the time between the beginning of the restart run and the first
650	!> output time (not necessarily the whole averaging_interval you have
651	!> specified in your _p3d/_p3dr file )
652	!------------------------------------------------------------------------------!
653	SUBROUTINE chem_3d_data_averaging( mode, variable )
654
655
656	USE control_parameters
657
658	CHARACTER (LEN=*) :: mode !<
659	CHARACTER (LEN=*) :: variable !<
660
661	LOGICAL :: match_def !< flag indicating default-type surface
662	LOGICAL :: match_lsm !< flag indicating natural-type surface
663	LOGICAL :: match_usm !< flag indicating urban-type surface
664
665	INTEGER(iwp) :: i !< grid index x direction
666	INTEGER(iwp) :: j !< grid index y direction
667	INTEGER(iwp) :: k !< grid index z direction
668	INTEGER(iwp) :: m !< running index surface type
669	INTEGER(iwp) :: lsp !< running index for chem spcs
670
671	IF ( (variable(1:3) == 'kc_' .OR. variable(1:3) == 'em_') ) THEN
672
673	IF ( mode == 'allocate' ) THEN
674
675	DO lsp = 1, nspec
676	IF ( TRIM( variable(1:3) ) == 'kc_' .AND. &
677	TRIM( variable(4:) ) == TRIM( chem_species(lsp)%name ) ) THEN
678	chem_species(lsp)%conc_av = 0.0_wp
679	ENDIF
680	ENDDO
681
682	ELSEIF ( mode == 'sum' ) THEN
683
684	DO lsp = 1, nspec
685	IF ( TRIM( variable(1:3) ) == 'kc_' .AND. &
686	TRIM( variable(4:) ) == TRIM( chem_species(lsp)%name ) ) THEN
687	DO i = nxlg, nxrg
688	DO j = nysg, nyng
689	DO k = nzb, nzt+1
690	chem_species(lsp)%conc_av(k,j,i) = &
691	chem_species(lsp)%conc_av(k,j,i) + &
692	chem_species(lsp)%conc(k,j,i)
693	ENDDO
694	ENDDO
695	ENDDO
696	ELSEIF ( TRIM( variable(4:) ) == TRIM( 'cssws*' ) ) THEN
697	DO i = nxl, nxr
698	DO j = nys, nyn
699	match_def = surf_def_h(0)%start_index(j,i) <= &
700	surf_def_h(0)%end_index(j,i)
701	match_lsm = surf_lsm_h%start_index(j,i) <= &
702	surf_lsm_h%end_index(j,i)
703	match_usm = surf_usm_h%start_index(j,i) <= &
704	surf_usm_h%end_index(j,i)
705
706	IF ( match_def ) THEN
707	m = surf_def_h(0)%end_index(j,i)
708	chem_species(lsp)%cssws_av(j,i) = &
709	chem_species(lsp)%cssws_av(j,i) + &
710	surf_def_h(0)%cssws(lsp,m)
711	ELSEIF ( match_lsm .AND. .NOT. match_usm ) THEN
712	m = surf_lsm_h%end_index(j,i)
713	chem_species(lsp)%cssws_av(j,i) = &
714	chem_species(lsp)%cssws_av(j,i) + &
715	surf_lsm_h%cssws(lsp,m)
716	ELSEIF ( match_usm ) THEN
717	m = surf_usm_h%end_index(j,i)
718	chem_species(lsp)%cssws_av(j,i) = &
719	chem_species(lsp)%cssws_av(j,i) + &
720	surf_usm_h%cssws(lsp,m)
721	ENDIF
722	ENDDO
723	ENDDO
724	ENDIF
725	ENDDO
726
727	ELSEIF ( mode == 'average' ) THEN
728
729	DO lsp = 1, nspec
730	IF ( TRIM( variable(1:3) ) == 'kc_' .AND. &
731	TRIM( variable(4:) ) == TRIM( chem_species(lsp)%name ) ) THEN
732	DO i = nxlg, nxrg
733	DO j = nysg, nyng
734	DO k = nzb, nzt+1
735	chem_species(lsp)%conc_av(k,j,i) = &
736	chem_species(lsp)%conc_av(k,j,i) / &
737	REAL( average_count_3d, KIND=wp )
738	ENDDO
739	ENDDO
740	ENDDO
741
742	ELSEIF ( TRIM( variable(4:) ) == TRIM( 'cssws*' ) ) THEN
743	DO i = nxlg, nxrg
744	DO j = nysg, nyng
745	chem_species(lsp)%cssws_av(j,i) = &
746	chem_species(lsp)%cssws_av(j,i) / REAL( average_count_3d, KIND=wp )
747	ENDDO
748	ENDDO
749	CALL exchange_horiz_2d( chem_species(lsp)%cssws_av, nbgp )
750	ENDIF
751	ENDDO
752	ENDIF
753
754	ENDIF
755
756	END SUBROUTINE chem_3d_data_averaging
757
758
759	!------------------------------------------------------------------------------!
760	! Description:
761	! ------------
762	!> Subroutine to initialize and set all boundary conditions for chemical species
763	!------------------------------------------------------------------------------!
764	SUBROUTINE chem_boundary_conds( mode )
765
766	USE control_parameters, &
767	ONLY: bc_radiation_l, bc_radiation_n, bc_radiation_r, bc_radiation_s
768
769	USE arrays_3d, &
770	ONLY: dzu
771
772	USE surface_mod, &
773	ONLY: bc_h
774
775	CHARACTER (LEN=*), INTENT(IN) :: mode
776	INTEGER(iwp) :: i !< grid index x direction.
777	INTEGER(iwp) :: j !< grid index y direction.
778	INTEGER(iwp) :: k !< grid index z direction.
779	INTEGER(iwp) :: kb !< variable to set respective boundary value, depends on facing.
780	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls.
781	INTEGER(iwp) :: m !< running index surface elements.
782	INTEGER(iwp) :: lsp !< running index for chem spcs.
783
784
785	SELECT CASE ( TRIM( mode ) )
786	CASE ( 'init' )
787
788	IF ( bc_cs_b == 'dirichlet' ) THEN
789	ibc_cs_b = 0
790	ELSEIF ( bc_cs_b == 'neumann' ) THEN
791	ibc_cs_b = 1
792	ELSE
793	message_string = 'unknown boundary condition: bc_cs_b ="' // TRIM( bc_cs_b ) // '"'
794	CALL message( 'chem_boundary_conds', 'CM0429', 1, 2, 0, 6, 0 )
795	ENDIF
796	!
797	!-- Set Integer flags and check for possible erroneous settings for top
798	!-- boundary condition.
799	IF ( bc_cs_t == 'dirichlet' ) THEN
800	ibc_cs_t = 0
801	ELSEIF ( bc_cs_t == 'neumann' ) THEN
802	ibc_cs_t = 1
803	ELSEIF ( bc_cs_t == 'initial_gradient' ) THEN
804	ibc_cs_t = 2
805	ELSEIF ( bc_cs_t == 'nested' ) THEN
806	ibc_cs_t = 3
807	ELSE
808	message_string = 'unknown boundary condition: bc_c_t ="' // TRIM( bc_cs_t ) // '"'
809	CALL message( 'check_parameters', 'CM0430', 1, 2, 0, 6, 0 )
810	ENDIF
811
812	CASE ( 'set_bc_bottomtop' )
813	!
814	!-- Bottom boundary condtions for chemical species
815	DO lsp = 1, nspec
816	IF ( ibc_cs_b == 0 ) THEN
817	DO l = 0, 1
818	!
819	!-- Set index kb: For upward-facing surfaces (l=0), kb=-1, i.e.
820	!-- the chem_species(nspec)%conc_p value at the topography top (k-1)
821	!-- is set; for downward-facing surfaces (l=1), kb=1, i.e. the
822	!-- value at the topography bottom (k+1) is set.
823
824	kb = MERGE( -1, 1, l == 0 )
825	!$OMP PARALLEL DO PRIVATE( i, j, k )
826	DO m = 1, bc_h(l)%ns
827	i = bc_h(l)%i(m)
828	j = bc_h(l)%j(m)
829	k = bc_h(l)%k(m)
830	chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc(k+kb,j,i)
831	ENDDO
832	ENDDO
833
834	ELSEIF ( ibc_cs_b == 1 ) THEN
835	!
836	!-- in boundary_conds there is som extra loop over m here for passive tracer
837	DO l = 0, 1
838	kb = MERGE( -1, 1, l == 0 )
839	!$OMP PARALLEL DO PRIVATE( i, j, k )
840	DO m = 1, bc_h(l)%ns
841	i = bc_h(l)%i(m)
842	j = bc_h(l)%j(m)
843	k = bc_h(l)%k(m)
844	chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc_p(k,j,i)
845
846	ENDDO
847	ENDDO
848	ENDIF
849	ENDDO ! end lsp loop
850	!
851	!-- Top boundary conditions for chemical species - Should this not be done for all species?
852	IF ( ibc_cs_t == 0 ) THEN
853	DO lsp = 1, nspec
854	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc(nzt+1,:,:)
855	ENDDO
856	ELSEIF ( ibc_cs_t == 1 ) THEN
857	DO lsp = 1, nspec
858	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:)
859	ENDDO
860	ELSEIF ( ibc_cs_t == 2 ) THEN
861	DO lsp = 1, nspec
862	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:) + bc_cs_t_val(lsp) * dzu(nzt+1)
863	ENDDO
864	ENDIF
865
866	CASE ( 'set_bc_lateral' )
867	!
868	!-- Lateral boundary conditions for chem species at inflow boundary
869	!-- are automatically set when chem_species concentration is
870	!-- initialized. The initially set value at the inflow boundary is not
871	!-- touched during time integration, hence, this boundary value remains
872	!-- at a constant value, which is the concentration that flows into the
873	!-- domain.
874	!-- Lateral boundary conditions for chem species at outflow boundary
875
876	IF ( bc_radiation_s ) THEN
877	DO lsp = 1, nspec
878	chem_species(lsp)%conc_p(:,nys-1,:) = chem_species(lsp)%conc_p(:,nys,:)
879	ENDDO
880	ELSEIF ( bc_radiation_n ) THEN
881	DO lsp = 1, nspec
882	chem_species(lsp)%conc_p(:,nyn+1,:) = chem_species(lsp)%conc_p(:,nyn,:)
883	ENDDO
884	ELSEIF ( bc_radiation_l ) THEN
885	DO lsp = 1, nspec
886	chem_species(lsp)%conc_p(:,:,nxl-1) = chem_species(lsp)%conc_p(:,:,nxl)
887	ENDDO
888	ELSEIF ( bc_radiation_r ) THEN
889	DO lsp = 1, nspec
890	chem_species(lsp)%conc_p(:,:,nxr+1) = chem_species(lsp)%conc_p(:,:,nxr)
891	ENDDO
892	ENDIF
893
894	END SELECT
895
896	END SUBROUTINE chem_boundary_conds
897
898
899	!------------------------------------------------------------------------------!
900	! Description:
901	! ------------
902	!> Boundary conditions for prognostic variables in chemistry: decycling in the
903	!> x-direction-
904	!> Decycling of chemistry variables: Dirichlet BCs with cyclic is frequently not
905	!> approproate for chemicals compounds since they may accumulate too much.
906	!> If no proper boundary conditions from a DYNAMIC input file are available,
907	!> de-cycling applies the initial profiles at the inflow boundaries for
908	!> Dirichlet boundary conditions
909	!------------------------------------------------------------------------------!
910	SUBROUTINE chem_boundary_conds_decycle( cs_3d, cs_pr_init )
911
912
913	INTEGER(iwp) :: boundary !<
914	INTEGER(iwp) :: ee !<
915	INTEGER(iwp) :: copied !<
916	INTEGER(iwp) :: i !<
917	INTEGER(iwp) :: j !<
918	INTEGER(iwp) :: k !<
919	INTEGER(iwp) :: ss !<
920
921	REAL(wp), DIMENSION(nzb:nzt+1) :: cs_pr_init
922	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: cs_3d
923	REAL(wp) :: flag !< flag to mask topography grid points
924
925
926	flag = 0.0_wp
927	!
928	!-- Left and right boundaries
929	IF ( decycle_chem_lr .AND. bc_lr_cyc ) THEN
930
931	DO boundary = 1, 2
932
933	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
934	!
935	!-- Initial profile is copied to ghost and first three layers
936	ss = 1
937	ee = 0
938	IF ( boundary == 1 .AND. nxl == 0 ) THEN
939	ss = nxlg
940	ee = nxl+2
941	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
942	ss = nxr-2
943	ee = nxrg
944	ENDIF
945
946	DO i = ss, ee
947	DO j = nysg, nyng
948	DO k = nzb+1, nzt
949	flag = MERGE( 1.0_wp, 0.0_wp, &
950	BTEST( wall_flags_0(k,j,i), 0 ) )
951	cs_3d(k,j,i) = cs_pr_init(k) * flag
952	ENDDO
953	ENDDO
954	ENDDO
955
956	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
957	!
958	!-- The value at the boundary is copied to the ghost layers to simulate
959	!-- an outlet with zero gradient
960	ss = 1
961	ee = 0
962	IF ( boundary == 1 .AND. nxl == 0 ) THEN
963	ss = nxlg
964	ee = nxl-1
965	copied = nxl
966	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
967	ss = nxr+1
968	ee = nxrg
969	copied = nxr
970	ENDIF
971
972	DO i = ss, ee
973	DO j = nysg, nyng
974	DO k = nzb+1, nzt
975	flag = MERGE( 1.0_wp, 0.0_wp, &
976	BTEST( wall_flags_0(k,j,i), 0 ) )
977	cs_3d(k,j,i) = cs_3d(k,j,copied) * flag
978	ENDDO
979	ENDDO
980	ENDDO
981
982	ELSE
983	WRITE(message_string,*) &
984	'unknown decycling method: decycle_method (', &
985	boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"'
986	CALL message( 'chem_boundary_conds_decycle', 'CM0431', &
987	1, 2, 0, 6, 0 )
988	ENDIF
989	ENDDO
990	ENDIF
991	!
992	!-- South and north boundaries
993	IF ( decycle_chem_ns .AND. bc_ns_cyc ) THEN
994
995	DO boundary = 3, 4
996
997	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
998	!
999	!-- Initial profile is copied to ghost and first three layers
1000	ss = 1
1001	ee = 0
1002	IF ( boundary == 3 .AND. nys == 0 ) THEN
1003	ss = nysg
1004	ee = nys+2
1005	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
1006	ss = nyn-2
1007	ee = nyng
1008	ENDIF
1009
1010	DO i = nxlg, nxrg
1011	DO j = ss, ee
1012	DO k = nzb+1, nzt
1013	flag = MERGE( 1.0_wp, 0.0_wp, &
1014	BTEST( wall_flags_0(k,j,i), 0 ) )
1015	cs_3d(k,j,i) = cs_pr_init(k) * flag
1016	ENDDO
1017	ENDDO
1018	ENDDO
1019
1020
1021	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
1022	!
1023	!-- The value at the boundary is copied to the ghost layers to simulate
1024	!-- an outlet with zero gradient
1025	ss = 1
1026	ee = 0
1027	IF ( boundary == 3 .AND. nys == 0 ) THEN
1028	ss = nysg
1029	ee = nys-1
1030	copied = nys
1031	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
1032	ss = nyn+1
1033	ee = nyng
1034	copied = nyn
1035	ENDIF
1036
1037	DO i = nxlg, nxrg
1038	DO j = ss, ee
1039	DO k = nzb+1, nzt
1040	flag = MERGE( 1.0_wp, 0.0_wp, &
1041	BTEST( wall_flags_0(k,j,i), 0 ) )
1042	cs_3d(k,j,i) = cs_3d(k,copied,i) * flag
1043	ENDDO
1044	ENDDO
1045	ENDDO
1046
1047	ELSE
1048	WRITE(message_string,*) &
1049	'unknown decycling method: decycle_method (', &
1050	boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"'
1051	CALL message( 'chem_boundary_conds_decycle', 'CM0432', &
1052	1, 2, 0, 6, 0 )
1053	ENDIF
1054	ENDDO
1055	ENDIF
1056
1057
1058	END SUBROUTINE chem_boundary_conds_decycle
1059
1060
1061	!------------------------------------------------------------------------------!
1062	! Description:
1063	! ------------
1064	!> Subroutine for checking data output for chemical species
1065	!------------------------------------------------------------------------------!
1066	SUBROUTINE chem_check_data_output( var, unit, i, ilen, k )
1067
1068
1069	CHARACTER (LEN=*) :: unit !<
1070	CHARACTER (LEN=*) :: var !<
1071
1072	INTEGER(iwp) :: i
1073	INTEGER(iwp) :: lsp
1074	INTEGER(iwp) :: ilen
1075	INTEGER(iwp) :: k
1076
1077	CHARACTER(LEN=16) :: spec_name
1078
1079	!
1080	!-- Next statement is to avoid compiler warnings about unused variables
1081	IF ( ( i + ilen + k ) > 0 .OR. var(1:1) == ' ' ) CONTINUE
1082
1083	unit = 'illegal'
1084
1085	spec_name = TRIM( var(4:) ) !< var 1:3 is 'kc_' or 'em_'.
1086
1087	IF ( TRIM( var(1:3) ) == 'em_' ) THEN
1088	DO lsp=1,nspec
1089	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) ) THEN
1090	unit = 'mol m-2 s-1'
1091	ENDIF
1092	!
1093	!-- It is possible to plant PM10 and PM25 into the gasphase chemistry code
1094	!-- as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms):
1095	!-- set unit to micrograms per m**3 for PM10 and PM25 (PM2.5)
1096	IF (spec_name(1:2) == 'PM') THEN
1097	unit = 'kg m-2 s-1'
1098	ENDIF
1099	ENDDO
1100
1101	ELSE
1102
1103	DO lsp=1,nspec
1104	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) ) THEN
1105	unit = 'ppm'
1106	ENDIF
1107	!
1108	!-- It is possible to plant PM10 and PM25 into the gasphase chemistry code
1109	!-- as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms):
1110	!-- set unit to kilograms per m**3 for PM10 and PM25 (PM2.5)
1111	IF (spec_name(1:2) == 'PM') THEN
1112	unit = 'kg m-3'
1113	ENDIF
1114	ENDDO
1115
1116	DO lsp=1,nphot
1117	IF (TRIM( spec_name ) == TRIM( phot_frequen(lsp)%name ) ) THEN
1118	unit = 'sec-1'
1119	ENDIF
1120	ENDDO
1121	ENDIF
1122
1123
1124	RETURN
1125	END SUBROUTINE chem_check_data_output
1126
1127
1128	!------------------------------------------------------------------------------!
1129	! Description:
1130	! ------------
1131	!> Subroutine for checking data output of profiles for chemistry model
1132	!------------------------------------------------------------------------------!
1133	SUBROUTINE chem_check_data_output_pr( variable, var_count, unit, dopr_unit )
1134
1135	USE arrays_3d
1136
1137	USE control_parameters, &
1138	ONLY: data_output_pr, message_string
1139
1140	USE profil_parameter
1141
1142	USE statistics
1143
1144
1145	CHARACTER (LEN=*) :: unit !<
1146	CHARACTER (LEN=*) :: variable !<
1147	CHARACTER (LEN=*) :: dopr_unit
1148	CHARACTER (LEN=16) :: spec_name
1149
1150	INTEGER(iwp) :: var_count, lsp !<
1151
1152
1153	spec_name = TRIM( variable(4:) )
1154
1155	IF ( .NOT. air_chemistry ) THEN
1156	message_string = 'data_output_pr = ' // &
1157	TRIM( data_output_pr(var_count) ) // ' is not imp' // &
1158	'lemented for air_chemistry = .FALSE.'
1159	CALL message( 'chem_check_parameters', 'CM0433', 1, 2, 0, 6, 0 )
1160
1161	ELSE
1162	DO lsp = 1, nspec
1163	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) ) THEN
1164	cs_pr_count = cs_pr_count+1
1165	cs_pr_index(cs_pr_count) = lsp
1166	dopr_index(var_count) = pr_palm+cs_pr_count
1167	dopr_unit = 'ppm'
1168	IF (spec_name(1:2) == 'PM') THEN
1169	dopr_unit = 'kg m-3'
1170	ENDIF
1171	hom(:,2, dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
1172	unit = dopr_unit
1173	ENDIF
1174	ENDDO
1175	ENDIF
1176
1177	END SUBROUTINE chem_check_data_output_pr
1178
1179
1180	!------------------------------------------------------------------------------!
1181	! Description:
1182	! ------------
1183	!> Check parameters routine for chemistry_model_mod
1184	!------------------------------------------------------------------------------!
1185	SUBROUTINE chem_check_parameters
1186
1187
1188	LOGICAL :: found
1189	INTEGER (iwp) :: lsp_usr !< running index for user defined chem spcs
1190	INTEGER (iwp) :: lsp !< running index for chem spcs.
1191	!
1192	!-- check for chemical reactions status
1193	IF ( chem_gasphase_on ) THEN
1194	message_string = 'Chemical reactions: ON'
1195	CALL message( 'chem_check_parameters', 'CM0421', 0, 0, 0, 6, 0 )
1196	ELSEIF ( .NOT. (chem_gasphase_on) ) THEN
1197	message_string = 'Chemical reactions: OFF'
1198	CALL message( 'chem_check_parameters', 'CM0422', 0, 0, 0, 6, 0 )
1199	ENDIF
1200	!
1201	!-- check for chemistry time-step
1202	IF ( call_chem_at_all_substeps ) THEN
1203	message_string = 'Chemistry is calculated at all meteorology time-step'
1204	CALL message( 'chem_check_parameters', 'CM0423', 0, 0, 0, 6, 0 )
1205	ELSEIF ( .not. (call_chem_at_all_substeps) ) THEN
1206	message_string = 'Sub-time-steps are skipped for chemistry time-steps'
1207	CALL message( 'chem_check_parameters', 'CM0424', 0, 0, 0, 6, 0 )
1208	ENDIF
1209	!
1210	!-- check for photolysis scheme
1211	IF ( (photolysis_scheme /= 'simple') .AND. (photolysis_scheme /= 'constant') ) THEN
1212	message_string = 'Incorrect photolysis scheme selected, please check spelling'
1213	CALL message( 'chem_check_parameters', 'CM0425', 1, 2, 0, 6, 0 )
1214	ENDIF
1215	!
1216	!-- check for decycling of chem species
1217	IF ( (.NOT. any(decycle_method == 'neumann') ) .AND. (.NOT. any(decycle_method == 'dirichlet') ) ) THEN
1218	message_string = 'Incorrect boundary conditions. Only neumann or ' &
1219	// 'dirichlet &available for decycling chemical species '
1220	CALL message( 'chem_check_parameters', 'CM0426', 1, 2, 0, 6, 0 )
1221	ENDIF
1222	!
1223	!-- check for chemical mechanism used
1224	CALL get_mechanism_name
1225	IF ( chem_mechanism /= TRIM( cs_mech ) ) THEN
1226	message_string = 'Incorrect chemistry mechanism selected, check spelling in namelist and/or chem_gasphase_mod'
1227	CALL message( 'chem_check_parameters', 'CM0462', 1, 2, 0, 6, 0 )
1228	ENDIF
1229	!
1230	!-- chem_check_parameters is called before the array chem_species is allocated!
1231	!-- temporary switch of this part of the check
1232	! RETURN !bK commented
1233
1234	CALL chem_init_internal
1235	!
1236	!-- check for initial chem species input
1237	lsp_usr = 1
1238	lsp = 1
1239	DO WHILE ( cs_name (lsp_usr) /= 'novalue')
1240	found = .FALSE.
1241	DO lsp = 1, nvar
1242	IF ( TRIM( cs_name (lsp_usr) ) == TRIM( chem_species(lsp)%name) ) THEN
1243	found = .TRUE.
1244	EXIT
1245	ENDIF
1246	ENDDO
1247	IF ( .NOT. found ) THEN
1248	message_string = 'Unused/incorrect input for initial surface value: ' // &
1249	TRIM( cs_name(lsp_usr) )
1250	CALL message( 'chem_check_parameters', 'CM0427', 1, 2, 0, 6, 0 )
1251	ENDIF
1252	lsp_usr = lsp_usr + 1
1253	ENDDO
1254	!
1255	!-- check for surface emission flux chem species
1256	lsp_usr = 1
1257	lsp = 1
1258	DO WHILE ( surface_csflux_name (lsp_usr) /= 'novalue')
1259	found = .FALSE.
1260	DO lsp = 1, nvar
1261	IF ( TRIM( surface_csflux_name (lsp_usr) ) == TRIM( chem_species(lsp)%name ) ) THEN
1262	found = .TRUE.
1263	EXIT
1264	ENDIF
1265	ENDDO
1266	IF ( .NOT. found ) THEN
1267	message_string = 'Unused/incorrect input of chemical species for surface emission fluxes: ' &
1268	// TRIM( surface_csflux_name(lsp_usr) )
1269	CALL message( 'chem_check_parameters', 'CM0428', 1, 2, 0, 6, 0 )
1270	ENDIF
1271	lsp_usr = lsp_usr + 1
1272	ENDDO
1273
1274	END SUBROUTINE chem_check_parameters
1275
1276
1277	!------------------------------------------------------------------------------!
1278	! Description:
1279	! ------------
1280	!> Subroutine defining 2D output variables for chemical species
1281	!> @todo: Remove "mode" from argument list, not used.
1282	!------------------------------------------------------------------------------!
1283	SUBROUTINE chem_data_output_2d( av, variable, found, grid, mode, local_pf, &
1284	two_d, nzb_do, nzt_do, fill_value )
1285
1286
1287	CHARACTER (LEN=*) :: grid !<
1288	CHARACTER (LEN=*) :: mode !<
1289	CHARACTER (LEN=*) :: variable !<
1290	INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data
1291	INTEGER(iwp) :: nzb_do !< lower limit of the domain (usually nzb)
1292	INTEGER(iwp) :: nzt_do !< upper limit of the domain (usually nzt+1)
1293	LOGICAL :: found !<
1294	LOGICAL :: two_d !< flag parameter that indicates 2D variables (horizontal cross sections)
1295	REAL(wp) :: fill_value
1296	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb:nzt+1) :: local_pf
1297
1298	!
1299	!-- local variables.
1300	CHARACTER(LEN=16) :: spec_name
1301	INTEGER(iwp) :: lsp
1302	INTEGER(iwp) :: i !< grid index along x-direction
1303	INTEGER(iwp) :: j !< grid index along y-direction
1304	INTEGER(iwp) :: k !< grid index along z-direction
1305	INTEGER(iwp) :: m !< running indices for surfaces
1306	INTEGER(iwp) :: char_len !< length of a character string
1307	!
1308	!-- Next statement is to avoid compiler warnings about unused variables
1309	IF ( mode(1:1) == ' ' .OR. two_d ) CONTINUE
1310
1311	found = .FALSE.
1312	char_len = LEN_TRIM( variable )
1313
1314	spec_name = TRIM( variable(4:char_len-3) )
1315	!
1316	!-- Output of emission values, i.e. surface fluxes cssws.
1317	IF ( variable(1:3) == 'em_' ) THEN
1318
1319	local_pf = 0.0_wp
1320
1321	DO lsp = 1, nvar
1322	IF ( TRIM( spec_name ) == TRIM( chem_species(lsp)%name) ) THEN
1323	!
1324	!-- No average output for now.
1325	DO m = 1, surf_lsm_h%ns
1326	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),nzb+1) = &
1327	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),nzb+1) &
1328	+ surf_lsm_h%cssws(lsp,m)
1329	ENDDO
1330	DO m = 1, surf_usm_h%ns
1331	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),nzb+1) = &
1332	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),nzb+1) &
1333	+ surf_usm_h%cssws(lsp,m)
1334	ENDDO
1335	grid = 'zu'
1336	found = .TRUE.
1337	ENDIF
1338	ENDDO
1339
1340	ELSE
1341
1342	DO lsp=1,nspec
1343	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) .AND. &
1344	( (variable(char_len-2:) == '_xy') .OR. &
1345	(variable(char_len-2:) == '_xz') .OR. &
1346	(variable(char_len-2:) == '_yz') ) ) THEN
1347	!
1348	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1349	! IF(myid == 0) WRITE(6,*) 'Output of species ' // TRIM( variable ) // &
1350	! TRIM( chem_species(lsp)%name )
1351	IF (av == 0) THEN
1352	DO i = nxl, nxr
1353	DO j = nys, nyn
1354	DO k = nzb_do, nzt_do
1355	local_pf(i,j,k) = MERGE( &
1356	chem_species(lsp)%conc(k,j,i), &
1357	REAL( fill_value, KIND = wp ), &
1358	BTEST( wall_flags_0(k,j,i), 0 ) )
1359	ENDDO
1360	ENDDO
1361	ENDDO
1362
1363	ELSE
1364	DO i = nxl, nxr
1365	DO j = nys, nyn
1366	DO k = nzb_do, nzt_do
1367	local_pf(i,j,k) = MERGE( &
1368	chem_species(lsp)%conc_av(k,j,i), &
1369	REAL( fill_value, KIND = wp ), &
1370	BTEST( wall_flags_0(k,j,i), 0 ) )
1371	ENDDO
1372	ENDDO
1373	ENDDO
1374	ENDIF
1375	grid = 'zu'
1376	found = .TRUE.
1377	ENDIF
1378	ENDDO
1379	ENDIF
1380
1381	RETURN
1382
1383	END SUBROUTINE chem_data_output_2d
1384
1385
1386	!------------------------------------------------------------------------------!
1387	! Description:
1388	! ------------
1389	!> Subroutine defining 3D output variables for chemical species
1390	!------------------------------------------------------------------------------!
1391	SUBROUTINE chem_data_output_3d( av, variable, found, local_pf, fill_value, nzb_do, nzt_do )
1392
1393
1394	USE surface_mod
1395
1396	CHARACTER (LEN=*) :: variable !<
1397	INTEGER(iwp) :: av !<
1398	INTEGER(iwp) :: nzb_do !< lower limit of the data output (usually 0)
1399	INTEGER(iwp) :: nzt_do !< vertical upper limit of the data output (usually nz_do3d)
1400
1401	LOGICAL :: found !<
1402
1403	REAL(wp) :: fill_value !<
1404	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf
1405	!
1406	!-- local variables
1407	CHARACTER(LEN=16) :: spec_name
1408	INTEGER(iwp) :: i
1409	INTEGER(iwp) :: j
1410	INTEGER(iwp) :: k
1411	INTEGER(iwp) :: m !< running indices for surfaces
1412	INTEGER(iwp) :: l
1413	INTEGER(iwp) :: lsp !< running index for chem spcs
1414
1415
1416	found = .FALSE.
1417	IF ( .NOT. (variable(1:3) == 'kc_' .OR. variable(1:3) == 'em_' ) ) THEN
1418	RETURN
1419	ENDIF
1420
1421	spec_name = TRIM( variable(4:) )
1422
1423	IF ( variable(1:3) == 'em_' ) THEN
1424
1425	DO lsp = 1, nvar !!! cssws - nvar species, chem_species - nspec species !!!
1426	IF ( TRIM( spec_name ) == TRIM( chem_species(lsp)%name) ) THEN
1427
1428	local_pf = 0.0_wp
1429	!
1430	!-- no average for now
1431	DO m = 1, surf_usm_h%ns
1432	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),surf_usm_h%k(m)) = &
1433	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),surf_usm_h%k(m)) + surf_usm_h%cssws(lsp,m)
1434	ENDDO
1435	DO m = 1, surf_lsm_h%ns
1436	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),surf_lsm_h%k(m)) = &
1437	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),surf_lsm_h%k(m)) + surf_lsm_h%cssws(lsp,m)
1438	ENDDO
1439	DO l = 0, 3
1440	DO m = 1, surf_usm_v(l)%ns
1441	local_pf(surf_usm_v(l)%i(m),surf_usm_v(l)%j(m),surf_usm_v(l)%k(m)) = &
1442	local_pf(surf_usm_v(l)%i(m),surf_usm_v(l)%j(m),surf_usm_v(l)%k(m)) + surf_usm_v(l)%cssws(lsp,m)
1443	ENDDO
1444	DO m = 1, surf_lsm_v(l)%ns
1445	local_pf(surf_lsm_v(l)%i(m),surf_lsm_v(l)%j(m),surf_lsm_v(l)%k(m)) = &
1446	local_pf(surf_lsm_v(l)%i(m),surf_lsm_v(l)%j(m),surf_lsm_v(l)%k(m)) + surf_lsm_v(l)%cssws(lsp,m)
1447	ENDDO
1448	ENDDO
1449	found = .TRUE.
1450	ENDIF
1451	ENDDO
1452	ELSE
1453	DO lsp = 1, nspec
1454	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name) ) THEN
1455	!
1456	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1457	! IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM( variable ) // &
1458	! TRIM( chem_species(lsp)%name )
1459	IF (av == 0) THEN
1460	DO i = nxl, nxr
1461	DO j = nys, nyn
1462	DO k = nzb_do, nzt_do
1463	local_pf(i,j,k) = MERGE( &
1464	chem_species(lsp)%conc(k,j,i), &
1465	REAL( fill_value, KIND = wp ), &
1466	BTEST( wall_flags_0(k,j,i), 0 ) )
1467	ENDDO
1468	ENDDO
1469	ENDDO
1470
1471	ELSE
1472
1473	DO i = nxl, nxr
1474	DO j = nys, nyn
1475	DO k = nzb_do, nzt_do
1476	local_pf(i,j,k) = MERGE( &
1477	chem_species(lsp)%conc_av(k,j,i),&
1478	REAL( fill_value, KIND = wp ), &
1479	BTEST( wall_flags_0(k,j,i), 0 ) )
1480	ENDDO
1481	ENDDO
1482	ENDDO
1483	ENDIF
1484	found = .TRUE.
1485	ENDIF
1486	ENDDO
1487	ENDIF
1488
1489	RETURN
1490
1491	END SUBROUTINE chem_data_output_3d
1492
1493
1494	!------------------------------------------------------------------------------!
1495	! Description:
1496	! ------------
1497	!> Subroutine defining mask output variables for chemical species
1498	!------------------------------------------------------------------------------!
1499	SUBROUTINE chem_data_output_mask( av, variable, found, local_pf )
1500
1501
1502	USE control_parameters
1503
1504	USE surface_mod, &
1505	ONLY: get_topography_top_index_ji
1506
1507
1508	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grids
1509	CHARACTER(LEN=*) :: variable !<
1510	INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data
1511	LOGICAL :: found
1512	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: &
1513	local_pf !<
1514	!
1515	!-- local variables.
1516	CHARACTER(LEN=16) :: spec_name
1517	INTEGER(iwp) :: lsp
1518	INTEGER(iwp) :: i !< grid index along x-direction
1519	INTEGER(iwp) :: j !< grid index along y-direction
1520	INTEGER(iwp) :: k !< grid index along z-direction
1521	INTEGER(iwp) :: topo_top_ind !< k index of highest horizontal surface
1522
1523	found = .TRUE.
1524	grid = 's'
1525
1526	spec_name = TRIM( variable(4:) )
1527
1528	DO lsp=1,nspec
1529	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name) ) THEN
1530	!
1531	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1532	! IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM( variable ) // &
1533	! TRIM( chem_species(lsp)%name )
1534	IF (av == 0) THEN
1535	IF ( .NOT. mask_surface(mid) ) THEN
1536
1537	DO i = 1, mask_size_l(mid,1)
1538	DO j = 1, mask_size_l(mid,2)
1539	DO k = 1, mask_size(mid,3)
1540	local_pf(i,j,k) = chem_species(lsp)%conc( &
1541	mask_k(mid,k), &
1542	mask_j(mid,j), &
1543	mask_i(mid,i) )
1544	ENDDO
1545	ENDDO
1546	ENDDO
1547
1548	ELSE
1549	!
1550	!-- Terrain-following masked output
1551	DO i = 1, mask_size_l(mid,1)
1552	DO j = 1, mask_size_l(mid,2)
1553	!
1554	!-- Get k index of highest horizontal surface
1555	topo_top_ind = get_topography_top_index_ji( &
1556	mask_j(mid,j), &
1557	mask_i(mid,i), &
1558	grid )
1559	!
1560	!-- Save output array
1561	DO k = 1, mask_size_l(mid,3)
1562	local_pf(i,j,k) = chem_species(lsp)%conc( &
1563	MIN( topo_top_ind+mask_k(mid,k), &
1564	nzt+1 ), &
1565	mask_j(mid,j), &
1566	mask_i(mid,i) )
1567	ENDDO
1568	ENDDO
1569	ENDDO
1570
1571	ENDIF
1572	ELSE
1573	IF ( .NOT. mask_surface(mid) ) THEN
1574
1575	DO i = 1, mask_size_l(mid,1)
1576	DO j = 1, mask_size_l(mid,2)
1577	DO k = 1, mask_size_l(mid,3)
1578	local_pf(i,j,k) = chem_species(lsp)%conc_av( &
1579	mask_k(mid,k), &
1580	mask_j(mid,j), &
1581	mask_i(mid,i) )
1582	ENDDO
1583	ENDDO
1584	ENDDO
1585
1586	ELSE
1587	!
1588	!-- Terrain-following masked output
1589	DO i = 1, mask_size_l(mid,1)
1590	DO j = 1, mask_size_l(mid,2)
1591	!
1592	!-- Get k index of highest horizontal surface
1593	topo_top_ind = get_topography_top_index_ji( &
1594	mask_j(mid,j), &
1595	mask_i(mid,i), &
1596	grid )
1597	!
1598	!-- Save output array
1599	DO k = 1, mask_size_l(mid,3)
1600	local_pf(i,j,k) = chem_species(lsp)%conc_av( &
1601	MIN( topo_top_ind+mask_k(mid,k), &
1602	nzt+1 ), &
1603	mask_j(mid,j), &
1604	mask_i(mid,i) )
1605	ENDDO
1606	ENDDO
1607	ENDDO
1608
1609	ENDIF
1610
1611	ENDIF
1612	found = .FALSE.
1613	ENDIF
1614	ENDDO
1615
1616	RETURN
1617
1618	END SUBROUTINE chem_data_output_mask
1619
1620
1621	!------------------------------------------------------------------------------!
1622	! Description:
1623	! ------------
1624	!> Subroutine defining appropriate grid for netcdf variables.
1625	!> It is called out from subroutine netcdf.
1626	!------------------------------------------------------------------------------!
1627	SUBROUTINE chem_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
1628
1629
1630	CHARACTER (LEN=*), INTENT(IN) :: var !<
1631	LOGICAL, INTENT(OUT) :: found !<
1632	CHARACTER (LEN=*), INTENT(OUT) :: grid_x !<
1633	CHARACTER (LEN=*), INTENT(OUT) :: grid_y !<
1634	CHARACTER (LEN=*), INTENT(OUT) :: grid_z !<
1635
1636	found = .TRUE.
1637
1638	IF ( var(1:3) == 'kc_' .OR. var(1:3) == 'em_' ) THEN !< always the same grid for chemistry variables
1639	grid_x = 'x'
1640	grid_y = 'y'
1641	grid_z = 'zu'
1642	ELSE
1643	found = .FALSE.
1644	grid_x = 'none'
1645	grid_y = 'none'
1646	grid_z = 'none'
1647	ENDIF
1648
1649
1650	END SUBROUTINE chem_define_netcdf_grid
1651
1652
1653	!------------------------------------------------------------------------------!
1654	! Description:
1655	! ------------
1656	!> Subroutine defining header output for chemistry model
1657	!------------------------------------------------------------------------------!
1658	SUBROUTINE chem_header( io )
1659
1660
1661	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
1662	INTEGER(iwp) :: lsp !< running index for chem spcs
1663	INTEGER(iwp) :: cs_fixed
1664	CHARACTER (LEN=80) :: docsflux_chr
1665	CHARACTER (LEN=80) :: docsinit_chr
1666	!
1667	! Get name of chemical mechanism from chem_gasphase_mod
1668	CALL get_mechanism_name
1669	!
1670	!-- Write chemistry model header
1671	WRITE( io, 1 )
1672	!
1673	!-- Gasphase reaction status
1674	IF ( chem_gasphase_on ) THEN
1675	WRITE( io, 2 )
1676	ELSE
1677	WRITE( io, 3 )
1678	ENDIF
1679	!
1680	!-- Chemistry time-step
1681	WRITE ( io, 4 ) cs_time_step
1682	!
1683	!-- Emission mode info
1684	IF ( mode_emis == "DEFAULT" ) THEN
1685	WRITE( io, 5 )
1686	ELSEIF ( mode_emis == "PARAMETERIZED" ) THEN
1687	WRITE( io, 6 )
1688	ELSEIF ( mode_emis == "PRE-PROCESSED" ) THEN
1689	WRITE( io, 7 )
1690	ENDIF
1691	!
1692	!-- Photolysis scheme info
1693	IF ( photolysis_scheme == "simple" ) THEN
1694	WRITE( io, 8 )
1695	ELSEIF (photolysis_scheme == "constant" ) THEN
1696	WRITE( io, 9 )
1697	ENDIF
1698	!
1699	!-- Emission flux info
1700	lsp = 1
1701	docsflux_chr ='Chemical species for surface emission flux: '
1702	DO WHILE ( surface_csflux_name(lsp) /= 'novalue' )
1703	docsflux_chr = TRIM( docsflux_chr ) // ' ' // TRIM( surface_csflux_name(lsp) ) // ','
1704	IF ( LEN_TRIM( docsflux_chr ) >= 75 ) THEN
1705	WRITE ( io, 10 ) docsflux_chr
1706	docsflux_chr = ' '
1707	ENDIF
1708	lsp = lsp + 1
1709	ENDDO
1710
1711	IF ( docsflux_chr /= '' ) THEN
1712	WRITE ( io, 10 ) docsflux_chr
1713	ENDIF
1714	!
1715	!-- initializatoin of Surface and profile chemical species
1716
1717	lsp = 1
1718	docsinit_chr ='Chemical species for initial surface and profile emissions: '
1719	DO WHILE ( cs_name(lsp) /= 'novalue' )
1720	docsinit_chr = TRIM( docsinit_chr ) // ' ' // TRIM( cs_name(lsp) ) // ','
1721	IF ( LEN_TRIM( docsinit_chr ) >= 75 ) THEN
1722	WRITE ( io, 11 ) docsinit_chr
1723	docsinit_chr = ' '
1724	ENDIF
1725	lsp = lsp + 1
1726	ENDDO
1727
1728	IF ( docsinit_chr /= '' ) THEN
1729	WRITE ( io, 11 ) docsinit_chr
1730	ENDIF
1731	!
1732	!-- number of variable and fix chemical species and number of reactions
1733	cs_fixed = nspec - nvar
1734
1735	WRITE ( io, * ) ' --> Chemical Mechanism : ', cs_mech
1736	WRITE ( io, * ) ' --> Chemical species, variable: ', nvar
1737	WRITE ( io, * ) ' --> Chemical species, fixed : ', cs_fixed
1738	WRITE ( io, * ) ' --> Total number of reactions : ', nreact
1739
1740
1741	1 FORMAT (//' Chemistry model information:'/ &
1742	' ----------------------------'/)
1743	2 FORMAT (' --> Chemical reactions are turned on')
1744	3 FORMAT (' --> Chemical reactions are turned off')
1745	4 FORMAT (' --> Time-step for chemical species: ',F6.2, ' s')
1746	5 FORMAT (' --> Emission mode = DEFAULT ')
1747	6 FORMAT (' --> Emission mode = PARAMETERIZED ')
1748	7 FORMAT (' --> Emission mode = PRE-PROCESSED ')
1749	8 FORMAT (' --> Photolysis scheme used = simple ')
1750	9 FORMAT (' --> Photolysis scheme used = constant ')
1751	10 FORMAT (/' ',A)
1752	11 FORMAT (/' ',A)
1753	!
1754	!
1755	END SUBROUTINE chem_header
1756
1757
1758	!------------------------------------------------------------------------------!
1759	! Description:
1760	! ------------
1761	!> Subroutine initializating chemistry_model_mod specific arrays
1762	!------------------------------------------------------------------------------!
1763	SUBROUTINE chem_init_arrays
1764	!
1765	!-- Please use this place to allocate required arrays
1766
1767	END SUBROUTINE chem_init_arrays
1768
1769
1770	!------------------------------------------------------------------------------!
1771	! Description:
1772	! ------------
1773	!> Subroutine initializating chemistry_model_mod
1774	!------------------------------------------------------------------------------!
1775	SUBROUTINE chem_init
1776
1777	USE chem_emissions_mod, &
1778	ONLY: chem_emissions_init
1779
1780	USE netcdf_data_input_mod, &
1781	ONLY: init_3d
1782
1783
1784	INTEGER(iwp) :: i !< running index x dimension
1785	INTEGER(iwp) :: j !< running index y dimension
1786	INTEGER(iwp) :: n !< running index for chemical species
1787
1788
1789	IF ( debug_output ) CALL debug_message( 'chem_init', 'start' )
1790	!
1791	!-- Next statement is to avoid compiler warning about unused variables
1792	IF ( ( ilu_arable + ilu_coniferous_forest + ilu_deciduous_forest + ilu_mediterrean_scrub + &
1793	ilu_permanent_crops + ilu_savanna + ilu_semi_natural_veg + ilu_tropical_forest + &
1794	ilu_urban ) == 0 ) CONTINUE
1795
1796	IF ( emissions_anthropogenic ) CALL chem_emissions_init
1797	!
1798	!-- Chemistry variables will be initialized if availabe from dynamic
1799	!-- input file. Note, it is possible to initialize only part of the chemistry
1800	!-- variables from dynamic input.
1801	IF ( INDEX( initializing_actions, 'inifor' ) /= 0 ) THEN
1802	DO n = 1, nspec
1803	IF ( init_3d%from_file_chem(n) ) THEN
1804	DO i = nxlg, nxrg
1805	DO j = nysg, nyng
1806	chem_species(n)%conc(:,j,i) = init_3d%chem_init(:,n)
1807	ENDDO
1808	ENDDO
1809	ENDIF
1810	ENDDO
1811	ENDIF
1812
1813	IF ( debug_output ) CALL debug_message( 'chem_init', 'end' )
1814
1815	END SUBROUTINE chem_init
1816
1817
1818	!------------------------------------------------------------------------------!
1819	! Description:
1820	! ------------
1821	!> Subroutine initializating chemistry_model_mod
1822	!> internal workaround for chem_species dependency in chem_check_parameters
1823	!------------------------------------------------------------------------------!
1824	SUBROUTINE chem_init_internal
1825
1826	USE pegrid
1827
1828	USE netcdf_data_input_mod, &
1829	ONLY: chem_emis, chem_emis_att, input_pids_dynamic, init_3d, &
1830	netcdf_data_input_chemistry_data
1831
1832	!
1833	!-- Local variables
1834	INTEGER(iwp) :: i !< running index for for horiz numerical grid points
1835	INTEGER(iwp) :: j !< running index for for horiz numerical grid points
1836	INTEGER(iwp) :: lsp !< running index for chem spcs
1837	INTEGER(iwp) :: lpr_lev !< running index for chem spcs profile level
1838
1839	IF ( emissions_anthropogenic ) THEN
1840	CALL netcdf_data_input_chemistry_data( chem_emis_att, chem_emis )
1841	ENDIF
1842	!
1843	!-- Allocate memory for chemical species
1844	ALLOCATE( chem_species(nspec) )
1845	ALLOCATE( spec_conc_1 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1846	ALLOCATE( spec_conc_2 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1847	ALLOCATE( spec_conc_3 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1848	ALLOCATE( spec_conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1849	ALLOCATE( phot_frequen(nphot) )
1850	ALLOCATE( freq_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nphot) )
1851	ALLOCATE( bc_cs_t_val(nspec) )
1852	!
1853	!-- Initialize arrays
1854	spec_conc_1 (:,:,:,:) = 0.0_wp
1855	spec_conc_2 (:,:,:,:) = 0.0_wp
1856	spec_conc_3 (:,:,:,:) = 0.0_wp
1857	spec_conc_av(:,:,:,:) = 0.0_wp
1858
1859
1860	DO lsp = 1, nspec
1861	chem_species(lsp)%name = spc_names(lsp)
1862
1863	chem_species(lsp)%conc (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1 (:,:,:,lsp)
1864	chem_species(lsp)%conc_p (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2 (:,:,:,lsp)
1865	chem_species(lsp)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_3 (:,:,:,lsp)
1866	chem_species(lsp)%conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_av(:,:,:,lsp)
1867
1868	ALLOCATE (chem_species(lsp)%cssws_av(nysg:nyng,nxlg:nxrg))
1869	chem_species(lsp)%cssws_av = 0.0_wp
1870	!
1871	!-- The following block can be useful when emission module is not applied. &
1872	!-- if emission module is applied the following block will be overwritten.
1873	ALLOCATE (chem_species(lsp)%flux_s_cs(nzb+1:nzt,0:threads_per_task-1))
1874	ALLOCATE (chem_species(lsp)%diss_s_cs(nzb+1:nzt,0:threads_per_task-1))
1875	ALLOCATE (chem_species(lsp)%flux_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1))
1876	ALLOCATE (chem_species(lsp)%diss_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1))
1877	chem_species(lsp)%flux_s_cs = 0.0_wp
1878	chem_species(lsp)%flux_l_cs = 0.0_wp
1879	chem_species(lsp)%diss_s_cs = 0.0_wp
1880	chem_species(lsp)%diss_l_cs = 0.0_wp
1881	!
1882	!-- Allocate memory for initial concentration profiles
1883	!-- (concentration values come from namelist)
1884	!-- (@todo (FK): Because of this, chem_init is called in palm before
1885	!-- check_parameters, since conc_pr_init is used there.
1886	!-- We have to find another solution since chem_init should
1887	!-- eventually be called from init_3d_model!!)
1888	ALLOCATE ( chem_species(lsp)%conc_pr_init(0:nz+1) )
1889	chem_species(lsp)%conc_pr_init(:) = 0.0_wp
1890
1891	ENDDO
1892	!
1893	!-- Initial concentration of profiles is prescribed by parameters cs_profile
1894	!-- and cs_heights in the namelist &chemistry_parameters
1895
1896	CALL chem_init_profiles
1897	!
1898	!-- In case there is dynamic input file, create a list of names for chemistry
1899	!-- initial input files. Also, initialize array that indicates whether the
1900	!-- respective variable is on file or not.
1901	IF ( input_pids_dynamic ) THEN
1902	ALLOCATE( init_3d%var_names_chem(1:nspec) )
1903	ALLOCATE( init_3d%from_file_chem(1:nspec) )
1904	init_3d%from_file_chem(:) = .FALSE.
1905
1906	DO lsp = 1, nspec
1907	init_3d%var_names_chem(lsp) = init_3d%init_char // TRIM( chem_species(lsp)%name )
1908	ENDDO
1909	ENDIF
1910	!
1911	!-- Initialize model variables
1912	IF ( TRIM( initializing_actions ) /= 'read_restart_data' .AND. &
1913	TRIM( initializing_actions ) /= 'cyclic_fill' ) THEN
1914	!
1915	!-- First model run of a possible job queue.
1916	!-- Initial profiles of the variables must be computed.
1917	IF ( INDEX( initializing_actions, 'set_1d-model_profiles' ) /= 0 ) THEN
1918	!
1919	!-- Transfer initial profiles to the arrays of the 3D model
1920	DO lsp = 1, nspec
1921	DO i = nxlg, nxrg
1922	DO j = nysg, nyng
1923	DO lpr_lev = 1, nz + 1
1924	chem_species(lsp)%conc(lpr_lev,j,i) = chem_species(lsp)%conc_pr_init(lpr_lev)
1925	ENDDO
1926	ENDDO
1927	ENDDO
1928	ENDDO
1929
1930	ELSEIF ( INDEX(initializing_actions, 'set_constant_profiles') /= 0 ) &
1931	THEN
1932
1933	DO lsp = 1, nspec
1934	DO i = nxlg, nxrg
1935	DO j = nysg, nyng
1936	chem_species(lsp)%conc(:,j,i) = chem_species(lsp)%conc_pr_init
1937	ENDDO
1938	ENDDO
1939	ENDDO
1940
1941	ENDIF
1942	!
1943	!-- If required, change the surface chem spcs at the start of the 3D run
1944	IF ( cs_surface_initial_change(1) /= 0.0_wp ) THEN
1945	DO lsp = 1, nspec
1946	chem_species(lsp)%conc(nzb,:,:) = chem_species(lsp)%conc(nzb,:,:) + &
1947	cs_surface_initial_change(lsp)
1948	ENDDO
1949	ENDIF
1950	!
1951	!-- Initiale old and new time levels.
1952	DO lsp = 1, nvar
1953	chem_species(lsp)%tconc_m = 0.0_wp
1954	chem_species(lsp)%conc_p = chem_species(lsp)%conc
1955	ENDDO
1956
1957	ENDIF
1958
1959	DO lsp = 1, nphot
1960	phot_frequen(lsp)%name = phot_names(lsp)
1961	!
1962	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1963	!-- IF( myid == 0 ) THEN
1964	!-- WRITE(6,'(a,i4,3x,a)') 'Photolysis: ',lsp,TRIM( phot_names(lsp) )
1965	!-- ENDIF
1966	phot_frequen(lsp)%freq(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => freq_1(:,:,:,lsp)
1967	ENDDO
1968
1969	! CALL photolysis_init ! probably also required for restart
1970
1971	RETURN
1972
1973	END SUBROUTINE chem_init_internal
1974
1975
1976	!------------------------------------------------------------------------------!
1977	! Description:
1978	! ------------
1979	!> Subroutine defining initial vertical profiles of chemical species (given by
1980	!> namelist parameters chem_profiles and chem_heights) --> which should work
1981	!> analogue to parameters u_profile, v_profile and uv_heights)
1982	!------------------------------------------------------------------------------!
1983	SUBROUTINE chem_init_profiles
1984	!
1985	!-- SUBROUTINE is called from chem_init in case of TRIM( initializing_actions ) /= 'read_restart_data'
1986	!< We still need to see what has to be done in case of restart run
1987
1988	USE chem_modules
1989
1990	!
1991	!-- Local variables
1992	INTEGER :: lsp !< running index for number of species in derived data type species_def
1993	INTEGER :: lsp_usr !< running index for number of species (user defined) in cs_names, cs_profiles etc
1994	INTEGER :: lpr_lev !< running index for profile level for each chem spcs.
1995	INTEGER :: npr_lev !< the next available profile lev
1996	!
1997	!-- Parameter "cs_profile" and "cs_heights" are used to prescribe user defined initial profiles
1998	!-- and heights. If parameter "cs_profile" is not prescribed then initial surface values
1999	!-- "cs_surface" are used as constant initial profiles for each species. If "cs_profile" and
2000	!-- "cs_heights" are prescribed, their values will!override the constant profile given by
2001	!-- "cs_surface".
2002	IF ( TRIM( initializing_actions ) /= 'read_restart_data' ) THEN
2003	lsp_usr = 1
2004	DO WHILE ( TRIM( cs_name( lsp_usr ) ) /= 'novalue' ) !'novalue' is the default
2005	DO lsp = 1, nspec !
2006	!
2007	!-- create initial profile (conc_pr_init) for each chemical species
2008	IF ( TRIM( chem_species(lsp)%name ) == TRIM( cs_name(lsp_usr) ) ) THEN !
2009	IF ( cs_profile(lsp_usr,1) == 9999999.9_wp ) THEN
2010	!
2011	!-- set a vertically constant profile based on the surface conc (cs_surface(lsp_usr)) of each species
2012	DO lpr_lev = 0, nzt+1
2013	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_surface(lsp_usr)
2014	ENDDO
2015	ELSE
2016	IF ( cs_heights(1,1) /= 0.0_wp ) THEN
2017	message_string = 'The surface value of cs_heights must be 0.0'
2018	CALL message( 'chem_check_parameters', 'CM0434', 1, 2, 0, 6, 0 )
2019	ENDIF
2020
2021	use_prescribed_profile_data = .TRUE.
2022
2023	npr_lev = 1
2024	! chem_species(lsp)%conc_pr_init(0) = 0.0_wp
2025	DO lpr_lev = 1, nz+1
2026	IF ( npr_lev < 100 ) THEN
2027	DO WHILE ( cs_heights(lsp_usr, npr_lev+1) <= zu(lpr_lev) )
2028	npr_lev = npr_lev + 1
2029	IF ( npr_lev == 100 ) THEN
2030	message_string = 'number of chem spcs exceeding the limit'
2031	CALL message( 'chem_check_parameters', 'CM0435', 1, 2, 0, 6, 0 )
2032	EXIT
2033	ENDIF
2034	ENDDO
2035	ENDIF
2036	IF ( npr_lev < 100 .AND. cs_heights(lsp_usr,npr_lev+1) /= 9999999.9_wp ) THEN
2037	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev) + &
2038	( zu(lpr_lev) - cs_heights(lsp_usr, npr_lev) ) / &
2039	( cs_heights(lsp_usr, (npr_lev + 1)) - cs_heights(lsp_usr, npr_lev ) ) * &
2040	( cs_profile(lsp_usr, (npr_lev + 1)) - cs_profile(lsp_usr, npr_lev ) )
2041	ELSE
2042	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev)
2043	ENDIF
2044	ENDDO
2045	ENDIF
2046	!
2047	!-- If a profile is prescribed explicity using cs_profiles and cs_heights, then
2048	!-- chem_species(lsp)%conc_pr_init is populated with the specific "lsp" based
2049	!-- on the cs_profiles(lsp_usr,:) and cs_heights(lsp_usr,:).
2050	ENDIF
2051	ENDDO
2052	lsp_usr = lsp_usr + 1
2053	ENDDO
2054	ENDIF
2055
2056	END SUBROUTINE chem_init_profiles
2057
2058
2059	!------------------------------------------------------------------------------!
2060	! Description:
2061	! ------------
2062	!> Subroutine to integrate chemical species in the given chemical mechanism
2063	!------------------------------------------------------------------------------!
2064	SUBROUTINE chem_integrate_ij( i, j )
2065
2066	USE statistics, &
2067	ONLY: weight_pres
2068
2069	USE control_parameters, &
2070	ONLY: dt_3d, intermediate_timestep_count, time_since_reference_point
2071
2072
2073	INTEGER,INTENT(IN) :: i
2074	INTEGER,INTENT(IN) :: j
2075	!
2076	!-- local variables
2077	INTEGER(iwp) :: lsp !< running index for chem spcs.
2078	INTEGER(iwp) :: lph !< running index for photolysis frequencies
2079	INTEGER, DIMENSION(20) :: istatus
2080	REAL(kind=wp), DIMENSION(nzb+1:nzt,nspec) :: tmp_conc
2081	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_temp
2082	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_qvap
2083	REAL(kind=wp), DIMENSION(nzb+1:nzt,nphot) :: tmp_phot
2084	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_fact
2085	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_fact_i !< conversion factor between
2086	!< molecules cm^{-3} and ppm
2087
2088	INTEGER,DIMENSION(nzb+1:nzt) :: nacc !< Number of accepted steps
2089	INTEGER,DIMENSION(nzb+1:nzt) :: nrej !< Number of rejected steps
2090
2091	REAL(wp) :: conv !< conversion factor
2092	REAL(wp), PARAMETER :: ppm2fr = 1.0e-6_wp !< Conversion factor ppm to fraction
2093	REAL(wp), PARAMETER :: fr2ppm = 1.0e6_wp !< Conversion factor fraction to ppm
2094	! REAL(wp), PARAMETER :: xm_air = 28.96_wp !< Mole mass of dry air
2095	! REAL(wp), PARAMETER :: xm_h2o = 18.01528_wp !< Mole mass of water vapor
2096	REAL(wp), PARAMETER :: t_std = 273.15_wp !< standard pressure (Pa)
2097	REAL(wp), PARAMETER :: p_std = 101325.0_wp !< standard pressure (Pa)
2098	REAL(wp), PARAMETER :: vmolcm = 22.414e3_wp !< Mole volume (22.414 l) in cm^3
2099	REAL(wp), PARAMETER :: xna = 6.022e23_wp !< Avogadro number (molecules/mol)
2100
2101	REAL(wp),DIMENSION(size(rcntrl)) :: rcntrl_local
2102
2103	REAL(kind=wp) :: dt_chem
2104	!
2105	!-- Set chem_gasphase_on to .FALSE. if you want to skip computation of gas phase chemistry
2106	IF (chem_gasphase_on) THEN
2107	nacc = 0
2108	nrej = 0
2109
2110	tmp_temp(:) = pt(nzb+1:nzt,j,i) * exner(nzb+1:nzt)
2111	!
2112	!-- convert ppm to molecules/cm**3
2113	!-- tmp_fact = 1.e-6_wp6.022e23_wp/(22.414_wp1000._wp) * 273.15_wp *
2114	!-- hyp(nzb+1:nzt)/( 101300.0_wp * tmp_temp )
2115	conv = ppm2fr * xna / vmolcm
2116	tmp_fact(:) = conv * t_std * hyp(nzb+1:nzt) / (tmp_temp(:) * p_std)
2117	tmp_fact_i = 1.0_wp/tmp_fact
2118
2119	IF ( humidity ) THEN
2120	IF ( bulk_cloud_model ) THEN
2121	tmp_qvap(:) = ( q(nzb+1:nzt,j,i) - ql(nzb+1:nzt,j,i) ) * &
2122	xm_air/xm_h2o * fr2ppm * tmp_fact(:)
2123	ELSE
2124	tmp_qvap(:) = q(nzb+1:nzt,j,i) * xm_air/xm_h2o * fr2ppm * tmp_fact(:)
2125	ENDIF
2126	ELSE
2127	tmp_qvap(:) = 0.01 * xm_air/xm_h2o * fr2ppm * tmp_fact(:) !< Constant value for q if water vapor is not computed
2128	ENDIF
2129
2130	DO lsp = 1,nspec
2131	tmp_conc(:,lsp) = chem_species(lsp)%conc(nzb+1:nzt,j,i) * tmp_fact(:)
2132	ENDDO
2133
2134	DO lph = 1,nphot
2135	tmp_phot(:,lph) = phot_frequen(lph)%freq(nzb+1:nzt,j,i)
2136	ENDDO
2137	!
2138	!-- Compute length of time step
2139	IF ( call_chem_at_all_substeps ) THEN
2140	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
2141	ELSE
2142	dt_chem = dt_3d
2143	ENDIF
2144
2145	cs_time_step = dt_chem
2146
2147	IF(maxval(rcntrl) > 0.0) THEN ! Only if rcntrl is set
2148	IF( time_since_reference_point <= 2*dt_3d) THEN
2149	rcntrl_local = 0
2150	ELSE
2151	rcntrl_local = rcntrl
2152	ENDIF
2153	ELSE
2154	rcntrl_local = 0
2155	END IF
2156
2157	CALL chem_gasphase_integrate ( dt_chem, tmp_conc, tmp_temp, tmp_qvap, tmp_fact, tmp_phot, &
2158	icntrl_i = icntrl, rcntrl_i = rcntrl_local, xnacc = nacc, xnrej = nrej, istatus=istatus )
2159
2160	DO lsp = 1,nspec
2161	chem_species(lsp)%conc (nzb+1:nzt,j,i) = tmp_conc(:,lsp) * tmp_fact_i(:)
2162	ENDDO
2163
2164
2165	ENDIF
2166
2167	RETURN
2168	END SUBROUTINE chem_integrate_ij
2169
2170
2171	!------------------------------------------------------------------------------!
2172	! Description:
2173	! ------------
2174	!> Subroutine defining parin for &chemistry_parameters for chemistry model
2175	!------------------------------------------------------------------------------!
2176	SUBROUTINE chem_parin
2177
2178	USE chem_modules
2179	USE control_parameters
2180
2181	USE pegrid
2182	USE statistics
2183
2184
2185	CHARACTER (LEN=80) :: line !< dummy string that contains the current line of the parameter file
2186
2187	REAL(wp), DIMENSION(nmaxfixsteps) :: my_steps !< List of fixed timesteps my_step(1) = 0.0 automatic stepping
2188	INTEGER(iwp) :: i !<
2189	INTEGER(iwp) :: max_pr_cs_tmp !<
2190
2191
2192	NAMELIST /chemistry_parameters/ bc_cs_b, &
2193	bc_cs_t, &
2194	call_chem_at_all_substeps, &
2195	chem_debug0, &
2196	chem_debug1, &
2197	chem_debug2, &
2198	chem_gasphase_on, &
2199	chem_mechanism, &
2200	cs_heights, &
2201	cs_name, &
2202	cs_profile, &
2203	cs_surface, &
2204	cs_surface_initial_change, &
2205	cs_vertical_gradient_level, &
2206	daytype_mdh, &
2207	decycle_chem_lr, &
2208	decycle_chem_ns, &
2209	decycle_method, &
2210	deposition_dry, &
2211	emissions_anthropogenic, &
2212	emiss_factor_main, &
2213	emiss_factor_side, &
2214	icntrl, &
2215	main_street_id, &
2216	max_street_id, &
2217	mode_emis, &
2218	my_steps, &
2219	nest_chemistry, &
2220	rcntrl, &
2221	side_street_id, &
2222	photolysis_scheme, &
2223	wall_csflux, &
2224	cs_vertical_gradient, &
2225	top_csflux, &
2226	surface_csflux, &
2227	surface_csflux_name, &
2228	time_fac_type
2229	!
2230	!-- analogue to chem_names(nspj) we could invent chem_surfaceflux(nspj) and chem_topflux(nspj)
2231	!-- so this way we could prescribe a specific flux value for each species
2232	!> chemistry_parameters for initial profiles
2233	!> cs_names = 'O3', 'NO2', 'NO', ... to set initial profiles)
2234	!> cs_heights(1,:) = 0.0, 100.0, 500.0, 2000.0, .... (height levels where concs will be prescribed for O3)
2235	!> cs_heights(2,:) = 0.0, 200.0, 400.0, 1000.0, .... (same for NO2 etc.)
2236	!> cs_profiles(1,:) = 10.0, 20.0, 20.0, 30.0, ..... (chem spcs conc at height lvls chem_heights(1,:)) etc.
2237	!> If the respective concentration profile should be constant with height, then use "cs_surface( number of spcs)"
2238	!> then write these cs_surface values to chem_species(lsp)%conc_pr_init(:)
2239	!
2240	!-- Read chem namelist
2241
2242	CHARACTER(LEN=8) :: solver_type
2243
2244	icntrl = 0
2245	rcntrl = 0.0_wp
2246	my_steps = 0.0_wp
2247	photolysis_scheme = 'simple'
2248	atol = 1.0_wp
2249	rtol = 0.01_wp
2250	!
2251	!-- Try to find chemistry package
2252	REWIND ( 11 )
2253	line = ' '
2254	DO WHILE ( INDEX( line, '&chemistry_parameters' ) == 0 )
2255	READ ( 11, '(A)', END=20 ) line
2256	ENDDO
2257	BACKSPACE ( 11 )
2258	!
2259	!-- Read chemistry namelist
2260	READ ( 11, chemistry_parameters, ERR = 10, END = 20 )
2261	!
2262	!-- Enable chemistry model
2263	air_chemistry = .TRUE.
2264	GOTO 20
2265
2266	10 BACKSPACE( 11 )
2267	READ( 11 , '(A)') line
2268	CALL parin_fail_message( 'chemistry_parameters', line )
2269
2270	20 CONTINUE
2271	!
2272	!-- check for emission mode for chem species
2273	IF ( (mode_emis /= 'PARAMETERIZED') .AND. ( mode_emis /= 'DEFAULT' ) .AND. ( mode_emis /= 'PRE-PROCESSED' ) ) THEN
2274	message_string = 'Incorrect mode_emiss option select. Please check spelling'
2275	CALL message( 'chem_check_parameters', 'CM0436', 1, 2, 0, 6, 0 )
2276	ENDIF
2277
2278	t_steps = my_steps
2279	!
2280	!-- Determine the number of user-defined profiles and append them to the
2281	!-- standard data output (data_output_pr)
2282	max_pr_cs_tmp = 0
2283	i = 1
2284
2285	DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 )
2286	IF ( TRIM( data_output_pr(i)(1:3) ) == 'kc_' ) THEN
2287	max_pr_cs_tmp = max_pr_cs_tmp+1
2288	ENDIF
2289	i = i +1
2290	ENDDO
2291
2292	IF ( max_pr_cs_tmp > 0 ) THEN
2293	cs_pr_namelist_found = .TRUE.
2294	max_pr_cs = max_pr_cs_tmp
2295	ENDIF
2296
2297	! Set Solver Type
2298	IF(icntrl(3) == 0) THEN
2299	solver_type = 'rodas3' !Default
2300	ELSE IF(icntrl(3) == 1) THEN
2301	solver_type = 'ros2'
2302	ELSE IF(icntrl(3) == 2) THEN
2303	solver_type = 'ros3'
2304	ELSE IF(icntrl(3) == 3) THEN
2305	solver_type = 'ro4'
2306	ELSE IF(icntrl(3) == 4) THEN
2307	solver_type = 'rodas3'
2308	ELSE IF(icntrl(3) == 5) THEN
2309	solver_type = 'rodas4'
2310	ELSE IF(icntrl(3) == 6) THEN
2311	solver_type = 'Rang3'
2312	ELSE
2313	message_string = 'illegal solver type'
2314	CALL message( 'chem_parin', 'PA0506', 1, 2, 0, 6, 0 )
2315	END IF
2316
2317	!
2318	!-- todo: remove or replace by "CALL message" mechanism (kanani)
2319	! write(text,*) 'gas_phase chemistry: solver_type = ',TRIM( solver_type )
2320	!kk Has to be changed to right calling sequence
2321	! IF(myid == 0) THEN
2322	! write(9,*) ' '
2323	! write(9,*) 'kpp setup '
2324	! write(9,*) ' '
2325	! write(9,*) ' gas_phase chemistry: solver_type = ',TRIM( solver_type )
2326	! write(9,*) ' '
2327	! write(9,*) ' Hstart = ',rcntrl(3)
2328	! write(9,*) ' FacMin = ',rcntrl(4)
2329	! write(9,*) ' FacMax = ',rcntrl(5)
2330	! write(9,*) ' '
2331	! IF(vl_dim > 1) THEN
2332	! write(9,*) ' Vector mode vektor length = ',vl_dim
2333	! ELSE
2334	! write(9,*) ' Scalar mode'
2335	! ENDIF
2336	! write(9,*) ' '
2337	! END IF
2338
2339	RETURN
2340
2341	END SUBROUTINE chem_parin
2342
2343
2344	!------------------------------------------------------------------------------!
2345	! Description:
2346	! ------------
2347	!> Call for all grid points
2348	!------------------------------------------------------------------------------!
2349	SUBROUTINE chem_actions( location )
2350
2351
2352	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
2353
2354	SELECT CASE ( location )
2355
2356	CASE ( 'before_prognostic_equations' )
2357	!
2358	!-- Chemical reactions and deposition
2359	IF ( chem_gasphase_on ) THEN
2360	!
2361	!-- If required, calculate photolysis frequencies -
2362	!-- UNFINISHED: Why not before the intermediate timestep loop?
2363	IF ( intermediate_timestep_count == 1 ) THEN
2364	CALL photolysis_control
2365	ENDIF
2366
2367	ENDIF
2368
2369	CASE DEFAULT
2370	CONTINUE
2371
2372	END SELECT
2373
2374	END SUBROUTINE chem_actions
2375
2376
2377	!------------------------------------------------------------------------------!
2378	! Description:
2379	! ------------
2380	!> Call for grid points i,j
2381	!------------------------------------------------------------------------------!
2382
2383	SUBROUTINE chem_actions_ij( i, j, location )
2384
2385
2386	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
2387	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
2388	CHARACTER (LEN=*), INTENT(IN) :: location !< call location string
2389	INTEGER(iwp) :: dummy !< call location string
2390
2391	IF ( air_chemistry ) dummy = i + j
2392
2393	SELECT CASE ( location )
2394
2395	CASE DEFAULT
2396	CONTINUE
2397
2398	END SELECT
2399
2400
2401	END SUBROUTINE chem_actions_ij
2402
2403
2404	!------------------------------------------------------------------------------!
2405	! Description:
2406	! ------------
2407	!> Call for all grid points
2408	!------------------------------------------------------------------------------!
2409	SUBROUTINE chem_non_advective_processes()
2410
2411
2412	INTEGER(iwp) :: i !<
2413	INTEGER(iwp) :: j !<
2414
2415	!
2416	!-- Calculation of chemical reactions and deposition.
2417
2418
2419	IF ( intermediate_timestep_count == 1 .OR. call_chem_at_all_substeps ) THEN
2420
2421	IF ( chem_gasphase_on ) THEN
2422	CALL cpu_log( log_point_s(19), 'chem.reactions', 'start' )
2423	!$OMP PARALLEL PRIVATE (i,j)
2424	!$OMP DO schedule(static,1)
2425	DO i = nxl, nxr
2426	DO j = nys, nyn
2427	CALL chem_integrate( i, j )
2428	ENDDO
2429	ENDDO
2430	!$OMP END PARALLEL
2431	CALL cpu_log( log_point_s(19), 'chem.reactions', 'stop' )
2432	ENDIF
2433
2434	IF ( deposition_dry ) THEN
2435	CALL cpu_log( log_point_s(24), 'chem.deposition', 'start' )
2436	DO i = nxl, nxr
2437	DO j = nys, nyn
2438	CALL chem_depo( i, j )
2439	ENDDO
2440	ENDDO
2441	CALL cpu_log( log_point_s(24), 'chem.deposition', 'stop' )
2442	ENDIF
2443
2444	ENDIF
2445
2446
2447
2448	END SUBROUTINE chem_non_advective_processes
2449
2450
2451	!------------------------------------------------------------------------------!
2452	! Description:
2453	! ------------
2454	!> Call for grid points i,j
2455	!------------------------------------------------------------------------------!
2456	SUBROUTINE chem_non_advective_processes_ij( i, j )
2457
2458
2459	INTEGER(iwp), INTENT(IN) :: i !< grid index in x-direction
2460	INTEGER(iwp), INTENT(IN) :: j !< grid index in y-direction
2461
2462	!
2463	!-- Calculation of chemical reactions and deposition.
2464
2465
2466	IF ( intermediate_timestep_count == 1 .OR. call_chem_at_all_substeps ) THEN
2467
2468	IF ( chem_gasphase_on ) THEN
2469	CALL cpu_log( log_point_s(19), 'chem.reactions', 'start' )
2470	CALL chem_integrate( i, j )
2471	CALL cpu_log( log_point_s(19), 'chem.reactions', 'stop' )
2472	ENDIF
2473
2474	IF ( deposition_dry ) THEN
2475	CALL cpu_log( log_point_s(24), 'chem.deposition', 'start' )
2476	CALL chem_depo( i, j )
2477	CALL cpu_log( log_point_s(24), 'chem.deposition', 'stop' )
2478	ENDIF
2479
2480	ENDIF
2481
2482
2483
2484	END SUBROUTINE chem_non_advective_processes_ij
2485
2486	!------------------------------------------------------------------------------!
2487	! Description:
2488	! ------------
2489	!> routine for exchange horiz of chemical quantities
2490	!------------------------------------------------------------------------------!
2491	SUBROUTINE chem_exchange_horiz_bounds
2492
2493	INTEGER(iwp) :: lsp !<
2494	INTEGER(iwp) :: lsp_usr !<
2495
2496	!
2497	!-- Loop over chemical species
2498	CALL cpu_log( log_point_s(84), 'chem.exch-horiz', 'start' )
2499	DO lsp = 1, nvar
2500	CALL exchange_horiz( chem_species(lsp)%conc, nbgp )
2501	lsp_usr = 1
2502	DO WHILE ( TRIM( cs_name( lsp_usr ) ) /= 'novalue' )
2503	IF ( TRIM(chem_species(lsp)%name) == TRIM(cs_name(lsp_usr)) ) THEN
2504
2505	CALL chem_boundary_conds( chem_species(lsp)%conc_p, &
2506	chem_species(lsp)%conc_pr_init )
2507
2508	ENDIF
2509	lsp_usr = lsp_usr +1
2510	ENDDO
2511
2512
2513	ENDDO
2514	CALL cpu_log( log_point_s(84), 'chem.exch-horiz', 'stop' )
2515
2516
2517	END SUBROUTINE chem_exchange_horiz_bounds
2518
2519
2520	!------------------------------------------------------------------------------!
2521	! Description:
2522	! ------------
2523	!> Subroutine calculating prognostic equations for chemical species
2524	!> (vector-optimized).
2525	!> Routine is called separately for each chemical species over a loop from
2526	!> prognostic_equations.
2527	!------------------------------------------------------------------------------!
2528	SUBROUTINE chem_prognostic_equations()
2529
2530
2531	INTEGER :: i !< running index
2532	INTEGER :: j !< running index
2533	INTEGER :: k !< running index
2534
2535	INTEGER(iwp) :: ilsp !<
2536
2537
2538	CALL cpu_log( log_point_s(25), 'chem.advec+diff+prog', 'start' )
2539
2540	DO ilsp = 1, nvar
2541	!
2542	!-- Tendency terms for chemical species
2543	tend = 0.0_wp
2544	!
2545	!-- Advection terms
2546	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2547	IF ( ws_scheme_sca ) THEN
2548	CALL advec_s_ws( chem_species(ilsp)%conc, 'kc' )
2549	ELSE
2550	CALL advec_s_pw( chem_species(ilsp)%conc )
2551	ENDIF
2552	ELSE
2553	CALL advec_s_up( chem_species(ilsp)%conc )
2554	ENDIF
2555	!
2556	!-- Diffusion terms (the last three arguments are zero)
2557	CALL diffusion_s( chem_species(ilsp)%conc, &
2558	surf_def_h(0)%cssws(ilsp,:), &
2559	surf_def_h(1)%cssws(ilsp,:), &
2560	surf_def_h(2)%cssws(ilsp,:), &
2561	surf_lsm_h%cssws(ilsp,:), &
2562	surf_usm_h%cssws(ilsp,:), &
2563	surf_def_v(0)%cssws(ilsp,:), &
2564	surf_def_v(1)%cssws(ilsp,:), &
2565	surf_def_v(2)%cssws(ilsp,:), &
2566	surf_def_v(3)%cssws(ilsp,:), &
2567	surf_lsm_v(0)%cssws(ilsp,:), &
2568	surf_lsm_v(1)%cssws(ilsp,:), &
2569	surf_lsm_v(2)%cssws(ilsp,:), &
2570	surf_lsm_v(3)%cssws(ilsp,:), &
2571	surf_usm_v(0)%cssws(ilsp,:), &
2572	surf_usm_v(1)%cssws(ilsp,:), &
2573	surf_usm_v(2)%cssws(ilsp,:), &
2574	surf_usm_v(3)%cssws(ilsp,:) )
2575	!
2576	!-- Prognostic equation for chemical species
2577	DO i = nxl, nxr
2578	DO j = nys, nyn
2579	DO k = nzb+1, nzt
2580	chem_species(ilsp)%conc_p(k,j,i) = chem_species(ilsp)%conc(k,j,i) &
2581	+ ( dt_3d * &
2582	( tsc(2) * tend(k,j,i) &
2583	+ tsc(3) * chem_species(ilsp)%tconc_m(k,j,i) &
2584	) &
2585	- tsc(5) * rdf_sc(k) &
2586	* ( chem_species(ilsp)%conc(k,j,i) - chem_species(ilsp)%conc_pr_init(k) ) &
2587	) &
2588	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2589
2590	IF ( chem_species(ilsp)%conc_p(k,j,i) < 0.0_wp ) THEN
2591	chem_species(ilsp)%conc_p(k,j,i) = 0.1_wp * chem_species(ilsp)%conc(k,j,i)
2592	ENDIF
2593	ENDDO
2594	ENDDO
2595	ENDDO
2596	!
2597	!-- Calculate tendencies for the next Runge-Kutta step
2598	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2599	IF ( intermediate_timestep_count == 1 ) THEN
2600	DO i = nxl, nxr
2601	DO j = nys, nyn
2602	DO k = nzb+1, nzt
2603	chem_species(ilsp)%tconc_m(k,j,i) = tend(k,j,i)
2604	ENDDO
2605	ENDDO
2606	ENDDO
2607	ELSEIF ( intermediate_timestep_count < &
2608	intermediate_timestep_count_max ) THEN
2609	DO i = nxl, nxr
2610	DO j = nys, nyn
2611	DO k = nzb+1, nzt
2612	chem_species(ilsp)%tconc_m(k,j,i) = - 9.5625_wp * tend(k,j,i) &
2613	+ 5.3125_wp * chem_species(ilsp)%tconc_m(k,j,i)
2614	ENDDO
2615	ENDDO
2616	ENDDO
2617	ENDIF
2618	ENDIF
2619
2620	ENDDO
2621
2622	CALL cpu_log( log_point_s(25), 'chem.advec+diff+prog', 'stop' )
2623
2624	END SUBROUTINE chem_prognostic_equations
2625
2626
2627	!------------------------------------------------------------------------------!
2628	! Description:
2629	! ------------
2630	!> Subroutine calculating prognostic equations for chemical species
2631	!> (cache-optimized).
2632	!> Routine is called separately for each chemical species over a loop from
2633	!> prognostic_equations.
2634	!------------------------------------------------------------------------------!
2635	SUBROUTINE chem_prognostic_equations_ij( i, j, i_omp_start, tn )
2636
2637
2638	INTEGER(iwp),INTENT(IN) :: i, j, i_omp_start, tn
2639	INTEGER(iwp) :: ilsp
2640	!
2641	!-- local variables
2642
2643	INTEGER :: k
2644
2645	DO ilsp = 1, nvar
2646	!
2647	!-- Tendency-terms for chem spcs.
2648	tend(:,j,i) = 0.0_wp
2649	!
2650	!-- Advection terms
2651	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2652	IF ( ws_scheme_sca ) THEN
2653	CALL advec_s_ws( i, j, chem_species(ilsp)%conc, 'kc', chem_species(ilsp)%flux_s_cs, &
2654	chem_species(ilsp)%diss_s_cs, chem_species(ilsp)%flux_l_cs, &
2655	chem_species(ilsp)%diss_l_cs, i_omp_start, tn )
2656	ELSE
2657	CALL advec_s_pw( i, j, chem_species(ilsp)%conc )
2658	ENDIF
2659	ELSE
2660	CALL advec_s_up( i, j, chem_species(ilsp)%conc )
2661	ENDIF
2662	!
2663	!-- Diffusion terms (the last three arguments are zero)
2664
2665	CALL diffusion_s( i, j, chem_species(ilsp)%conc, &
2666	surf_def_h(0)%cssws(ilsp,:), surf_def_h(1)%cssws(ilsp,:), &
2667	surf_def_h(2)%cssws(ilsp,:), &
2668	surf_lsm_h%cssws(ilsp,:), surf_usm_h%cssws(ilsp,:), &
2669	surf_def_v(0)%cssws(ilsp,:), surf_def_v(1)%cssws(ilsp,:), &
2670	surf_def_v(2)%cssws(ilsp,:), surf_def_v(3)%cssws(ilsp,:), &
2671	surf_lsm_v(0)%cssws(ilsp,:), surf_lsm_v(1)%cssws(ilsp,:), &
2672	surf_lsm_v(2)%cssws(ilsp,:), surf_lsm_v(3)%cssws(ilsp,:), &
2673	surf_usm_v(0)%cssws(ilsp,:), surf_usm_v(1)%cssws(ilsp,:), &
2674	surf_usm_v(2)%cssws(ilsp,:), surf_usm_v(3)%cssws(ilsp,:) )
2675	!
2676	!-- Prognostic equation for chem spcs
2677	DO k = nzb+1, nzt
2678	chem_species(ilsp)%conc_p(k,j,i) = chem_species(ilsp)%conc(k,j,i) + ( dt_3d * &
2679	( tsc(2) * tend(k,j,i) + &
2680	tsc(3) * chem_species(ilsp)%tconc_m(k,j,i) ) &
2681	- tsc(5) * rdf_sc(k) &
2682	* ( chem_species(ilsp)%conc(k,j,i) - chem_species(ilsp)%conc_pr_init(k) ) &
2683	) &
2684	* MERGE( 1.0_wp, 0.0_wp, &
2685	BTEST( wall_flags_0(k,j,i), 0 ) &
2686	)
2687
2688	IF ( chem_species(ilsp)%conc_p(k,j,i) < 0.0_wp ) THEN
2689	chem_species(ilsp)%conc_p(k,j,i) = 0.1_wp * chem_species(ilsp)%conc(k,j,i) !FKS6
2690	ENDIF
2691	ENDDO
2692	!
2693	!-- Calculate tendencies for the next Runge-Kutta step
2694	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2695	IF ( intermediate_timestep_count == 1 ) THEN
2696	DO k = nzb+1, nzt
2697	chem_species(ilsp)%tconc_m(k,j,i) = tend(k,j,i)
2698	ENDDO
2699	ELSEIF ( intermediate_timestep_count < &
2700	intermediate_timestep_count_max ) THEN
2701	DO k = nzb+1, nzt
2702	chem_species(ilsp)%tconc_m(k,j,i) = -9.5625_wp * tend(k,j,i) + &
2703	5.3125_wp * chem_species(ilsp)%tconc_m(k,j,i)
2704	ENDDO
2705	ENDIF
2706	ENDIF
2707
2708	ENDDO
2709
2710	END SUBROUTINE chem_prognostic_equations_ij
2711
2712
2713	!------------------------------------------------------------------------------!
2714	! Description:
2715	! ------------
2716	!> Subroutine to read restart data of chemical species
2717	!------------------------------------------------------------------------------!
2718	SUBROUTINE chem_rrd_local( k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, &
2719	nxr_on_file, nynf, nync, nyn_on_file, nysf, nysc, &
2720	nys_on_file, tmp_3d, found )
2721
2722	USE control_parameters
2723
2724
2725	CHARACTER (LEN=20) :: spc_name_av !<
2726
2727	INTEGER(iwp) :: lsp !<
2728	INTEGER(iwp) :: k !<
2729	INTEGER(iwp) :: nxlc !<
2730	INTEGER(iwp) :: nxlf !<
2731	INTEGER(iwp) :: nxl_on_file !<
2732	INTEGER(iwp) :: nxrc !<
2733	INTEGER(iwp) :: nxrf !<
2734	INTEGER(iwp) :: nxr_on_file !<
2735	INTEGER(iwp) :: nync !<
2736	INTEGER(iwp) :: nynf !<
2737	INTEGER(iwp) :: nyn_on_file !<
2738	INTEGER(iwp) :: nysc !<
2739	INTEGER(iwp) :: nysf !<
2740	INTEGER(iwp) :: nys_on_file !<
2741
2742	LOGICAL, INTENT(OUT) :: found
2743
2744	REAL(wp), DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !< 3D array to temp store data
2745
2746
2747	found = .FALSE.
2748
2749
2750	IF ( ALLOCATED(chem_species) ) THEN
2751
2752	DO lsp = 1, nspec
2753
2754	!< for time-averaged chemical conc.
2755	spc_name_av = TRIM( chem_species(lsp)%name )//'_av'
2756
2757	IF ( restart_string(1:length) == TRIM( chem_species(lsp)%name) ) &
2758	THEN
2759	!< read data into tmp_3d
2760	IF ( k == 1 ) READ ( 13 ) tmp_3d
2761	!< fill ..%conc in the restart run
2762	chem_species(lsp)%conc(:,nysc-nbgp:nync+nbgp, &
2763	nxlc-nbgp:nxrc+nbgp) = &
2764	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2765	found = .TRUE.
2766	ELSEIF (restart_string(1:length) == spc_name_av ) THEN
2767	IF ( k == 1 ) READ ( 13 ) tmp_3d
2768	chem_species(lsp)%conc_av(:,nysc-nbgp:nync+nbgp, &
2769	nxlc-nbgp:nxrc+nbgp) = &
2770	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2771	found = .TRUE.
2772	ENDIF
2773
2774	ENDDO
2775
2776	ENDIF
2777
2778
2779	END SUBROUTINE chem_rrd_local
2780
2781
2782	!-------------------------------------------------------------------------------!
2783	!> Description:
2784	!> Calculation of horizontally averaged profiles
2785	!> This routine is called for every statistic region (sr) defined by the user,
2786	!> but at least for the region "total domain" (sr=0).
2787	!> quantities.
2788	!-------------------------------------------------------------------------------!
2789	SUBROUTINE chem_statistics( mode, sr, tn )
2790
2791
2792	USE arrays_3d
2793
2794	USE statistics
2795
2796
2797	CHARACTER (LEN=*) :: mode !<
2798
2799	INTEGER(iwp) :: i !< running index on x-axis
2800	INTEGER(iwp) :: j !< running index on y-axis
2801	INTEGER(iwp) :: k !< vertical index counter
2802	INTEGER(iwp) :: sr !< statistical region
2803	INTEGER(iwp) :: tn !< thread number
2804	INTEGER(iwp) :: lpr !< running index chem spcs
2805
2806	IF ( mode == 'profiles' ) THEN
2807	!
2808	!
2809	!-- Sample on how to calculate horizontally averaged profiles of user-
2810	!-- defined quantities. Each quantity is identified by the index
2811	!-- "pr_palm+#" where "#" is an integer starting from 1. These
2812	!-- user-profile-numbers must also be assigned to the respective strings
2813	!-- given by data_output_pr_cs in routine user_check_data_output_pr.
2814	!-- hom(:,:,:,:) = dim-1 = vertical level, dim-2= 1: met-species,2:zu/zw, dim-3 = quantity( e.g.
2815	!-- wpt), dim-4 = statistical region.
2816
2817	!$OMP DO
2818	DO i = nxl, nxr
2819	DO j = nys, nyn
2820	DO k = nzb, nzt+1
2821	DO lpr = 1, cs_pr_count
2822
2823	sums_l(k,pr_palm+max_pr_user+lpr,tn) = sums_l(k,pr_palm+max_pr_user+lpr,tn) + &
2824	chem_species(cs_pr_index(lpr))%conc(k,j,i) * &
2825	rmask(j,i,sr) * &
2826	MERGE( 1.0_wp, 0.0_wp, &
2827	BTEST( wall_flags_0(k,j,i), 22 ) )
2828	ENDDO
2829	ENDDO
2830	ENDDO
2831	ENDDO
2832	ELSEIF ( mode == 'time_series' ) THEN
2833	! @todo
2834	ENDIF
2835
2836	END SUBROUTINE chem_statistics
2837
2838
2839	!------------------------------------------------------------------------------!
2840	! Description:
2841	! ------------
2842	!> Subroutine for swapping of timelevels for chemical species
2843	!> called out from subroutine swap_timelevel
2844	!------------------------------------------------------------------------------!
2845
2846
2847	SUBROUTINE chem_swap_timelevel( level )
2848
2849
2850	INTEGER(iwp), INTENT(IN) :: level
2851	!
2852	!-- local variables
2853	INTEGER(iwp) :: lsp
2854
2855
2856	IF ( level == 0 ) THEN
2857	DO lsp=1, nvar
2858	chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp)
2859	chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp)
2860	ENDDO
2861	ELSE
2862	DO lsp=1, nvar
2863	chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp)
2864	chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp)
2865	ENDDO
2866	ENDIF
2867
2868	RETURN
2869	END SUBROUTINE chem_swap_timelevel
2870
2871
2872	!------------------------------------------------------------------------------!
2873	! Description:
2874	! ------------
2875	!> Subroutine to write restart data for chemistry model
2876	!------------------------------------------------------------------------------!
2877	SUBROUTINE chem_wrd_local
2878
2879
2880	INTEGER(iwp) :: lsp !< running index for chem spcs.
2881
2882	DO lsp = 1, nspec
2883	CALL wrd_write_string( TRIM( chem_species(lsp)%name ) )
2884	WRITE ( 14 ) chem_species(lsp)%conc
2885	CALL wrd_write_string( TRIM( chem_species(lsp)%name )//'_av' )
2886	WRITE ( 14 ) chem_species(lsp)%conc_av
2887	ENDDO
2888
2889	END SUBROUTINE chem_wrd_local
2890
2891
2892	!-------------------------------------------------------------------------------!
2893	! Description:
2894	! ------------
2895	!> Subroutine to calculate the deposition of gases and PMs. For now deposition
2896	!> only takes place on lsm and usm horizontal surfaces. Default surfaces are NOT
2897	!> considered. The deposition of particles is derived following Zhang et al.,
2898	!> 2001, gases are deposited using the DEPAC module (van Zanten et al., 2010).
2899	!>
2900	!> @TODO: Consider deposition on vertical surfaces
2901	!> @TODO: Consider overlaying horizontal surfaces
2902	!> @TODO: Consider resolved vegetation
2903	!> @TODO: Check error messages
2904	!-------------------------------------------------------------------------------!
2905	SUBROUTINE chem_depo( i, j )
2906
2907	USE control_parameters, &
2908	ONLY: dt_3d, intermediate_timestep_count, latitude
2909
2910	USE arrays_3d, &
2911	ONLY: dzw, rho_air_zw
2912
2913	USE date_and_time_mod, &
2914	ONLY: day_of_year
2915
2916	USE surface_mod, &
2917	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_lsm_h, &
2918	surf_type, surf_usm_h
2919
2920	USE radiation_model_mod, &
2921	ONLY: cos_zenith
2922
2923
2924	INTEGER(iwp), INTENT(IN) :: i
2925	INTEGER(iwp), INTENT(IN) :: j
2926	INTEGER(iwp) :: k !< matching k to surface m at i,j
2927	INTEGER(iwp) :: lsp !< running index for chem spcs.
2928	INTEGER(iwp) :: luv_palm !< index of PALM LSM vegetation_type at current surface element
2929	INTEGER(iwp) :: lup_palm !< index of PALM LSM pavement_type at current surface element
2930	INTEGER(iwp) :: luw_palm !< index of PALM LSM water_type at current surface element
2931	INTEGER(iwp) :: luu_palm !< index of PALM USM walls/roofs at current surface element
2932	INTEGER(iwp) :: lug_palm !< index of PALM USM green walls/roofs at current surface element
2933	INTEGER(iwp) :: lud_palm !< index of PALM USM windows at current surface element
2934	INTEGER(iwp) :: luv_dep !< matching DEPAC LU to luv_palm
2935	INTEGER(iwp) :: lup_dep !< matching DEPAC LU to lup_palm
2936	INTEGER(iwp) :: luw_dep !< matching DEPAC LU to luw_palm
2937	INTEGER(iwp) :: luu_dep !< matching DEPAC LU to luu_palm
2938	INTEGER(iwp) :: lug_dep !< matching DEPAC LU to lug_palm
2939	INTEGER(iwp) :: lud_dep !< matching DEPAC LU to lud_palm
2940	INTEGER(iwp) :: m !< index for horizontal surfaces
2941
2942	INTEGER(iwp) :: pspec !< running index
2943	INTEGER(iwp) :: i_pspec !< index for matching depac gas component
2944	!
2945	!-- Vegetation !< Assign PALM classes to DEPAC land use classes
2946	INTEGER(iwp) :: ind_luv_user = 0 !< ERROR as no class given in PALM
2947	INTEGER(iwp) :: ind_luv_b_soil = 1 !< assigned to ilu_desert
2948	INTEGER(iwp) :: ind_luv_mixed_crops = 2 !< assigned to ilu_arable
2949	INTEGER(iwp) :: ind_luv_s_grass = 3 !< assigned to ilu_grass
2950	INTEGER(iwp) :: ind_luv_ev_needle_trees = 4 !< assigned to ilu_coniferous_forest
2951	INTEGER(iwp) :: ind_luv_de_needle_trees = 5 !< assigned to ilu_coniferous_forest
2952	INTEGER(iwp) :: ind_luv_ev_broad_trees = 6 !< assigned to ilu_tropical_forest
2953	INTEGER(iwp) :: ind_luv_de_broad_trees = 7 !< assigned to ilu_deciduous_forest
2954	INTEGER(iwp) :: ind_luv_t_grass = 8 !< assigned to ilu_grass
2955	INTEGER(iwp) :: ind_luv_desert = 9 !< assigned to ilu_desert
2956	INTEGER(iwp) :: ind_luv_tundra = 10 !< assigned to ilu_other
2957	INTEGER(iwp) :: ind_luv_irr_crops = 11 !< assigned to ilu_arable
2958	INTEGER(iwp) :: ind_luv_semidesert = 12 !< assigned to ilu_other
2959	INTEGER(iwp) :: ind_luv_ice = 13 !< assigned to ilu_ice
2960	INTEGER(iwp) :: ind_luv_marsh = 14 !< assigned to ilu_other
2961	INTEGER(iwp) :: ind_luv_ev_shrubs = 15 !< assigned to ilu_mediterrean_scrub
2962	INTEGER(iwp) :: ind_luv_de_shrubs = 16 !< assigned to ilu_mediterrean_scrub
2963	INTEGER(iwp) :: ind_luv_mixed_forest = 17 !< assigned to ilu_coniferous_forest (ave(decid+conif))
2964	INTEGER(iwp) :: ind_luv_intrup_forest = 18 !< assigned to ilu_other (ave(other+decid))
2965	!
2966	!-- Water
2967	INTEGER(iwp) :: ind_luw_user = 0 !< ERROR as no class given in PALM
2968	INTEGER(iwp) :: ind_luw_lake = 1 !< assigned to ilu_water_inland
2969	INTEGER(iwp) :: ind_luw_river = 2 !< assigned to ilu_water_inland
2970	INTEGER(iwp) :: ind_luw_ocean = 3 !< assigned to ilu_water_sea
2971	INTEGER(iwp) :: ind_luw_pond = 4 !< assigned to ilu_water_inland
2972	INTEGER(iwp) :: ind_luw_fountain = 5 !< assigned to ilu_water_inland
2973	!
2974	!-- Pavement
2975	INTEGER(iwp) :: ind_lup_user = 0 !< ERROR as no class given in PALM
2976	INTEGER(iwp) :: ind_lup_asph_conc = 1 !< assigned to ilu_desert
2977	INTEGER(iwp) :: ind_lup_asph = 2 !< assigned to ilu_desert
2978	INTEGER(iwp) :: ind_lup_conc = 3 !< assigned to ilu_desert
2979	INTEGER(iwp) :: ind_lup_sett = 4 !< assigned to ilu_desert
2980	INTEGER(iwp) :: ind_lup_pav_stones = 5 !< assigned to ilu_desert
2981	INTEGER(iwp) :: ind_lup_cobblest = 6 !< assigned to ilu_desert
2982	INTEGER(iwp) :: ind_lup_metal = 7 !< assigned to ilu_desert
2983	INTEGER(iwp) :: ind_lup_wood = 8 !< assigned to ilu_desert
2984	INTEGER(iwp) :: ind_lup_gravel = 9 !< assigned to ilu_desert
2985	INTEGER(iwp) :: ind_lup_f_gravel = 10 !< assigned to ilu_desert
2986	INTEGER(iwp) :: ind_lup_pebblest = 11 !< assigned to ilu_desert
2987	INTEGER(iwp) :: ind_lup_woodchips = 12 !< assigned to ilu_desert
2988	INTEGER(iwp) :: ind_lup_tartan = 13 !< assigned to ilu_desert
2989	INTEGER(iwp) :: ind_lup_art_turf = 14 !< assigned to ilu_desert
2990	INTEGER(iwp) :: ind_lup_clay = 15 !< assigned to ilu_desert
2991	!
2992	!-- Particle parameters according to the respective aerosol classes (PM25, PM10)
2993	INTEGER(iwp) :: ind_p_size = 1 !< index for partsize in particle_pars
2994	INTEGER(iwp) :: ind_p_dens = 2 !< index for rhopart in particle_pars
2995	INTEGER(iwp) :: ind_p_slip = 3 !< index for slipcor in particle_pars
2996
2997	INTEGER(iwp) :: part_type !< index for particle type (PM10 or PM25) in particle_pars
2998
2999	INTEGER(iwp) :: nwet !< wetness indicator dor DEPAC; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
3000
3001	REAL(wp) :: dt_chem !< length of chem time step
3002	REAL(wp) :: dh !< vertical grid size
3003	REAL(wp) :: inv_dh !< inverse of vertical grid size
3004	REAL(wp) :: dt_dh !< dt_chem/dh
3005
3006	REAL(wp) :: dens !< density at layer k at i,j
3007	REAL(wp) :: r_aero_surf !< aerodynamic resistance (s/m) at current surface element
3008	REAL(wp) :: ustar_surf !< ustar at current surface element
3009	REAL(wp) :: z0h_surf !< roughness length for heat at current surface element
3010	REAL(wp) :: solar_rad !< solar radiation, direct and diffuse, at current surface element
3011	REAL(wp) :: ppm2ugm3 !< conversion factor from ppm to ug/m3
3012	REAL(wp) :: rh_surf !< relative humidity at current surface element
3013	REAL(wp) :: lai !< leaf area index at current surface element
3014	REAL(wp) :: sai !< surface area index at current surface element assumed to be lai + 1
3015
3016	REAL(wp) :: slinnfac
3017	REAL(wp) :: visc !< Viscosity
3018	REAL(wp) :: vs !< Sedimentation velocity
3019	REAL(wp) :: vd_lu !< deposition velocity (m/s)
3020	REAL(wp) :: rs !< Sedimentaion resistance (s/m)
3021	REAL(wp) :: rb !< quasi-laminar boundary layer resistance (s/m)
3022	REAL(wp) :: rc_tot !< total canopy resistance (s/m)
3023
3024	REAL(wp) :: conc_ijk_ugm3 !< concentration at i, j, k in ug/m3
3025	REAL(wp) :: diffusivity !< diffusivity
3026
3027
3028	REAL(wp), DIMENSION(nspec) :: bud_luv !< budget for LSM vegetation type at current surface element
3029	REAL(wp), DIMENSION(nspec) :: bud_lup !< budget for LSM pavement type at current surface element
3030	REAL(wp), DIMENSION(nspec) :: bud_luw !< budget for LSM water type at current surface element
3031	REAL(wp), DIMENSION(nspec) :: bud_luu !< budget for USM walls/roofs at current surface element
3032	REAL(wp), DIMENSION(nspec) :: bud_lug !< budget for USM green surfaces at current surface element
3033	REAL(wp), DIMENSION(nspec) :: bud_lud !< budget for USM windows at current surface element
3034	REAL(wp), DIMENSION(nspec) :: bud !< overall budget at current surface element
3035	REAL(wp), DIMENSION(nspec) :: conc_ijk !< concentration at i,j,k
3036	REAL(wp), DIMENSION(nspec) :: ccomp_tot !< total compensation point (ug/m3), for now kept to zero for all species!
3037
3038
3039	REAL(wp) :: temp_tmp !< temperatur at i,j,k
3040	REAL(wp) :: ts !< surface temperatur in degrees celsius
3041	REAL(wp) :: qv_tmp !< surface mixing ratio at current surface element
3042	!
3043	!-- Particle parameters (PM10 (1), PM25 (2))
3044	!-- partsize (diameter in m), rhopart (density in kg/m3), slipcor
3045	!-- (slip correction factor dimensionless, Seinfeld and Pandis 2006, Table 9.3)
3046	REAL(wp), DIMENSION(1:3,1:2), PARAMETER :: particle_pars = RESHAPE( (/ &
3047	8.0e-6_wp, 1.14e3_wp, 1.016_wp, & !< 1
3048	0.7e-6_wp, 1.14e3_wp, 1.082_wp & !< 2
3049	/), (/ 3, 2 /) )
3050
3051	LOGICAL :: match_lsm !< flag indicating natural-type surface
3052	LOGICAL :: match_usm !< flag indicating urban-type surface
3053	!
3054	!-- List of names of possible tracers
3055	CHARACTER(LEN=*), PARAMETER :: pspecnames(nposp) = (/ &
3056	'NO2 ', & !< NO2
3057	'NO ', & !< NO
3058	'O3 ', & !< O3
3059	'CO ', & !< CO
3060	'form ', & !< FORM
3061	'ald ', & !< ALD
3062	'pan ', & !< PAN
3063	'mgly ', & !< MGLY
3064	'par ', & !< PAR
3065	'ole ', & !< OLE
3066	'eth ', & !< ETH
3067	'tol ', & !< TOL
3068	'cres ', & !< CRES
3069	'xyl ', & !< XYL
3070	'SO4a_f ', & !< SO4a_f
3071	'SO2 ', & !< SO2
3072	'HNO2 ', & !< HNO2
3073	'CH4 ', & !< CH4
3074	'NH3 ', & !< NH3
3075	'NO3 ', & !< NO3
3076	'OH ', & !< OH
3077	'HO2 ', & !< HO2
3078	'N2O5 ', & !< N2O5
3079	'SO4a_c ', & !< SO4a_c
3080	'NH4a_f ', & !< NH4a_f
3081	'NO3a_f ', & !< NO3a_f
3082	'NO3a_c ', & !< NO3a_c
3083	'C2O3 ', & !< C2O3
3084	'XO2 ', & !< XO2
3085	'XO2N ', & !< XO2N
3086	'cro ', & !< CRO
3087	'HNO3 ', & !< HNO3
3088	'H2O2 ', & !< H2O2
3089	'iso ', & !< ISO
3090	'ispd ', & !< ISPD
3091	'to2 ', & !< TO2
3092	'open ', & !< OPEN
3093	'terp ', & !< TERP
3094	'ec_f ', & !< EC_f
3095	'ec_c ', & !< EC_c
3096	'pom_f ', & !< POM_f
3097	'pom_c ', & !< POM_c
3098	'ppm_f ', & !< PPM_f
3099	'ppm_c ', & !< PPM_c
3100	'na_ff ', & !< Na_ff
3101	'na_f ', & !< Na_f
3102	'na_c ', & !< Na_c
3103	'na_cc ', & !< Na_cc
3104	'na_ccc ', & !< Na_ccc
3105	'dust_ff ', & !< dust_ff
3106	'dust_f ', & !< dust_f
3107	'dust_c ', & !< dust_c
3108	'dust_cc ', & !< dust_cc
3109	'dust_ccc ', & !< dust_ccc
3110	'tpm10 ', & !< tpm10
3111	'tpm25 ', & !< tpm25
3112	'tss ', & !< tss
3113	'tdust ', & !< tdust
3114	'tc ', & !< tc
3115	'tcg ', & !< tcg
3116	'tsoa ', & !< tsoa
3117	'tnmvoc ', & !< tnmvoc
3118	'SOxa ', & !< SOxa
3119	'NOya ', & !< NOya
3120	'NHxa ', & !< NHxa
3121	'NO2_obs ', & !< NO2_obs
3122	'tpm10_biascorr', & !< tpm10_biascorr
3123	'tpm25_biascorr', & !< tpm25_biascorr
3124	'O3_biascorr ' /) !< o3_biascorr
3125	!
3126	!-- tracer mole mass:
3127	REAL(wp), PARAMETER :: specmolm(nposp) = (/ &
3128	xm_O * 2 + xm_N, & !< NO2
3129	xm_O + xm_N, & !< NO
3130	xm_O * 3, & !< O3
3131	xm_C + xm_O, & !< CO
3132	xm_H * 2 + xm_C + xm_O, & !< FORM
3133	xm_H * 3 + xm_C * 2 + xm_O, & !< ALD
3134	xm_H * 3 + xm_C * 2 + xm_O * 5 + xm_N, & !< PAN
3135	xm_H * 4 + xm_C * 3 + xm_O * 2, & !< MGLY
3136	xm_H * 3 + xm_C, & !< PAR
3137	xm_H * 3 + xm_C * 2, & !< OLE
3138	xm_H * 4 + xm_C * 2, & !< ETH
3139	xm_H * 8 + xm_C * 7, & !< TOL
3140	xm_H * 8 + xm_C * 7 + xm_O, & !< CRES
3141	xm_H * 10 + xm_C * 8, & !< XYL
3142	xm_S + xm_O * 4, & !< SO4a_f
3143	xm_S + xm_O * 2, & !< SO2
3144	xm_H + xm_O * 2 + xm_N, & !< HNO2
3145	xm_H * 4 + xm_C, & !< CH4
3146	xm_H * 3 + xm_N, & !< NH3
3147	xm_O * 3 + xm_N, & !< NO3
3148	xm_H + xm_O, & !< OH
3149	xm_H + xm_O * 2, & !< HO2
3150	xm_O * 5 + xm_N * 2, & !< N2O5
3151	xm_S + xm_O * 4, & !< SO4a_c
3152	xm_H * 4 + xm_N, & !< NH4a_f
3153	xm_O * 3 + xm_N, & !< NO3a_f
3154	xm_O * 3 + xm_N, & !< NO3a_c
3155	xm_C * 2 + xm_O * 3, & !< C2O3
3156	xm_dummy, & !< XO2
3157	xm_dummy, & !< XO2N
3158	xm_dummy, & !< CRO
3159	xm_H + xm_O * 3 + xm_N, & !< HNO3
3160	xm_H * 2 + xm_O * 2, & !< H2O2
3161	xm_H * 8 + xm_C * 5, & !< ISO
3162	xm_dummy, & !< ISPD
3163	xm_dummy, & !< TO2
3164	xm_dummy, & !< OPEN
3165	xm_H * 16 + xm_C * 10, & !< TERP
3166	xm_dummy, & !< EC_f
3167	xm_dummy, & !< EC_c
3168	xm_dummy, & !< POM_f
3169	xm_dummy, & !< POM_c
3170	xm_dummy, & !< PPM_f
3171	xm_dummy, & !< PPM_c
3172	xm_Na, & !< Na_ff
3173	xm_Na, & !< Na_f
3174	xm_Na, & !< Na_c
3175	xm_Na, & !< Na_cc
3176	xm_Na, & !< Na_ccc
3177	xm_dummy, & !< dust_ff
3178	xm_dummy, & !< dust_f
3179	xm_dummy, & !< dust_c
3180	xm_dummy, & !< dust_cc
3181	xm_dummy, & !< dust_ccc
3182	xm_dummy, & !< tpm10
3183	xm_dummy, & !< tpm25
3184	xm_dummy, & !< tss
3185	xm_dummy, & !< tdust
3186	xm_dummy, & !< tc
3187	xm_dummy, & !< tcg
3188	xm_dummy, & !< tsoa
3189	xm_dummy, & !< tnmvoc
3190	xm_dummy, & !< SOxa
3191	xm_dummy, & !< NOya
3192	xm_dummy, & !< NHxa
3193	xm_O * 2 + xm_N, & !< NO2_obs
3194	xm_dummy, & !< tpm10_biascorr
3195	xm_dummy, & !< tpm25_biascorr
3196	xm_O * 3 /) !< o3_biascorr
3197	!
3198	!-- Initialize surface element m
3199	m = 0
3200	k = 0
3201	!
3202	!-- LSM or USM surface present at i,j:
3203	!-- Default surfaces are NOT considered for deposition
3204	match_lsm = surf_lsm_h%start_index(j,i) <= surf_lsm_h%end_index(j,i)
3205	match_usm = surf_usm_h%start_index(j,i) <= surf_usm_h%end_index(j,i)
3206	!
3207	!--For LSM surfaces
3208
3209	IF ( match_lsm ) THEN
3210	!
3211	!-- Get surface element information at i,j:
3212	m = surf_lsm_h%start_index(j,i)
3213	k = surf_lsm_h%k(m)
3214	!
3215	!-- Get needed variables for surface element m
3216	ustar_surf = surf_lsm_h%us(m)
3217	z0h_surf = surf_lsm_h%z0h(m)
3218	r_aero_surf = surf_lsm_h%r_a(m)
3219	solar_rad = surf_lsm_h%rad_sw_dir(m) + surf_lsm_h%rad_sw_dif(m)
3220	lai = surf_lsm_h%lai(m)
3221	sai = lai + 1
3222	!
3223	!-- For small grid spacing neglect R_a
3224	IF ( dzw(k) <= 1.0 ) THEN
3225	r_aero_surf = 0.0_wp
3226	ENDIF
3227	!
3228	!-- Initialize lu's
3229	luv_palm = 0
3230	luv_dep = 0
3231	lup_palm = 0
3232	lup_dep = 0
3233	luw_palm = 0
3234	luw_dep = 0
3235	!
3236	!-- Initialize budgets
3237	bud_luv = 0.0_wp
3238	bud_lup = 0.0_wp
3239	bud_luw = 0.0_wp
3240	!
3241	!-- Get land use for i,j and assign to DEPAC lu
3242	IF ( surf_lsm_h%frac(ind_veg_wall,m) > 0 ) THEN
3243	luv_palm = surf_lsm_h%vegetation_type(m)
3244	IF ( luv_palm == ind_luv_user ) THEN
3245	message_string = 'No vegetation type defined. Please define vegetation type to enable deposition calculation'
3246	CALL message( 'chem_depo', 'CM0451', 1, 2, 0, 6, 0 )
3247	ELSEIF ( luv_palm == ind_luv_b_soil ) THEN
3248	luv_dep = 9
3249	ELSEIF ( luv_palm == ind_luv_mixed_crops ) THEN
3250	luv_dep = 2
3251	ELSEIF ( luv_palm == ind_luv_s_grass ) THEN
3252	luv_dep = 1
3253	ELSEIF ( luv_palm == ind_luv_ev_needle_trees ) THEN
3254	luv_dep = 4
3255	ELSEIF ( luv_palm == ind_luv_de_needle_trees ) THEN
3256	luv_dep = 4
3257	ELSEIF ( luv_palm == ind_luv_ev_broad_trees ) THEN
3258	luv_dep = 12
3259	ELSEIF ( luv_palm == ind_luv_de_broad_trees ) THEN
3260	luv_dep = 5
3261	ELSEIF ( luv_palm == ind_luv_t_grass ) THEN
3262	luv_dep = 1
3263	ELSEIF ( luv_palm == ind_luv_desert ) THEN
3264	luv_dep = 9
3265	ELSEIF ( luv_palm == ind_luv_tundra ) THEN
3266	luv_dep = 8
3267	ELSEIF ( luv_palm == ind_luv_irr_crops ) THEN
3268	luv_dep = 2
3269	ELSEIF ( luv_palm == ind_luv_semidesert ) THEN
3270	luv_dep = 8
3271	ELSEIF ( luv_palm == ind_luv_ice ) THEN
3272	luv_dep = 10
3273	ELSEIF ( luv_palm == ind_luv_marsh ) THEN
3274	luv_dep = 8
3275	ELSEIF ( luv_palm == ind_luv_ev_shrubs ) THEN
3276	luv_dep = 14
3277	ELSEIF ( luv_palm == ind_luv_de_shrubs ) THEN
3278	luv_dep = 14
3279	ELSEIF ( luv_palm == ind_luv_mixed_forest ) THEN
3280	luv_dep = 4
3281	ELSEIF ( luv_palm == ind_luv_intrup_forest ) THEN
3282	luv_dep = 8
3283	ENDIF
3284	ENDIF
3285
3286	IF ( surf_lsm_h%frac(ind_pav_green,m) > 0 ) THEN
3287	lup_palm = surf_lsm_h%pavement_type(m)
3288	IF ( lup_palm == ind_lup_user ) THEN
3289	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3290	CALL message( 'chem_depo', 'CM0452', 1, 2, 0, 6, 0 )
3291	ELSEIF ( lup_palm == ind_lup_asph_conc ) THEN
3292	lup_dep = 9
3293	ELSEIF ( lup_palm == ind_lup_asph ) THEN
3294	lup_dep = 9
3295	ELSEIF ( lup_palm == ind_lup_conc ) THEN
3296	lup_dep = 9
3297	ELSEIF ( lup_palm == ind_lup_sett ) THEN
3298	lup_dep = 9
3299	ELSEIF ( lup_palm == ind_lup_pav_stones ) THEN
3300	lup_dep = 9
3301	ELSEIF ( lup_palm == ind_lup_cobblest ) THEN
3302	lup_dep = 9
3303	ELSEIF ( lup_palm == ind_lup_metal ) THEN
3304	lup_dep = 9
3305	ELSEIF ( lup_palm == ind_lup_wood ) THEN
3306	lup_dep = 9
3307	ELSEIF ( lup_palm == ind_lup_gravel ) THEN
3308	lup_dep = 9
3309	ELSEIF ( lup_palm == ind_lup_f_gravel ) THEN
3310	lup_dep = 9
3311	ELSEIF ( lup_palm == ind_lup_pebblest ) THEN
3312	lup_dep = 9
3313	ELSEIF ( lup_palm == ind_lup_woodchips ) THEN
3314	lup_dep = 9
3315	ELSEIF ( lup_palm == ind_lup_tartan ) THEN
3316	lup_dep = 9
3317	ELSEIF ( lup_palm == ind_lup_art_turf ) THEN
3318	lup_dep = 9
3319	ELSEIF ( lup_palm == ind_lup_clay ) THEN
3320	lup_dep = 9
3321	ENDIF
3322	ENDIF
3323
3324	IF ( surf_lsm_h%frac(ind_wat_win,m) > 0 ) THEN
3325	luw_palm = surf_lsm_h%water_type(m)
3326	IF ( luw_palm == ind_luw_user ) THEN
3327	message_string = 'No water type defined. Please define water type to enable deposition calculation'
3328	CALL message( 'chem_depo', 'CM0453', 1, 2, 0, 6, 0 )
3329	ELSEIF ( luw_palm == ind_luw_lake ) THEN
3330	luw_dep = 13
3331	ELSEIF ( luw_palm == ind_luw_river ) THEN
3332	luw_dep = 13
3333	ELSEIF ( luw_palm == ind_luw_ocean ) THEN
3334	luw_dep = 6
3335	ELSEIF ( luw_palm == ind_luw_pond ) THEN
3336	luw_dep = 13
3337	ELSEIF ( luw_palm == ind_luw_fountain ) THEN
3338	luw_dep = 13
3339	ENDIF
3340	ENDIF
3341	!
3342	!-- Set wetness indicator to dry or wet for lsm vegetation or pavement
3343	IF ( surf_lsm_h%c_liq(m) > 0 ) THEN
3344	nwet = 1
3345	ELSE
3346	nwet = 0
3347	ENDIF
3348	!
3349	!-- Compute length of time step
3350	IF ( call_chem_at_all_substeps ) THEN
3351	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
3352	ELSE
3353	dt_chem = dt_3d
3354	ENDIF
3355
3356	dh = dzw(k)
3357	inv_dh = 1.0_wp / dh
3358	dt_dh = dt_chem/dh
3359	!
3360	!-- Concentration at i,j,k
3361	DO lsp = 1, nspec
3362	conc_ijk(lsp) = chem_species(lsp)%conc(k,j,i)
3363	ENDDO
3364
3365	!-- Temperature at i,j,k
3366	temp_tmp = pt(k,j,i) * ( hyp(k) / 100000.0_wp )**0.286_wp
3367
3368	ts = temp_tmp - 273.15 !< in degrees celcius
3369	!
3370	!-- Viscosity of air
3371	visc = 1.496e-6 * temp_tmp**1.5 / (temp_tmp + 120.0)
3372	!
3373	!-- Air density at k
3374	dens = rho_air_zw(k)
3375	!
3376	!-- Calculate relative humidity from specific humidity for DEPAC
3377	qv_tmp = MAX(q(k,j,i),0.0_wp)
3378	rh_surf = relativehumidity_from_specifichumidity(qv_tmp, temp_tmp, hyp(k) )
3379	!
3380	!-- Check if surface fraction (vegetation, pavement or water) > 0 and calculate vd and budget
3381	!-- for each surface fraction. Then derive overall budget taking into account the surface fractions.
3382	!
3383	!-- Vegetation
3384	IF ( surf_lsm_h%frac(ind_veg_wall,m) > 0 ) THEN
3385
3386	!
3387	!-- No vegetation on bare soil, desert or ice:
3388	IF ( ( luv_palm == ind_luv_b_soil ) .OR. &
3389	( luv_palm == ind_luv_desert ) .OR. &
3390	( luv_palm == ind_luv_ice ) ) THEN
3391
3392	lai = 0.0_wp
3393	sai = 0.0_wp
3394
3395	ENDIF
3396
3397	slinnfac = 1.0_wp
3398	!
3399	!-- Get deposition velocity vd
3400	DO lsp = 1, nvar
3401	!
3402	!-- Initialize
3403	vs = 0.0_wp
3404	vd_lu = 0.0_wp
3405	rs = 0.0_wp
3406	rb = 0.0_wp
3407	rc_tot = 0.0_wp
3408	IF ( spc_names(lsp) == 'PM10' ) THEN
3409	part_type = 1
3410	!
3411	!-- Sedimentation velocity
3412	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3413	particle_pars(ind_p_size, part_type), &
3414	particle_pars(ind_p_slip, part_type), &
3415	visc)
3416
3417	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
3418	vs, &
3419	particle_pars(ind_p_size, part_type), &
3420	particle_pars(ind_p_slip, part_type), &
3421	nwet, temp_tmp, dens, visc, &
3422	luv_dep, &
3423	r_aero_surf, ustar_surf )
3424
3425	bud_luv(lsp) = - conc_ijk(lsp) * &
3426	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3427
3428
3429	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3430	part_type = 2
3431	!
3432	!-- Sedimentation velocity
3433	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3434	particle_pars(ind_p_size, part_type), &
3435	particle_pars(ind_p_slip, part_type), &
3436	visc)
3437
3438	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
3439	vs, &
3440	particle_pars(ind_p_size, part_type), &
3441	particle_pars(ind_p_slip, part_type), &
3442	nwet, temp_tmp, dens, visc, &
3443	luv_dep , &
3444	r_aero_surf, ustar_surf )
3445
3446	bud_luv(lsp) = - conc_ijk(lsp) * &
3447	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3448
3449	ELSE !< GASES
3450	!
3451	!-- Read spc_name of current species for gas parameter
3452	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
3453	i_pspec = 0
3454	DO pspec = 1, nposp
3455	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3456	i_pspec = pspec
3457	END IF
3458	ENDDO
3459
3460	ELSE
3461	!
3462	!-- For now species not deposited
3463	CYCLE
3464	ENDIF
3465	!
3466	!-- Factor used for conversion from ppb to ug/m3 :
3467	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3468	!-- (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3469	!-- c 1e-9 xm_tracer 1e9 / xm_air dens
3470	!-- thus:
3471	!-- c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3472	!-- Use density at k:
3473
3474	ppm2ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3475	!
3476	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3477	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3478	conc_ijk_ugm3 = conc_ijk(lsp) * ppm2ugm3 * specmolm(i_pspec) ! in ug/m3
3479	!
3480	!-- Diffusivity for DEPAC relevant gases
3481	!-- Use default value
3482	diffusivity = 0.11e-4
3483	!
3484	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3485	IF ( spc_names(lsp) == 'NO2' ) diffusivity = 0.136e-4
3486	IF ( spc_names(lsp) == 'NO' ) diffusivity = 0.199e-4
3487	IF ( spc_names(lsp) == 'O3' ) diffusivity = 0.144e-4
3488	IF ( spc_names(lsp) == 'CO' ) diffusivity = 0.176e-4
3489	IF ( spc_names(lsp) == 'SO2' ) diffusivity = 0.112e-4
3490	IF ( spc_names(lsp) == 'CH4' ) diffusivity = 0.191e-4
3491	IF ( spc_names(lsp) == 'NH3' ) diffusivity = 0.191e-4
3492	!
3493	!-- Get quasi-laminar boundary layer resistance rb:
3494	CALL get_rb_cell( (luv_dep == ilu_water_sea) .OR. (luv_dep == ilu_water_inland), &
3495	z0h_surf, ustar_surf, diffusivity, &
3496	rb )
3497	!
3498	!-- Get rc_tot
3499	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_surf, solar_rad, cos_zenith, &
3500	rh_surf, lai, sai, nwet, luv_dep, 2, rc_tot, ccomp_tot(lsp), hyp(nzb), conc_ijk_ugm3, diffusivity, &
3501	r_aero_surf , rb )
3502	!
3503	!-- Calculate budget
3504	IF ( rc_tot <= 0.0 ) THEN
3505
3506	bud_luv(lsp) = 0.0_wp
3507
3508	ELSE
3509
3510	vd_lu = 1.0_wp / (r_aero_surf + rb + rc_tot )
3511
3512	bud_luv(lsp) = - (conc_ijk(lsp) - ccomp_tot(lsp)) * &
3513	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3514	ENDIF
3515
3516	ENDIF
3517	ENDDO
3518	ENDIF
3519	!
3520	!-- Pavement
3521	IF ( surf_lsm_h%frac(ind_pav_green,m) > 0 ) THEN
3522	!
3523	!-- No vegetation on pavements:
3524	lai = 0.0_wp
3525	sai = 0.0_wp
3526
3527	slinnfac = 1.0_wp
3528	!
3529	!-- Get vd
3530	DO lsp = 1, nvar
3531	!
3532	!-- Initialize
3533	vs = 0.0_wp
3534	vd_lu = 0.0_wp
3535	rs = 0.0_wp
3536	rb = 0.0_wp
3537	rc_tot = 0.0_wp
3538	IF ( spc_names(lsp) == 'PM10' ) THEN
3539	part_type = 1
3540	!
3541	!-- Sedimentation velocity:
3542	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3543	particle_pars(ind_p_size, part_type), &
3544	particle_pars(ind_p_slip, part_type), &
3545	visc)
3546
3547	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
3548	vs, &
3549	particle_pars(ind_p_size, part_type), &
3550	particle_pars(ind_p_slip, part_type), &
3551	nwet, temp_tmp, dens, visc, &
3552	lup_dep, &
3553	r_aero_surf, ustar_surf )
3554
3555	bud_lup(lsp) = - conc_ijk(lsp) * &
3556	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3557
3558
3559	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3560	part_type = 2
3561	!
3562	!-- Sedimentation velocity:
3563	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3564	particle_pars(ind_p_size, part_type), &
3565	particle_pars(ind_p_slip, part_type), &
3566	visc)
3567
3568	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
3569	vs, &
3570	particle_pars(ind_p_size, part_type), &
3571	particle_pars(ind_p_slip, part_type), &
3572	nwet, temp_tmp, dens, visc, &
3573	lup_dep, &
3574	r_aero_surf, ustar_surf )
3575
3576	bud_lup(lsp) = - conc_ijk(lsp) * &
3577	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3578
3579	ELSE !<GASES
3580	!
3581	!-- Read spc_name of current species for gas parameter
3582
3583	IF ( ANY(pspecnames(:) == spc_names(lsp) ) ) THEN
3584	i_pspec = 0
3585	DO pspec = 1, nposp
3586	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3587	i_pspec = pspec
3588	END IF
3589	ENDDO
3590
3591	ELSE
3592	!
3593	!-- For now species not deposited
3594	CYCLE
3595	ENDIF
3596	!
3597	!-- Factor used for conversion from ppb to ug/m3 :
3598	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3599	!-- (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3600	!-- c 1e-9 xm_tracer 1e9 / xm_air dens
3601	!-- thus:
3602	!-- c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3603	!-- Use density at lowest layer:
3604
3605	ppm2ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3606	!
3607	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3608	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3609	conc_ijk_ugm3 = conc_ijk(lsp) * ppm2ugm3 * specmolm(i_pspec) ! in ug/m3
3610	!
3611	!-- Diffusivity for DEPAC relevant gases
3612	!-- Use default value
3613	diffusivity = 0.11e-4
3614	!
3615	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3616	IF ( spc_names(lsp) == 'NO2' ) diffusivity = 0.136e-4
3617	IF ( spc_names(lsp) == 'NO' ) diffusivity = 0.199e-4
3618	IF ( spc_names(lsp) == 'O3' ) diffusivity = 0.144e-4
3619	IF ( spc_names(lsp) == 'CO' ) diffusivity = 0.176e-4
3620	IF ( spc_names(lsp) == 'SO2' ) diffusivity = 0.112e-4
3621	IF ( spc_names(lsp) == 'CH4' ) diffusivity = 0.191e-4
3622	IF ( spc_names(lsp) == 'NH3' ) diffusivity = 0.191e-4
3623	!
3624	!-- Get quasi-laminar boundary layer resistance rb:
3625	CALL get_rb_cell( (lup_dep == ilu_water_sea) .OR. (lup_dep == ilu_water_inland), &
3626	z0h_surf, ustar_surf, diffusivity, rb )
3627	!
3628	!-- Get rc_tot
3629	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_surf, &
3630	solar_rad, cos_zenith, rh_surf, lai, sai, nwet, lup_dep, 2, &
3631	rc_tot, ccomp_tot(lsp), hyp(nzb), conc_ijk_ugm3, diffusivity, &
3632	r_aero_surf , rb )
3633	!
3634	!-- Calculate budget
3635	IF ( rc_tot <= 0.0 ) THEN
3636	bud_lup(lsp) = 0.0_wp
3637	ELSE
3638	vd_lu = 1.0_wp / (r_aero_surf + rb + rc_tot )
3639	bud_lup(lsp) = - (conc_ijk(lsp) - ccomp_tot(lsp)) * &
3640	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3641	ENDIF
3642
3643	ENDIF
3644	ENDDO
3645	ENDIF
3646	!
3647	!-- Water
3648	IF ( surf_lsm_h%frac(ind_wat_win,m) > 0 ) THEN
3649	!
3650	!-- No vegetation on water:
3651	lai = 0.0_wp
3652	sai = 0.0_wp
3653	slinnfac = 1.0_wp
3654	!
3655	!-- Get vd
3656	DO lsp = 1, nvar
3657	!
3658	!-- Initialize
3659	vs = 0.0_wp
3660	vd_lu = 0.0_wp
3661	rs = 0.0_wp
3662	rb = 0.0_wp
3663	rc_tot = 0.0_wp
3664	IF ( spc_names(lsp) == 'PM10' ) THEN
3665	part_type = 1
3666	!
3667	!-- Sedimentation velocity:
3668	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3669	particle_pars(ind_p_size, part_type), &
3670	particle_pars(ind_p_slip, part_type), &
3671	visc)
3672
3673	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
3674	vs, &
3675	particle_pars(ind_p_size, part_type), &
3676	particle_pars(ind_p_slip, part_type), &
3677	nwet, temp_tmp, dens, visc, &
3678	luw_dep, &
3679	r_aero_surf, ustar_surf )
3680
3681	bud_luw(lsp) = - conc_ijk(lsp) * &
3682	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3683
3684	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3685	part_type = 2
3686	!
3687	!-- Sedimentation velocity:
3688	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3689	particle_pars(ind_p_size, part_type), &
3690	particle_pars(ind_p_slip, part_type), &
3691	visc)
3692
3693	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
3694	vs, &
3695	particle_pars(ind_p_size, part_type), &
3696	particle_pars(ind_p_slip, part_type), &
3697	nwet, temp_tmp, dens, visc, &
3698	luw_dep, &
3699	r_aero_surf, ustar_surf )
3700
3701	bud_luw(lsp) = - conc_ijk(lsp) * &
3702	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3703
3704	ELSE !<GASES
3705	!
3706	!-- Read spc_name of current species for gas PARAMETER
3707
3708	IF ( ANY(pspecnames(:) == spc_names(lsp) ) ) THEN
3709	i_pspec = 0
3710	DO pspec = 1, nposp
3711	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3712	i_pspec = pspec
3713	END IF
3714	ENDDO
3715
3716	ELSE
3717	!
3718	!-- For now species not deposited
3719	CYCLE
3720	ENDIF
3721	!
3722	!-- Factor used for conversion from ppb to ug/m3 :
3723	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3724	!-- (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3725	!-- c 1e-9 xm_tracer 1e9 / xm_air dens
3726	!-- thus:
3727	!-- c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3728	!-- Use density at lowest layer:
3729
3730	ppm2ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3731	!
3732	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3733	!-- ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3734	conc_ijk_ugm3 = conc_ijk(lsp) * ppm2ugm3 * specmolm(i_pspec) ! in ug/m3
3735	!
3736	!-- Diffusivity for DEPAC relevant gases
3737	!-- Use default value
3738	diffusivity = 0.11e-4
3739	!
3740	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3741	IF ( spc_names(lsp) == 'NO2' ) diffusivity = 0.136e-4
3742	IF ( spc_names(lsp) == 'NO' ) diffusivity = 0.199e-4
3743	IF ( spc_names(lsp) == 'O3' ) diffusivity = 0.144e-4
3744	IF ( spc_names(lsp) == 'CO' ) diffusivity = 0.176e-4
3745	IF ( spc_names(lsp) == 'SO2' ) diffusivity = 0.112e-4
3746	IF ( spc_names(lsp) == 'CH4' ) diffusivity = 0.191e-4
3747	IF ( spc_names(lsp) == 'NH3' ) diffusivity = 0.191e-4
3748	!
3749	!-- Get quasi-laminar boundary layer resistance rb:
3750	CALL get_rb_cell( (luw_dep == ilu_water_sea) .OR. (luw_dep == ilu_water_inland), &
3751	z0h_surf, ustar_surf, diffusivity, rb )
3752
3753	!-- Get rc_tot
3754	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_surf, &
3755	solar_rad, cos_zenith, rh_surf, lai, sai, nwet, luw_dep, 2, &
3756	rc_tot, ccomp_tot(lsp), hyp(nzb), conc_ijk_ugm3, diffusivity, &
3757	r_aero_surf , rb )
3758	!
3759	!-- Calculate budget
3760	IF ( rc_tot <= 0.0 ) THEN
3761
3762	bud_luw(lsp) = 0.0_wp
3763
3764	ELSE
3765
3766	vd_lu = 1.0_wp / (r_aero_surf + rb + rc_tot )
3767
3768	bud_luw(lsp) = - (conc_ijk(lsp) - ccomp_tot(lsp)) * &
3769	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3770	ENDIF
3771
3772	ENDIF
3773	ENDDO
3774	ENDIF
3775
3776
3777	bud = 0.0_wp
3778	!
3779	!-- Calculate overall budget for surface m and adapt concentration
3780	DO lsp = 1, nspec
3781
3782	bud(lsp) = surf_lsm_h%frac(ind_veg_wall,m) * bud_luv(lsp) + &
3783	surf_lsm_h%frac(ind_pav_green,m) * bud_lup(lsp) + &
3784	surf_lsm_h%frac(ind_wat_win,m) * bud_luw(lsp)
3785	!
3786	!-- Compute new concentration:
3787	conc_ijk(lsp) = conc_ijk(lsp) + bud(lsp) * inv_dh
3788
3789	chem_species(lsp)%conc(k,j,i) = MAX(0.0_wp, conc_ijk(lsp))
3790
3791	ENDDO
3792
3793	ENDIF
3794	!
3795	!-- For USM surfaces
3796
3797	IF ( match_usm ) THEN
3798	!
3799	!-- Get surface element information at i,j:
3800	m = surf_usm_h%start_index(j,i)
3801	k = surf_usm_h%k(m)
3802	!
3803	!-- Get needed variables for surface element m
3804	ustar_surf = surf_usm_h%us(m)
3805	z0h_surf = surf_usm_h%z0h(m)
3806	r_aero_surf = surf_usm_h%r_a(m)
3807	solar_rad = surf_usm_h%rad_sw_dir(m) + surf_usm_h%rad_sw_dif(m)
3808	lai = surf_usm_h%lai(m)
3809	sai = lai + 1
3810	!
3811	!-- For small grid spacing neglect R_a
3812	IF ( dzw(k) <= 1.0 ) THEN
3813	r_aero_surf = 0.0_wp
3814	ENDIF
3815	!
3816	!-- Initialize lu's
3817	luu_palm = 0
3818	luu_dep = 0
3819	lug_palm = 0
3820	lug_dep = 0
3821	lud_palm = 0
3822	lud_dep = 0
3823	!
3824	!-- Initialize budgets
3825	bud_luu = 0.0_wp
3826	bud_lug = 0.0_wp
3827	bud_lud = 0.0_wp
3828	!
3829	!-- Get land use for i,j and assign to DEPAC lu
3830	IF ( surf_usm_h%frac(ind_pav_green,m) > 0 ) THEN
3831	!
3832	!-- For green urban surfaces (e.g. green roofs
3833	!-- assume LU short grass
3834	lug_palm = ind_luv_s_grass
3835	IF ( lug_palm == ind_luv_user ) THEN
3836	message_string = 'No vegetation type defined. Please define vegetation type to enable deposition calculation'
3837	CALL message( 'chem_depo', 'CM0454', 1, 2, 0, 6, 0 )
3838	ELSEIF ( lug_palm == ind_luv_b_soil ) THEN
3839	lug_dep = 9
3840	ELSEIF ( lug_palm == ind_luv_mixed_crops ) THEN
3841	lug_dep = 2
3842	ELSEIF ( lug_palm == ind_luv_s_grass ) THEN
3843	lug_dep = 1
3844	ELSEIF ( lug_palm == ind_luv_ev_needle_trees ) THEN
3845	lug_dep = 4
3846	ELSEIF ( lug_palm == ind_luv_de_needle_trees ) THEN
3847	lug_dep = 4
3848	ELSEIF ( lug_palm == ind_luv_ev_broad_trees ) THEN
3849	lug_dep = 12
3850	ELSEIF ( lug_palm == ind_luv_de_broad_trees ) THEN
3851	lug_dep = 5
3852	ELSEIF ( lug_palm == ind_luv_t_grass ) THEN
3853	lug_dep = 1
3854	ELSEIF ( lug_palm == ind_luv_desert ) THEN
3855	lug_dep = 9
3856	ELSEIF ( lug_palm == ind_luv_tundra ) THEN
3857	lug_dep = 8
3858	ELSEIF ( lug_palm == ind_luv_irr_crops ) THEN
3859	lug_dep = 2
3860	ELSEIF ( lug_palm == ind_luv_semidesert ) THEN
3861	lug_dep = 8
3862	ELSEIF ( lug_palm == ind_luv_ice ) THEN
3863	lug_dep = 10
3864	ELSEIF ( lug_palm == ind_luv_marsh ) THEN
3865	lug_dep = 8
3866	ELSEIF ( lug_palm == ind_luv_ev_shrubs ) THEN
3867	lug_dep = 14
3868	ELSEIF ( lug_palm == ind_luv_de_shrubs ) THEN
3869	lug_dep = 14
3870	ELSEIF ( lug_palm == ind_luv_mixed_forest ) THEN
3871	lug_dep = 4
3872	ELSEIF ( lug_palm == ind_luv_intrup_forest ) THEN
3873	lug_dep = 8
3874	ENDIF
3875	ENDIF
3876
3877	IF ( surf_usm_h%frac(ind_veg_wall,m) > 0 ) THEN
3878	!
3879	!-- For walls in USM assume concrete walls/roofs,
3880	!-- assumed LU class desert as also assumed for
3881	!-- pavements in LSM
3882	luu_palm = ind_lup_conc
3883	IF ( luu_palm == ind_lup_user ) THEN
3884	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3885	CALL message( 'chem_depo', 'CM0455', 1, 2, 0, 6, 0 )
3886	ELSEIF ( luu_palm == ind_lup_asph_conc ) THEN
3887	luu_dep = 9
3888	ELSEIF ( luu_palm == ind_lup_asph ) THEN
3889	luu_dep = 9
3890	ELSEIF ( luu_palm == ind_lup_conc ) THEN
3891	luu_dep = 9
3892	ELSEIF ( luu_palm == ind_lup_sett ) THEN
3893	luu_dep = 9
3894	ELSEIF ( luu_palm == ind_lup_pav_stones ) THEN
3895	luu_dep = 9
3896	ELSEIF ( luu_palm == ind_lup_cobblest ) THEN
3897	luu_dep = 9
3898	ELSEIF ( luu_palm == ind_lup_metal ) THEN
3899	luu_dep = 9
3900	ELSEIF ( luu_palm == ind_lup_wood ) THEN
3901	luu_dep = 9
3902	ELSEIF ( luu_palm == ind_lup_gravel ) THEN
3903	luu_dep = 9
3904	ELSEIF ( luu_palm == ind_lup_f_gravel ) THEN
3905	luu_dep = 9
3906	ELSEIF ( luu_palm == ind_lup_pebblest ) THEN
3907	luu_dep = 9
3908	ELSEIF ( luu_palm == ind_lup_woodchips ) THEN
3909	luu_dep = 9
3910	ELSEIF ( luu_palm == ind_lup_tartan ) THEN
3911	luu_dep = 9
3912	ELSEIF ( luu_palm == ind_lup_art_turf ) THEN
3913	luu_dep = 9
3914	ELSEIF ( luu_palm == ind_lup_clay ) THEN
3915	luu_dep = 9
3916	ENDIF
3917	ENDIF
3918
3919	IF ( surf_usm_h%frac(ind_wat_win,m) > 0 ) THEN
3920	!
3921	!-- For windows in USM assume metal as this is
3922	!-- as close as we get, assumed LU class desert
3923	!-- as also assumed for pavements in LSM
3924	lud_palm = ind_lup_metal
3925	IF ( lud_palm == ind_lup_user ) THEN
3926	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3927	CALL message( 'chem_depo', 'CM0456', 1, 2, 0, 6, 0 )
3928	ELSEIF ( lud_palm == ind_lup_asph_conc ) THEN
3929	lud_dep = 9
3930	ELSEIF ( lud_palm == ind_lup_asph ) THEN
3931	lud_dep = 9
3932	ELSEIF ( lud_palm == ind_lup_conc ) THEN
3933	lud_dep = 9
3934	ELSEIF ( lud_palm == ind_lup_sett ) THEN
3935	lud_dep = 9
3936	ELSEIF ( lud_palm == ind_lup_pav_stones ) THEN
3937	lud_dep = 9
3938	ELSEIF ( lud_palm == ind_lup_cobblest ) THEN
3939	lud_dep = 9
3940	ELSEIF ( lud_palm == ind_lup_metal ) THEN
3941	lud_dep = 9
3942	ELSEIF ( lud_palm == ind_lup_wood ) THEN
3943	lud_dep = 9
3944	ELSEIF ( lud_palm == ind_lup_gravel ) THEN
3945	lud_dep = 9
3946	ELSEIF ( lud_palm == ind_lup_f_gravel ) THEN
3947	lud_dep = 9
3948	ELSEIF ( lud_palm == ind_lup_pebblest ) THEN
3949	lud_dep = 9
3950	ELSEIF ( lud_palm == ind_lup_woodchips ) THEN
3951	lud_dep = 9
3952	ELSEIF ( lud_palm == ind_lup_tartan ) THEN
3953	lud_dep = 9
3954	ELSEIF ( lud_palm == ind_lup_art_turf ) THEN
3955	lud_dep = 9
3956	ELSEIF ( lud_palm == ind_lup_clay ) THEN
3957	lud_dep = 9
3958	ENDIF
3959	ENDIF
3960	!
3961	!-- @TODO: Activate these lines as soon as new ebsolver branch is merged:
3962	!-- Set wetness indicator to dry or wet for usm vegetation or pavement
3963	!IF ( surf_usm_h%c_liq(m) > 0 ) THEN
3964	! nwet = 1
3965	!ELSE
3966	nwet = 0
3967	!ENDIF
3968	!
3969	!-- Compute length of time step
3970	IF ( call_chem_at_all_substeps ) THEN
3971	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
3972	ELSE
3973	dt_chem = dt_3d
3974	ENDIF
3975
3976	dh = dzw(k)
3977	inv_dh = 1.0_wp / dh
3978	dt_dh = dt_chem/dh
3979	!
3980	!-- Concentration at i,j,k
3981	DO lsp = 1, nspec
3982	conc_ijk(lsp) = chem_species(lsp)%conc(k,j,i)
3983	ENDDO
3984	!
3985	!-- Temperature at i,j,k
3986	temp_tmp = pt(k,j,i) * ( hyp(k) / 100000.0_wp )**0.286_wp
3987
3988	ts = temp_tmp - 273.15 !< in degrees celcius
3989	!
3990	!-- Viscosity of air
3991	visc = 1.496e-6 * temp_tmp**1.5 / (temp_tmp + 120.0)
3992	!
3993	!-- Air density at k
3994	dens = rho_air_zw(k)
3995	!
3996	!-- Calculate relative humidity from specific humidity for DEPAC
3997	qv_tmp = MAX(q(k,j,i),0.0_wp)
3998	rh_surf = relativehumidity_from_specifichumidity(qv_tmp, temp_tmp, hyp(k) )
3999	!
4000	!-- Check if surface fraction (vegetation, pavement or water) > 0 and calculate vd and budget
4001	!-- for each surface fraction. Then derive overall budget taking into account the surface fractions.
4002	!
4003	!-- Walls/roofs
4004	IF ( surf_usm_h%frac(ind_veg_wall,m) > 0 ) THEN
4005	!
4006	!-- No vegetation on non-green walls:
4007	lai = 0.0_wp
4008	sai = 0.0_wp
4009
4010	slinnfac = 1.0_wp
4011	!
4012	!-- Get vd
4013	DO lsp = 1, nvar
4014	!
4015	!-- Initialize
4016	vs = 0.0_wp
4017	vd_lu = 0.0_wp
4018	rs = 0.0_wp
4019	rb = 0.0_wp
4020	rc_tot = 0.0_wp
4021	IF (spc_names(lsp) == 'PM10' ) THEN
4022	part_type = 1
4023	!
4024	!-- Sedimentation velocity
4025	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4026	particle_pars(ind_p_size, part_type), &
4027	particle_pars(ind_p_slip, part_type), &
4028	visc)
4029
4030	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
4031	vs, &
4032	particle_pars(ind_p_size, part_type), &
4033	particle_pars(ind_p_slip, part_type), &
4034	nwet, temp_tmp, dens, visc, &
4035	luu_dep, &
4036	r_aero_surf, ustar_surf )
4037
4038	bud_luu(lsp) = - conc_ijk(lsp) * &
4039	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4040
4041	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4042	part_type = 2
4043	!
4044	!-- Sedimentation velocity
4045	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4046	particle_pars(ind_p_size, part_type), &
4047	particle_pars(ind_p_slip, part_type), &
4048	visc)
4049
4050	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
4051	vs, &
4052	particle_pars(ind_p_size, part_type), &
4053	particle_pars(ind_p_slip, part_type), &
4054	nwet, temp_tmp, dens, visc, &
4055	luu_dep , &
4056	r_aero_surf, ustar_surf )
4057
4058	bud_luu(lsp) = - conc_ijk(lsp) * &
4059	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4060
4061	ELSE !< GASES
4062	!
4063	!-- Read spc_name of current species for gas parameter
4064
4065	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4066	i_pspec = 0
4067	DO pspec = 1, nposp
4068	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4069	i_pspec = pspec
4070	END IF
4071	ENDDO
4072	ELSE
4073	!
4074	!-- For now species not deposited
4075	CYCLE
4076	ENDIF
4077	!
4078	!-- Factor used for conversion from ppb to ug/m3 :
4079	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4080	!-- (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4081	!-- c 1e-9 xm_tracer 1e9 / xm_air dens
4082	!-- thus:
4083	!-- c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4084	!-- Use density at k:
4085
4086	ppm2ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
4087
4088	!
4089	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4090	!-- ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4091	conc_ijk_ugm3 = conc_ijk(lsp) * ppm2ugm3 * specmolm(i_pspec) ! in ug/m3
4092	!
4093	!-- Diffusivity for DEPAC relevant gases
4094	!-- Use default value
4095	diffusivity = 0.11e-4
4096	!
4097	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4098	IF ( spc_names(lsp) == 'NO2' ) diffusivity = 0.136e-4
4099	IF ( spc_names(lsp) == 'NO' ) diffusivity = 0.199e-4
4100	IF ( spc_names(lsp) == 'O3' ) diffusivity = 0.144e-4
4101	IF ( spc_names(lsp) == 'CO' ) diffusivity = 0.176e-4
4102	IF ( spc_names(lsp) == 'SO2' ) diffusivity = 0.112e-4
4103	IF ( spc_names(lsp) == 'CH4' ) diffusivity = 0.191e-4
4104	IF ( spc_names(lsp) == 'NH3' ) diffusivity = 0.191e-4
4105	!
4106	!-- Get quasi-laminar boundary layer resistance rb:
4107	CALL get_rb_cell( (luu_dep == ilu_water_sea) .OR. (luu_dep == ilu_water_inland), &
4108	z0h_surf, ustar_surf, diffusivity, &
4109	rb )
4110	!
4111	!-- Get rc_tot
4112	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_surf, &
4113	solar_rad, cos_zenith, rh_surf, lai, sai, nwet, luu_dep, 2, &
4114	rc_tot, ccomp_tot(lsp), hyp(nzb), conc_ijk_ugm3, diffusivity, &
4115	r_aero_surf, rb )
4116	!
4117	!-- Calculate budget
4118	IF ( rc_tot <= 0.0 ) THEN
4119
4120	bud_luu(lsp) = 0.0_wp
4121
4122	ELSE
4123
4124	vd_lu = 1.0_wp / (r_aero_surf + rb + rc_tot )
4125
4126	bud_luu(lsp) = - (conc_ijk(lsp) - ccomp_tot(lsp)) * &
4127	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4128	ENDIF
4129
4130	ENDIF
4131	ENDDO
4132	ENDIF
4133	!
4134	!-- Green usm surfaces
4135	IF ( surf_usm_h%frac(ind_pav_green,m) > 0 ) THEN
4136
4137	!
4138	!-- No vegetation on bare soil, desert or ice:
4139	IF ( ( lug_palm == ind_luv_b_soil ) .OR. &
4140	( lug_palm == ind_luv_desert ) .OR. &
4141	( lug_palm == ind_luv_ice ) ) THEN
4142
4143	lai = 0.0_wp
4144	sai = 0.0_wp
4145
4146	ENDIF
4147
4148
4149	slinnfac = 1.0_wp
4150	!
4151	!-- Get vd
4152	DO lsp = 1, nvar
4153	!
4154	!-- Initialize
4155	vs = 0.0_wp
4156	vd_lu = 0.0_wp
4157	rs = 0.0_wp
4158	rb = 0.0_wp
4159	rc_tot = 0.0_wp
4160	IF ( spc_names(lsp) == 'PM10' ) THEN
4161	part_type = 1
4162	!
4163	!-- Sedimentation velocity
4164	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4165	particle_pars(ind_p_size, part_type), &
4166	particle_pars(ind_p_slip, part_type), &
4167	visc)
4168
4169	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
4170	vs, &
4171	particle_pars(ind_p_size, part_type), &
4172	particle_pars(ind_p_slip, part_type), &
4173	nwet, temp_tmp, dens, visc, &
4174	lug_dep, &
4175	r_aero_surf, ustar_surf )
4176
4177	bud_lug(lsp) = - conc_ijk(lsp) * &
4178	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4179
4180	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4181	part_type = 2
4182	!
4183	!-- Sedimentation velocity
4184	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4185	particle_pars(ind_p_size, part_type), &
4186	particle_pars(ind_p_slip, part_type), &
4187	visc)
4188
4189	CALL drydepo_aero_zhang_vd( vd_lu, rs, &
4190	vs, &
4191	particle_pars(ind_p_size, part_type), &
4192	particle_pars(ind_p_slip, part_type), &
4193	nwet, temp_tmp, dens, visc, &
4194	lug_dep, &
4195	r_aero_surf, ustar_surf )
4196
4197	bud_lug(lsp) = - conc_ijk(lsp) * &
4198	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4199
4200	ELSE !< GASES
4201	!
4202	!-- Read spc_name of current species for gas parameter
4203
4204	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4205	i_pspec = 0
4206	DO pspec = 1, nposp
4207	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4208	i_pspec = pspec
4209	END IF
4210	ENDDO
4211	ELSE
4212	!
4213	!-- For now species not deposited
4214	CYCLE
4215	ENDIF
4216	!
4217	!-- Factor used for conversion from ppb to ug/m3 :
4218	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4219	!-- (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4220	!-- c 1e-9 xm_tracer 1e9 / xm_air dens
4221	!-- thus:
4222	!-- c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4223	!-- Use density at k:
4224
4225	ppm2ugm3 = (dens/xm_air) * 0.001_wp ! (mole air)/m3
4226	!
4227	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4228	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4229	conc_ijk_ugm3 = conc_ijk(lsp) * ppm2ugm3 * specmolm(i_pspec) ! in ug/m3
4230	!
4231	!-- Diffusivity for DEPAC relevant gases
4232	!-- Use default value
4233	diffusivity = 0.11e-4
4234	!
4235	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4236	IF ( spc_names(lsp) == 'NO2' ) diffusivity = 0.136e-4
4237	IF ( spc_names(lsp) == 'NO' ) diffusivity = 0.199e-4
4238	IF ( spc_names(lsp) == 'O3' ) diffusivity = 0.144e-4
4239	IF ( spc_names(lsp) == 'CO' ) diffusivity = 0.176e-4
4240	IF ( spc_names(lsp) == 'SO2' ) diffusivity = 0.112e-4
4241	IF ( spc_names(lsp) == 'CH4' ) diffusivity = 0.191e-4
4242	IF ( spc_names(lsp) == 'NH3' ) diffusivity = 0.191e-4
4243	!
4244	!-- Get quasi-laminar boundary layer resistance rb:
4245	CALL get_rb_cell( (lug_dep == ilu_water_sea) .OR. (lug_dep == ilu_water_inland), &
4246	z0h_surf, ustar_surf, diffusivity, &
4247	rb )
4248	!
4249	!-- Get rc_tot
4250	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_surf, &
4251	solar_rad, cos_zenith, rh_surf, lai, sai, nwet, lug_dep, 2, &
4252	rc_tot, ccomp_tot(lsp), hyp(nzb), conc_ijk_ugm3, diffusivity, &
4253	r_aero_surf , rb )
4254	!
4255	!-- Calculate budget
4256	IF ( rc_tot <= 0.0 ) THEN
4257
4258	bud_lug(lsp) = 0.0_wp
4259
4260	ELSE
4261
4262	vd_lu = 1.0_wp / (r_aero_surf + rb + rc_tot )
4263
4264	bud_lug(lsp) = - (conc_ijk(lsp) - ccomp_tot(lsp)) * &
4265	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4266	ENDIF
4267
4268	ENDIF
4269	ENDDO
4270	ENDIF
4271	!
4272	!-- Windows
4273	IF ( surf_usm_h%frac(ind_wat_win,m) > 0 ) THEN
4274	!
4275	!-- No vegetation on windows:
4276	lai = 0.0_wp
4277	sai = 0.0_wp
4278
4279	slinnfac = 1.0_wp
4280	!
4281	!-- Get vd
4282	DO lsp = 1, nvar
4283	!
4284	!-- Initialize
4285	vs = 0.0_wp
4286	vd_lu = 0.0_wp
4287	rs = 0.0_wp
4288	rb = 0.0_wp
4289	rc_tot = 0.0_wp
4290	IF ( spc_names(lsp) == 'PM10' ) THEN
4291	part_type = 1
4292	!
4293	!-- Sedimentation velocity
4294	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4295	particle_pars(ind_p_size, part_type), &
4296	particle_pars(ind_p_slip, part_type), &
4297	visc)
4298
4299	CALL drydepo_aero_zhang_vd( vd_lu, rs, vs, &
4300	particle_pars(ind_p_size, part_type), &
4301	particle_pars(ind_p_slip, part_type), &
4302	nwet, temp_tmp, dens, visc, &
4303	lud_dep, r_aero_surf, ustar_surf )
4304
4305	bud_lud(lsp) = - conc_ijk(lsp) * &
4306	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4307
4308	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4309	part_type = 2
4310	!
4311	!-- Sedimentation velocity
4312	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4313	particle_pars(ind_p_size, part_type), &
4314	particle_pars(ind_p_slip, part_type), &
4315	visc)
4316
4317	CALL drydepo_aero_zhang_vd( vd_lu, rs, vs, &
4318	particle_pars(ind_p_size, part_type), &
4319	particle_pars(ind_p_slip, part_type), &
4320	nwet, temp_tmp, dens, visc, &
4321	lud_dep, &
4322	r_aero_surf, ustar_surf )
4323
4324	bud_lud(lsp) = - conc_ijk(lsp) * &
4325	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4326
4327	ELSE !< GASES
4328	!
4329	!-- Read spc_name of current species for gas PARAMETER
4330
4331	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4332	i_pspec = 0
4333	DO pspec = 1, nposp
4334	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4335	i_pspec = pspec
4336	END IF
4337	ENDDO
4338	ELSE
4339	!
4340	!-- For now species not deposited
4341	CYCLE
4342	ENDIF
4343	!
4344	!-- Factor used for conversion from ppb to ug/m3 :
4345	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4346	!-- (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4347	!-- c 1e-9 xm_tracer 1e9 / xm_air dens
4348	!-- thus:
4349	!-- c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4350	!-- Use density at k:
4351
4352	ppm2ugm3 = (dens/xm_air) * 0.001_wp ! (mole air)/m3
4353	!
4354	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4355	!-- ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4356	conc_ijk_ugm3 = conc_ijk(lsp) * ppm2ugm3 * specmolm(i_pspec) ! in ug/m3
4357	!
4358	!-- Diffusivity for DEPAC relevant gases
4359	!-- Use default value
4360	diffusivity = 0.11e-4
4361	!
4362	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4363	IF ( spc_names(lsp) == 'NO2' ) diffusivity = 0.136e-4
4364	IF ( spc_names(lsp) == 'NO' ) diffusivity = 0.199e-4
4365	IF ( spc_names(lsp) == 'O3' ) diffusivity = 0.144e-4
4366	IF ( spc_names(lsp) == 'CO' ) diffusivity = 0.176e-4
4367	IF ( spc_names(lsp) == 'SO2' ) diffusivity = 0.112e-4
4368	IF ( spc_names(lsp) == 'CH4' ) diffusivity = 0.191e-4
4369	IF ( spc_names(lsp) == 'NH3' ) diffusivity = 0.191e-4
4370	!
4371	!-- Get quasi-laminar boundary layer resistance rb:
4372	CALL get_rb_cell( (lud_dep == ilu_water_sea) .OR. (lud_dep == ilu_water_inland), &
4373	z0h_surf, ustar_surf, diffusivity, rb )
4374	!
4375	!-- Get rc_tot
4376	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_surf, &
4377	solar_rad, cos_zenith, rh_surf, lai, sai, nwet, lud_dep, 2, &
4378	rc_tot, ccomp_tot(lsp), hyp(nzb), conc_ijk_ugm3, diffusivity, &
4379	r_aero_surf , rb )
4380	!
4381	!-- Calculate budget
4382	IF ( rc_tot <= 0.0 ) THEN
4383
4384	bud_lud(lsp) = 0.0_wp
4385
4386	ELSE
4387
4388	vd_lu = 1.0_wp / (r_aero_surf + rb + rc_tot )
4389
4390	bud_lud(lsp) = - (conc_ijk(lsp) - ccomp_tot(lsp)) * &
4391	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4392	ENDIF
4393
4394	ENDIF
4395	ENDDO
4396	ENDIF
4397
4398
4399	bud = 0.0_wp
4400	!
4401	!-- Calculate overall budget for surface m and adapt concentration
4402	DO lsp = 1, nspec
4403
4404
4405	bud(lsp) = surf_usm_h%frac(ind_veg_wall,m) * bud_luu(lsp) + &
4406	surf_usm_h%frac(ind_pav_green,m) * bud_lug(lsp) + &
4407	surf_usm_h%frac(ind_wat_win,m) * bud_lud(lsp)
4408	!
4409	!-- Compute new concentration
4410	conc_ijk(lsp) = conc_ijk(lsp) + bud(lsp) * inv_dh
4411
4412	chem_species(lsp)%conc(k,j,i) = MAX( 0.0_wp, conc_ijk(lsp) )
4413
4414	ENDDO
4415
4416	ENDIF
4417
4418
4419	END SUBROUTINE chem_depo
4420
4421
4422	!------------------------------------------------------------------------------!
4423	! Description:
4424	! ------------
4425	!> Subroutine to compute total canopy (or surface) resistance Rc for gases
4426	!>
4427	!> DEPAC:
4428	!> Code of the DEPAC routine and corresponding subroutines below from the DEPAC
4429	!> module of the LOTOS-EUROS model (Manders et al., 2017)
4430	!>
4431	!> Original DEPAC routines by RIVM and TNO (2015), for Documentation see
4432	!> van Zanten et al., 2010.
4433	!------------------------------------------------------------------------------!
4434	SUBROUTINE drydepos_gas_depac( compnam, day_of_year, lat, t, ust, solar_rad, sinphi, &
4435	rh, lai, sai, nwet, lu, iratns, rc_tot, ccomp_tot, p, conc_ijk_ugm3, diffusivity, &
4436	ra, rb )
4437	!
4438	!-- Some of depac arguments are OPTIONAL:
4439	!-- A. compute Rc_tot without compensation points (ccomp_tot will be zero):
4440	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi])
4441	!-- B. compute Rc_tot with compensation points (used for LOTOS-EUROS):
4442	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4443	!-- c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water)
4444	!--
4445	!-- C. compute effective Rc based on compensation points (used for OPS):
4446	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4447	!-- c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4448	!-- ra, rb, rc_eff)
4449	!-- X1. Extra (OPTIONAL) output variables:
4450	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4451	!-- c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4452	!-- ra, rb, rc_eff, &
4453	!-- gw_out, gstom_out, gsoil_eff_out, cw_out, cstom_out, csoil_out, lai_out, sai_out)
4454	!-- X2. Extra (OPTIONAL) needed for stomatal ozone flux calculation (only sunlit leaves):
4455	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4456	!-- c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4457	!-- ra, rb, rc_eff, &
4458	!-- gw_out, gstom_out, gsoil_eff_out, cw_out, cstom_out, csoil_out, lai_out, sai_out, &
4459	!-- calc_stom_o3flux, frac_sto_o3_lu, fac_surface_area_2_PLA)
4460
4461
4462	CHARACTER(LEN=*), INTENT(IN) :: compnam !< component name
4463	!< 'HNO3','NO','NO2','O3','SO2','NH3'
4464	INTEGER(iwp), INTENT(IN) :: day_of_year !< day of year, 1 ... 365 (366)
4465	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4466	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4467	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio used for SO2:
4468	!< iratns = 1: low NH3/SO2
4469	!< iratns = 2: high NH3/SO2
4470	!< iratns = 3: very low NH3/SO2
4471	REAL(wp), INTENT(IN) :: lat !< latitude Northern hemisphere (degrees) (S. hemisphere not possible)
4472	REAL(wp), INTENT(IN) :: t !< temperature (C)
4473	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
4474	REAL(wp), INTENT(IN) :: solar_rad !< solar radiation, dirict+diffuse (W/m2)
4475	REAL(wp), INTENT(IN) :: sinphi !< sin of solar elevation angle
4476	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4477	REAL(wp), INTENT(IN) :: lai !< one-sidedleaf area index (-)
4478	REAL(wp), INTENT(IN) :: sai !< surface area index (-) (lai + branches and stems)
4479	REAL(wp), INTENT(IN) :: diffusivity !< diffusivity
4480	REAL(wp), INTENT(IN) :: p !< pressure (Pa)
4481	REAL(wp), INTENT(IN) :: conc_ijk_ugm3 !< actual atmospheric concentration (ug/m3), in DEPAC=Catm
4482	REAL(wp), INTENT(IN) :: ra !< aerodynamic resistance (s/m)
4483	REAL(wp), INTENT(IN) :: rb !< boundary layer resistance (s/m)
4484
4485	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
4486	REAL(wp), INTENT(OUT) :: ccomp_tot !< total compensation point (ug/m3)
4487	! !< [= 0 for species that don't have a compensation
4488	!-- Local variables:
4489	!
4490	!-- Component number taken from component name, paramteres matched with include files
4491	INTEGER(iwp) :: icmp
4492	!
4493	!-- Component numbers:
4494	INTEGER(iwp), PARAMETER :: icmp_o3 = 1
4495	INTEGER(iwp), PARAMETER :: icmp_so2 = 2
4496	INTEGER(iwp), PARAMETER :: icmp_no2 = 3
4497	INTEGER(iwp), PARAMETER :: icmp_no = 4
4498	INTEGER(iwp), PARAMETER :: icmp_nh3 = 5
4499	INTEGER(iwp), PARAMETER :: icmp_co = 6
4500	INTEGER(iwp), PARAMETER :: icmp_no3 = 7
4501	INTEGER(iwp), PARAMETER :: icmp_hno3 = 8
4502	INTEGER(iwp), PARAMETER :: icmp_n2o5 = 9
4503	INTEGER(iwp), PARAMETER :: icmp_h2o2 = 10
4504
4505	LOGICAL :: ready !< Rc has been set:
4506	!< = 1 -> constant Rc
4507	!< = 2 -> temperature dependent Rc
4508	!
4509	!-- Vegetation indicators:
4510	LOGICAL :: lai_present !< leaves are present for current land use type
4511	LOGICAL :: sai_present !< vegetation is present for current land use type
4512
4513	! REAL(wp) :: laimax !< maximum leaf area index (-)
4514	REAL(wp) :: gw !< external leaf conductance (m/s)
4515	REAL(wp) :: gstom !< stomatal conductance (m/s)
4516	REAL(wp) :: gsoil_eff !< effective soil conductance (m/s)
4517	REAL(wp) :: gc_tot !< total canopy conductance (m/s)
4518	REAL(wp) :: cw !< external leaf surface compensation point (ug/m3)
4519	REAL(wp) :: cstom !< stomatal compensation point (ug/m3)
4520	REAL(wp) :: csoil !< soil compensation point (ug/m3)
4521	!
4522	!-- Next statement is just to avoid compiler warning about unused variable
4523	IF ( day_of_year == 0 .OR. ( conc_ijk_ugm3 + lat + ra + rb ) > 0.0_wp ) CONTINUE
4524	!
4525	!-- Define component number
4526	SELECT CASE ( TRIM( compnam ) )
4527
4528	CASE ( 'O3', 'o3' )
4529	icmp = icmp_o3
4530
4531	CASE ( 'SO2', 'so2' )
4532	icmp = icmp_so2
4533
4534	CASE ( 'NO2', 'no2' )
4535	icmp = icmp_no2
4536
4537	CASE ( 'NO', 'no' )
4538	icmp = icmp_no
4539
4540	CASE ( 'NH3', 'nh3' )
4541	icmp = icmp_nh3
4542
4543	CASE ( 'CO', 'co' )
4544	icmp = icmp_co
4545
4546	CASE ( 'NO3', 'no3' )
4547	icmp = icmp_no3
4548
4549	CASE ( 'HNO3', 'hno3' )
4550	icmp = icmp_hno3
4551
4552	CASE ( 'N2O5', 'n2o5' )
4553	icmp = icmp_n2o5
4554
4555	CASE ( 'H2O2', 'h2o2' )
4556	icmp = icmp_h2o2
4557
4558	CASE default
4559	!
4560	!-- Component not part of DEPAC --> not deposited
4561	RETURN
4562
4563	END SELECT
4564
4565	!
4566	!-- Inititalize
4567	gw = 0.0_wp
4568	gstom = 0.0_wp
4569	gsoil_eff = 0.0_wp
4570	gc_tot = 0.0_wp
4571	cw = 0.0_wp
4572	cstom = 0.0_wp
4573	csoil = 0.0_wp
4574	!
4575	!-- Check whether vegetation is present:
4576	lai_present = ( lai > 0.0 )
4577	sai_present = ( sai > 0.0 )
4578	!
4579	!-- Set Rc (i.e. rc_tot) in special cases:
4580	CALL rc_special( icmp, compnam, lu, t, nwet, rc_tot, ready, ccomp_tot )
4581	!
4582	!-- If Rc is not set:
4583	IF ( .NOT. ready ) then
4584	!
4585	!-- External conductance:
4586	CALL rc_gw( compnam, iratns, t, rh, nwet, sai_present, sai,gw )
4587	!
4588	!-- Stomatal conductance:
4589	CALL rc_gstom( icmp, compnam, lu, lai_present, lai, solar_rad, sinphi, t, rh, diffusivity, gstom, p )
4590	!
4591	!-- Effective soil conductance:
4592	CALL rc_gsoil_eff( icmp, lu, sai, ust, nwet, t, gsoil_eff )
4593	!
4594	!-- Total canopy conductance (gc_tot) and resistance Rc (rc_tot):
4595	CALL rc_rctot( gstom, gsoil_eff, gw, gc_tot, rc_tot )
4596	!
4597	!-- Needed to include compensation point for NH3
4598	!-- Compensation points (always returns ccomp_tot; currently ccomp_tot != 0 only for NH3):
4599	!-- CALL rc_comp_point( compnam,lu,day_of_year,t,gw,gstom,gsoil_eff,gc_tot,&
4600	!-- lai_present, sai_present, &
4601	!-- ccomp_tot, &
4602	!-- conc_ijk_ugm3=conc_ijk_ugm3,c_ave_prev_nh3=c_ave_prev_nh3, &
4603	!-- c_ave_prev_so2=c_ave_prev_so2,gamma_soil_water=gamma_soil_water, &
4604	!-- tsea=tsea,cw=cw,cstom=cstom,csoil=csoil )
4605	!
4606	!-- Effective Rc based on compensation points:
4607	!-- IF ( present(rc_eff) ) then
4608	!-- check on required arguments:
4609	!-- IF ( (.not. present(conc_ijk_ugm3)) .OR. (.not. present(ra)) .OR. (.not. present(rb)) ) then
4610	!-- stop 'output argument rc_eff requires input arguments conc_ijk_ugm3, ra and rb'
4611	!-- END IF
4612	!
4613	!-- Compute rc_eff :
4614	! CALL rc_comp_point_rc_eff(ccomp_tot,conc_ijk_ugm3,ra,rb,rc_tot,rc_eff)
4615	! ENDIF
4616	ENDIF
4617
4618	END SUBROUTINE drydepos_gas_depac
4619
4620
4621	!------------------------------------------------------------------------------!
4622	! Description:
4623	! ------------
4624	!> Subroutine to compute total canopy resistance in special cases
4625	!------------------------------------------------------------------------------!
4626	SUBROUTINE rc_special( icmp, compnam, lu, t, nwet, rc_tot, ready, ccomp_tot )
4627
4628
4629	CHARACTER(LEN=*), INTENT(IN) :: compnam !< component name
4630
4631	INTEGER(iwp), INTENT(IN) :: icmp !< component index
4632	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4633	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4634
4635	REAL(wp), INTENT(IN) :: t !< temperature (C)
4636
4637	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
4638	REAL(wp), INTENT(OUT) :: ccomp_tot !< total compensation point (ug/m3)
4639
4640	LOGICAL, INTENT(OUT) :: ready !< Rc has been set
4641	!< = 1 -> constant Rc
4642	!
4643	!-- Next line is to avoid compiler warning about unused variable
4644	IF ( icmp == 0 ) CONTINUE
4645	!
4646	!-- rc_tot is not yet set:
4647	ready = .FALSE.
4648	!
4649	!-- Default compensation point in special CASEs = 0:
4650	ccomp_tot = 0.0_wp
4651
4652	SELECT CASE( TRIM( compnam ) )
4653	CASE( 'HNO3', 'N2O5', 'NO3', 'H2O2' )
4654	!
4655	!-- No separate resistances for HNO3; just one total canopy resistance:
4656	IF ( t < -5.0_wp .AND. nwet == 9 ) THEN
4657	!
4658	!-- T < 5 C and snow:
4659	rc_tot = 50.0_wp
4660	ELSE
4661	!
4662	!-- all other circumstances:
4663	rc_tot = 10.0_wp
4664	ENDIF
4665	ready = .TRUE.
4666
4667	CASE( 'NO', 'CO' )
4668	IF ( lu == ilu_water_sea .OR. lu == ilu_water_inland ) THEN ! water
4669	rc_tot = 2000.0_wp
4670	ready = .TRUE.
4671	ELSEIF ( nwet == 1 ) THEN !< wet
4672	rc_tot = 2000.0_wp
4673	ready = .TRUE.
4674	ENDIF
4675	CASE( 'NO2', 'O3', 'SO2', 'NH3' )
4676	!
4677	!-- snow surface:
4678	IF ( nwet == 9 ) THEN
4679	!
4680	!-- To be activated when snow is implemented
4681	!CALL rc_snow(ipar_snow(icmp),t,rc_tot)
4682	ready = .TRUE.
4683	ENDIF
4684	CASE default
4685	message_string = 'Component '// TRIM( compnam ) // ' not supported'
4686	CALL message( 'rc_special', 'CM0457', 1, 2, 0, 6, 0 )
4687	END SELECT
4688
4689	END SUBROUTINE rc_special
4690
4691
4692	!------------------------------------------------------------------------------!
4693	! Description:
4694	! ------------
4695	!> Subroutine to compute external conductance
4696	!------------------------------------------------------------------------------!
4697	SUBROUTINE rc_gw( compnam, iratns, t, rh, nwet, sai_present, sai, gw )
4698
4699	!
4700	!-- Input/output variables:
4701	CHARACTER(LEN=*), INTENT(IN) :: compnam !< component name
4702
4703	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4704	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio;
4705	!< iratns = 1: low NH3/SO2
4706	!< iratns = 2: high NH3/SO2
4707	!< iratns = 3: very low NH3/SO2
4708	LOGICAL, INTENT(IN) :: sai_present
4709
4710	REAL(wp), INTENT(IN) :: t !< temperature (C)
4711	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4712	REAL(wp), INTENT(IN) :: sai !< one-sided leaf area index (-)
4713
4714	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4715
4716	SELECT CASE( TRIM( compnam ) )
4717
4718	CASE( 'NO2' )
4719	CALL rw_constant( 2000.0_wp, sai_present, gw )
4720
4721	CASE( 'NO', 'CO' )
4722	CALL rw_constant( -9999.0_wp, sai_present, gw ) !< see Erisman et al, 1994 section 3.2.3
4723
4724	CASE( 'O3' )
4725	CALL rw_constant( 2500.0_wp, sai_present, gw )
4726
4727	CASE( 'SO2' )
4728	CALL rw_so2( t, nwet, rh, iratns, sai_present, gw )
4729
4730	CASE( 'NH3' )
4731	CALL rw_nh3_sutton( t, rh, sai_present, gw )
4732	!
4733	!-- conversion from leaf resistance to canopy resistance by multiplying with sai:
4734	gw = sai * gw
4735
4736	CASE default
4737	message_string = 'Component '// TRIM( compnam ) // ' not supported'
4738	CALL message( 'rc_gw', 'CM0458', 1, 2, 0, 6, 0 )
4739	END SELECT
4740
4741	END SUBROUTINE rc_gw
4742
4743
4744	!------------------------------------------------------------------------------!
4745	! Description:
4746	! ------------
4747	!> Subroutine to compute external leaf conductance for SO2
4748	!------------------------------------------------------------------------------!
4749	SUBROUTINE rw_so2( t, nwet, rh, iratns, sai_present, gw )
4750
4751	!
4752	!-- Input/output variables:
4753	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4754	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio:
4755	!< iratns = 1: low NH3/SO2
4756	!< iratns = 2: high NH3/SO2
4757	!< iratns = 3: very low NH3/SO2
4758	LOGICAL, INTENT(IN) :: sai_present
4759
4760	REAL(wp), INTENT(IN) :: t !< temperature (C)
4761	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4762
4763	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4764	!
4765	!-- Local variables:
4766	REAL(wp) :: rw !< external leaf resistance (s/m)
4767	!
4768	!-- Check if vegetation present:
4769	IF ( sai_present ) THEN
4770
4771	IF ( nwet == 0 ) THEN
4772	!
4773	!-- ------------------------
4774	!-- dry surface
4775	!-- ------------------------
4776	!-- T > -1 C
4777	IF ( t > -1.0_wp ) THEN
4778	IF ( rh < 81.3_wp ) THEN
4779	rw = 25000.0_wp * exp( -0.0693_wp * rh )
4780	ELSE
4781	rw = 0.58e12 * exp( -0.278_wp * rh ) + 10.0_wp
4782	ENDIF
4783	ELSE
4784	! -5 C < T <= -1 C
4785	IF ( t > -5.0_wp ) THEN
4786	rw = 200.0_wp
4787	ELSE
4788	! T <= -5 C
4789	rw = 500.0_wp
4790	ENDIF
4791	ENDIF
4792	ELSE
4793	!
4794	!-- ------------------------
4795	!-- wet surface
4796	!-- ------------------------
4797	rw = 10.0_wp !see Table 5, Erisman et al, 1994 Atm. Environment, 0 is impl. as 10
4798	ENDIF
4799	!
4800	!-- very low NH3/SO2 ratio:
4801	IF ( iratns == iratns_very_low ) rw = rw + 50.0_wp
4802	!
4803	!-- Conductance:
4804	gw = 1.0_wp / rw
4805	ELSE
4806	!
4807	!-- no vegetation:
4808	gw = 0.0_wp
4809	ENDIF
4810
4811	END SUBROUTINE rw_so2
4812
4813
4814	!------------------------------------------------------------------------------!
4815	! Description:
4816	! ------------
4817	!> Subroutine to compute external leaf conductance for NH3,
4818	!> following Sutton & Fowler, 1993
4819	!------------------------------------------------------------------------------!
4820	SUBROUTINE rw_nh3_sutton( tsurf, rh,sai_present, gw )
4821
4822	!
4823	!-- Input/output variables:
4824	LOGICAL, INTENT(IN) :: sai_present
4825
4826	REAL(wp), INTENT(IN) :: tsurf !< surface temperature (C)
4827	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4828
4829	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4830	!
4831	!-- Local variables:
4832	REAL(wp) :: rw !< external leaf resistance (s/m)
4833	REAL(wp) :: sai_grass_haarweg !< surface area index at experimental site Haarweg
4834	!
4835	!-- Fix sai_grass at value valid for Haarweg data for which gamma_w parametrization is derived
4836	sai_grass_haarweg = 3.5_wp
4837	!
4838	!-- Calculation rw:
4839	!-- 100 - rh
4840	!-- rw = 2.0 * exp(----------)
4841	!-- 12
4842
4843	IF ( sai_present ) THEN
4844	!
4845	!-- External resistance according to Sutton & Fowler, 1993
4846	rw = 2.0_wp * exp( ( 100.0_wp - rh ) / 12.0_wp )
4847	rw = sai_grass_haarweg * rw
4848	!
4849	!-- Frozen soil (from Depac v1):
4850	IF ( tsurf < 0.0_wp ) rw = 200.0_wp
4851	!
4852	!-- Conductance:
4853	gw = 1.0_wp / rw
4854	ELSE
4855	! no vegetation:
4856	gw = 0.0_wp
4857	ENDIF
4858
4859	END SUBROUTINE rw_nh3_sutton
4860
4861
4862	!------------------------------------------------------------------------------!
4863	! Description:
4864	! ------------
4865	!> Subroutine to compute external leaf conductance
4866	!------------------------------------------------------------------------------!
4867	SUBROUTINE rw_constant( rw_val, sai_present, gw )
4868
4869	!
4870	!-- Input/output variables:
4871	LOGICAL, INTENT(IN) :: sai_present
4872
4873	REAL(wp), INTENT(IN) :: rw_val !< constant value of Rw
4874
4875	REAL(wp), INTENT(OUT) :: gw !< wernal leaf conductance (m/s)
4876	!
4877	!-- Compute conductance:
4878	IF ( sai_present .AND. .NOT.missing(rw_val) ) THEN
4879	gw = 1.0_wp / rw_val
4880	ELSE
4881	gw = 0.0_wp
4882	ENDIF
4883
4884	END SUBROUTINE rw_constant
4885
4886
4887	!------------------------------------------------------------------------------!
4888	! Description:
4889	! ------------
4890	!> Subroutine to compute stomatal conductance
4891	!------------------------------------------------------------------------------!
4892	SUBROUTINE rc_gstom( icmp, compnam, lu, lai_present, lai, solar_rad, sinphi, t, rh, diffusivity, gstom, p )
4893
4894	!
4895	!-- input/output variables:
4896	CHARACTER(LEN=*), INTENT(IN) :: compnam !< component name
4897
4898	INTEGER(iwp), INTENT(IN) :: icmp !< component index
4899	INTEGER(iwp), INTENT(IN) :: lu !< land use type , lu = 1,...,nlu
4900
4901	LOGICAL, INTENT(IN) :: lai_present
4902
4903	REAL(wp), INTENT(IN) :: lai !< one-sided leaf area index
4904	REAL(wp), INTENT(IN) :: solar_rad !< solar radiation, dirict+diffuse (W/m2)
4905	REAL(wp), INTENT(IN) :: sinphi !< sin of solar elevation angle
4906	REAL(wp), INTENT(IN) :: t !< temperature (C)
4907	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4908	REAL(wp), INTENT(IN) :: diffusivity !< diffusion coefficient of the gas involved
4909
4910	REAL(wp), OPTIONAL,INTENT(IN) :: p !< pressure (Pa)
4911
4912	REAL(wp), INTENT(OUT) :: gstom !< stomatal conductance (m/s)
4913	!
4914	!-- Local variables
4915	REAL(wp) :: vpd !< vapour pressure deficit (kPa)
4916
4917	REAL(wp), PARAMETER :: dO3 = 0.13e-4 !< diffusion coefficient of ozon (m2/s)
4918	!
4919	!-- Next line is to avoid compiler warning about unused variables
4920	IF ( icmp == 0 ) CONTINUE
4921
4922	SELECT CASE( TRIM( compnam ) )
4923
4924	CASE( 'NO', 'CO' )
4925	!
4926	!-- For no stomatal uptake is neglected:
4927	gstom = 0.0_wp
4928
4929	CASE( 'NO2', 'O3', 'SO2', 'NH3' )
4930	!
4931	!-- if vegetation present:
4932	IF ( lai_present ) THEN
4933
4934	IF ( solar_rad > 0.0_wp ) THEN
4935	CALL rc_get_vpd( t, rh, vpd )
4936	CALL rc_gstom_emb( lu, solar_rad, t, vpd, lai_present, lai, sinphi, gstom, p )
4937	gstom = gstom * diffusivity / dO3 !< Gstom of Emberson is derived for ozone
4938	ELSE
4939	gstom = 0.0_wp
4940	ENDIF
4941	ELSE
4942	!
4943	!-- no vegetation; zero conductance (infinite resistance):
4944	gstom = 0.0_wp
4945	ENDIF
4946
4947	CASE default
4948	message_string = 'Component '// TRIM( compnam ) // ' not supported'
4949	CALL message( 'rc_gstom', 'CM0459', 1, 2, 0, 6, 0 )
4950	END SELECT
4951
4952	END SUBROUTINE rc_gstom
4953
4954
4955	!------------------------------------------------------------------------------!
4956	! Description:
4957	! ------------
4958	!> Subroutine to compute stomatal conductance according to Emberson
4959	!------------------------------------------------------------------------------!
4960	SUBROUTINE rc_gstom_emb( lu, solar_rad, T, vpd, lai_present, lai, sinp, Gsto, p )
4961	!
4962	!> History
4963	!> Original code from Lotos-Euros, TNO, M. Schaap
4964	!> 2009-08, M.C. van Zanten, Rivm
4965	!> Updated and extended.
4966	!> 2009-09, Arjo Segers, TNO
4967	!> Limitted temperature influence to range to avoid
4968	!> floating point exceptions.
4969
4970	!> Method
4971
4972	!> Code based on Emberson et al, 2000, Env. Poll., 403-413
4973	!> Notation conform Unified EMEP Model Description Part 1, ch 8
4974	!
4975	!> In the calculation of f_light the modification of L. Zhang 2001, AE to the PARshade and PARsun
4976	!> parametrizations of Norman 1982 are applied
4977	!> f_phen and f_SWP are set to 1
4978	!
4979	!> Land use types DEPAC versus Emberson (Table 5.1, EMEP model description)
4980	!> DEPAC Emberson
4981	!> 1 = grass GR = grassland
4982	!> 2 = arable land TC = temperate crops ( lai according to RC = rootcrops)
4983	!> 3 = permanent crops TC = temperate crops ( lai according to RC = rootcrops)
4984	!> 4 = coniferous forest CF = tempareate/boREAL(wp) coniferous forest
4985	!> 5 = deciduous forest DF = temperate/boREAL(wp) deciduous forest
4986	!> 6 = water W = water
4987	!> 7 = urban U = urban
4988	!> 8 = other GR = grassland
4989	!> 9 = desert DE = desert
4990	!
4991	!-- Emberson specific declarations
4992	!
4993	!-- Input/output variables:
4994	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4995
4996	LOGICAL, INTENT(IN) :: lai_present
4997
4998	REAL(wp), INTENT(IN) :: solar_rad !< solar radiation, dirict+diffuse (W/m2)
4999	REAL(wp), INTENT(IN) :: t !< temperature (C)
5000	REAL(wp), INTENT(IN) :: vpd !< vapour pressure deficit (kPa)
5001
5002	REAL(wp), INTENT(IN) :: lai !< one-sided leaf area index
5003	REAL(wp), INTENT(IN) :: sinp !< sin of solar elevation angle
5004
5005	REAL(wp), OPTIONAL, INTENT(IN) :: p !< pressure (Pa)
5006
5007	REAL(wp), INTENT(OUT) :: gsto !< stomatal conductance (m/s)
5008	!
5009	!-- Local variables:
5010	REAL(wp) :: f_light
5011	REAL(wp) :: f_phen
5012	REAL(wp) :: f_temp
5013	REAL(wp) :: f_vpd
5014	REAL(wp) :: f_swp
5015	REAL(wp) :: bt
5016	REAL(wp) :: f_env
5017	REAL(wp) :: pardir
5018	REAL(wp) :: pardiff
5019	REAL(wp) :: parshade
5020	REAL(wp) :: parsun
5021	REAL(wp) :: laisun
5022	REAL(wp) :: laishade
5023	REAL(wp) :: sinphi
5024	REAL(wp) :: pres
5025	REAL(wp), PARAMETER :: p_sealevel = 1.01325e05 !< Pa
5026	!
5027	!-- Check whether vegetation is present:
5028	IF ( lai_present ) THEN
5029
5030	! calculation of correction factors for stomatal conductance
5031	IF ( sinp <= 0.0_wp ) THEN
5032	sinphi = 0.0001_wp
5033	ELSE
5034	sinphi = sinp
5035	END IF
5036	!
5037	!-- ratio between actual and sea-level pressure is used
5038	!-- to correct for height in the computation of par;
5039	!-- should not exceed sea-level pressure therefore ...
5040	IF ( present(p) ) THEN
5041	pres = min( p, p_sealevel )
5042	ELSE
5043	pres = p_sealevel
5044	ENDIF
5045	!
5046	!-- direct and diffuse par, Photoactive (=visible) radiation:
5047	CALL par_dir_diff( solar_rad, sinphi, pres, p_sealevel, pardir, pardiff )
5048	!
5049	!-- par for shaded leaves (canopy averaged):
5050	parshade = pardiff * exp( -0.5 * lai*0.7 ) + 0.07 pardir * ( 1.1 - 0.1 * lai ) * exp( -sinphi ) !< Norman,1982
5051	IF ( solar_rad > 200.0_wp .AND. lai > 2.5_wp ) THEN
5052	parshade = pardiff * exp( -0.5 * lai*0.8 ) + 0.07 pardir * ( 1.1 - 0.1 * lai ) * exp( -sinphi ) !< Zhang et al., 2001
5053	END IF
5054	!
5055	!-- par for sunlit leaves (canopy averaged):
5056	!-- alpha -> mean angle between leaves and the sun is fixed at 60 deg -> i.e. cos alpha = 0.5
5057	parsun = pardir * 0.5/sinphi + parshade !< Norman, 1982
5058	IF ( solar_rad > 200.0_wp .AND. lai > 2.5_wp ) THEN
5059	parsun = pardir*0.8 0.5 / sinphi + parshade !< Zhang et al., 2001
5060	END IF
5061	!
5062	!-- leaf area index for sunlit and shaded leaves:
5063	IF ( sinphi > 0 ) THEN
5064	laisun = 2 * sinphi * ( 1 - exp( -0.5 * lai / sinphi ) )
5065	laishade = lai - laisun
5066	ELSE
5067	laisun = 0
5068	laishade = lai
5069	END IF
5070
5071	f_light = ( laisun * ( 1 - exp( -1.0_wp * alpha(lu) * parsun ) ) + &
5072	laishade * ( 1 - exp( -1.0_wp * alpha(lu) * parshade ) ) ) / lai
5073
5074	f_light = MAX(f_light,f_min(lu))
5075	!
5076	!-- temperature influence; only non-zero within range [tmin,tmax]:
5077	IF ( ( tmin(lu) < t ) .AND. ( t < tmax(lu) ) ) THEN
5078	bt = ( tmax(lu) - topt(lu) ) / ( topt(lu) - tmin(lu) )
5079	f_temp = ( ( t - tmin(lu) ) / ( topt(lu) - tmin(lu) ) ) * ( ( tmax(lu) - t ) / ( tmax(lu) - topt(lu) ) )**bt
5080	ELSE
5081	f_temp = 0.0_wp
5082	END IF
5083	f_temp = MAX( f_temp, f_min(lu) )
5084	!
5085	!-- vapour pressure deficit influence
5086	f_vpd = MIN( 1.0_wp, ( ( 1.0_wp - f_min(lu) ) * ( vpd_min(lu) - vpd ) / ( vpd_min(lu) - vpd_max(lu) ) + f_min(lu) ) )
5087	f_vpd = MAX( f_vpd, f_min(lu) )
5088
5089	f_swp = 1.0_wp
5090	!
5091	!-- influence of phenology on stom. conductance
5092	!-- ignored for now in DEPAC since influence of f_phen on lu classes in use is negligible.
5093	!-- When other EMEP classes (e.g. med. broadleaf) are used f_phen might be too important to ignore
5094	f_phen = 1.0_wp
5095	!
5096	!-- evaluate total stomatal conductance
5097	f_env = f_temp * f_vpd * f_swp
5098	f_env = MAX( f_env,f_min(lu) )
5099	gsto = g_max(lu) * f_light * f_phen * f_env
5100	!
5101	!-- gstom expressed per m2 leafarea;
5102	!-- this is converted with lai to m2 surface.
5103	gsto = lai * gsto ! in m/s
5104
5105	ELSE
5106	gsto = 0.0_wp
5107	ENDIF
5108
5109	END SUBROUTINE rc_gstom_emb
5110
5111
5112	!-------------------------------------------------------------------
5113	!> par_dir_diff
5114	!> Weiss, A., Norman, J.M. (1985) Partitioning solar radiation into direct and
5115	!> diffuse, visible and near-infrared components. Agric. Forest Meteorol.
5116	!> 34, 205-213.
5117	!> From a SUBROUTINE obtained from Leiming Zhang,
5118	!> Meteorological Service of Canada
5119	!> Leiming uses solar irradiance. This should be equal to global radiation and
5120	!> Willem Asman set it to global radiation (here defined as solar radiation, dirict+diffuse)
5121	!>
5122	!> @todo Check/connect/replace with radiation_model_mod variables
5123	!-------------------------------------------------------------------
5124	SUBROUTINE par_dir_diff( solar_rad, sinphi, pres, pres_0, par_dir, par_diff )
5125
5126
5127	REAL(wp), INTENT(IN) :: solar_rad !< solar radiation, dirict+diffuse (W m-2)
5128	REAL(wp), INTENT(IN) :: sinphi !< sine of the solar elevation
5129	REAL(wp), INTENT(IN) :: pres !< actual pressure (to correct for height) (Pa)
5130	REAL(wp), INTENT(IN) :: pres_0 !< pressure at sea level (Pa)
5131
5132	REAL(wp), INTENT(OUT) :: par_dir !< par direct : visible (photoactive) direct beam radiation (W m-2)
5133	REAL(wp), INTENT(OUT) :: par_diff !< par diffuse: visible (photoactive) diffuse radiation (W m-2)
5134
5135
5136	REAL(wp) :: sv !< total visible radiation
5137	REAL(wp) :: fv !< par direct beam fraction (dimensionless)
5138	REAL(wp) :: ratio !< ratio measured to potential solar radiation (dimensionless)
5139	REAL(wp) :: rdm !< potential direct beam near-infrared radiation (W m-2); "potential" means clear-sky
5140	REAL(wp) :: rdn !< potential diffuse near-infrared radiation (W m-2)
5141	REAL(wp) :: rdu !< visible (par) direct beam radiation (W m-2)
5142	REAL(wp) :: rdv !< potential visible (par) diffuse radiation (W m-2)
5143	REAL(wp) :: rn !< near-infrared radiation (W m-2)
5144	REAL(wp) :: rv !< visible radiation (W m-2)
5145	REAL(wp) :: ww !< water absorption in the near infrared for 10 mm of precipitable water
5146
5147	!
5148	!-- Calculate visible (PAR) direct beam radiation
5149	!-- 600 W m-2 represents average amount of par (400-700 nm wavelength)
5150	!-- at the top of the atmosphere; this is roughly 0.45*solar constant (solar constant=1320 Wm-2)
5151	rdu = 600.0_wp* exp( -0.185_wp * ( pres / pres_0 ) / sinphi ) * sinphi
5152	!
5153	!-- Calculate potential visible diffuse radiation
5154	rdv = 0.4_wp * ( 600.0_wp - rdu ) * sinphi
5155	!
5156	!-- Calculate the water absorption in the-near infrared
5157	ww = 1320 * 10*( -1.195_wp + 0.4459_wp log10( 1.0_wp / sinphi ) - 0.0345_wp * ( log10( 1.0_wp / sinphi ) )**2 )
5158	!
5159	!-- Calculate potential direct beam near-infrared radiation
5160	rdm = (720.0_wp * exp(-0.06_wp * (pres / pres_0) / sinphi ) - ww ) * sinphi !< 720 = solar constant - 600
5161	!
5162	!-- Calculate potential diffuse near-infrared radiation
5163	rdn = 0.6_wp * ( 720 - rdm - ww ) * sinphi
5164	!
5165	!-- Compute visible and near-infrared radiation
5166	rv = MAX( 0.1_wp, rdu + rdv )
5167	rn = MAX( 0.01_wp, rdm + rdn )
5168	!
5169	!-- Compute ratio between input global radiation (here defined as solar radiation, dirict+diffuse)
5170	!-- and total radiation computed here
5171	ratio = MIN( 0.89_wp, solar_rad / ( rv + rn ) )
5172	!
5173	!-- Calculate total visible radiation
5174	sv = ratio * rv
5175	!
5176	!-- Calculate fraction of par in the direct beam
5177	fv = MIN( 0.99_wp, ( 0.9_wp - ratio ) / 0.7_wp ) !< help variable
5178	fv = MAX( 0.01_wp, rdu / rv * ( 1.0_wp - fv**0.6667_wp ) ) !< fraction of par in the direct beam
5179	!
5180	!-- Compute direct and diffuse parts of par
5181	par_dir = fv * sv
5182	par_diff = sv - par_dir
5183
5184	END SUBROUTINE par_dir_diff
5185
5186
5187	!-------------------------------------------------------------------
5188	!> rc_get_vpd: get vapour pressure deficit (kPa)
5189	!-------------------------------------------------------------------
5190	SUBROUTINE rc_get_vpd( temp, rh, vpd )
5191
5192	!
5193	!-- Input/output variables:
5194	REAL(wp), INTENT(IN) :: temp !< temperature (C)
5195	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
5196
5197	REAL(wp), INTENT(OUT) :: vpd !< vapour pressure deficit (kPa)
5198	!
5199	!-- Local variables:
5200	REAL(wp) :: esat
5201	!
5202	!-- fit parameters:
5203	REAL(wp), PARAMETER :: a1 = 6.113718e-01
5204	REAL(wp), PARAMETER :: a2 = 4.43839e-02
5205	REAL(wp), PARAMETER :: a3 = 1.39817e-03
5206	REAL(wp), PARAMETER :: a4 = 2.9295e-05
5207	REAL(wp), PARAMETER :: a5 = 2.16e-07
5208	REAL(wp), PARAMETER :: a6 = 3.0e-09
5209	!
5210	!-- esat is saturation vapour pressure (kPa) at temp(C) following Monteith(1973)
5211	esat = a1 + a2 * temp + a3 * temp*2 + a4 temp*3 + a5 temp*4 + a6 temp**5
5212	vpd = esat * ( 1 - rh / 100 )
5213
5214	END SUBROUTINE rc_get_vpd
5215
5216
5217	!-------------------------------------------------------------------
5218	!> rc_gsoil_eff: compute effective soil conductance
5219	!-------------------------------------------------------------------
5220	SUBROUTINE rc_gsoil_eff( icmp, lu, sai, ust, nwet, t, gsoil_eff )
5221
5222	!
5223	!-- Input/output variables:
5224	INTEGER(iwp), INTENT(IN) :: icmp !< component index
5225	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,..., nlu
5226	INTEGER(iwp), INTENT(IN) :: nwet !< index for wetness
5227	!< nwet = 0 -> dry; nwet = 1 -> wet; nwet = 9 -> snow
5228	!< N.B. this routine cannot be called with nwet = 9,
5229	!< nwet = 9 should be handled outside this routine.
5230	REAL(wp), INTENT(IN) :: sai !< surface area index
5231	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
5232	REAL(wp), INTENT(IN) :: t !< temperature (C)
5233	REAL(wp), INTENT(OUT) :: gsoil_eff !< effective soil conductance (m/s)
5234	!
5235	!-- local variables:
5236	REAL(wp) :: rinc !< in canopy resistance (s/m)
5237	REAL(wp) :: rsoil_eff !< effective soil resistance (s/m)
5238	!
5239	!-- Soil resistance (numbers matched with lu_classes and component numbers)
5240	! grs ara crp cnf dec wat urb oth des ice sav trf wai med sem
5241	REAL(wp), PARAMETER :: rsoil(nlu_dep,ncmp) = reshape( (/ &
5242	1000., 200., 200., 200., 200., 2000., 400., 1000., 2000., 2000., 1000., 200., 2000., 200., 400., & !< O3
5243	1000., 1000., 1000., 1000., 1000., 10., 1000., 1000., 1000., 500., 1000., 1000., 10., 1000., 1000., & !< SO2
5244	1000., 1000., 1000., 1000., 1000., 2000., 1000., 1000., 1000., 2000., 1000., 1000., 2000., 1000., 1000., & !< NO2
5245	-999., -999., -999., -999., -999., 2000., 1000., -999., 2000., 2000., -999., -999., 2000., -999., -999., & !< NO
5246	100., 100., 100., 100., 100., 10., 100., 100., 100., 1000., 100., 100., 10., 100., 100., & !< NH3
5247	-999., -999., -999., -999., -999., 2000., 1000., -999., 2000., 2000., -999., -999., 2000., -999., -999., & !< CO
5248	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< NO3
5249	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< HNO3
5250	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< N2O5
5251	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999. /),& !< H2O2
5252	(/nlu_dep,ncmp/) )
5253	!
5254	!-- For o3 so2 no2 no nh3 co no3 hno3 n2o5 h2o2
5255	REAL(wp), PARAMETER :: rsoil_wet(ncmp) = (/2000., 10. , 2000., -999., 10. , -999., -999., -999., -999., -999./)
5256	REAL(wp), PARAMETER :: rsoil_frozen(ncmp) = (/2000., 500., 2000., -999., 1000., -999., -999., -999., -999., -999./)
5257	!
5258	!-- Compute in canopy (in crop) resistance:
5259	CALL rc_rinc( lu, sai, ust, rinc )
5260	!
5261	!-- Check for missing deposition path:
5262	IF ( missing(rinc) ) THEN
5263	rsoil_eff = -9999.0_wp
5264	ELSE
5265	!
5266	!-- Frozen soil (temperature below 0):
5267	IF ( t < 0.0_wp ) THEN
5268	IF ( missing( rsoil_frozen( icmp ) ) ) THEN
5269	rsoil_eff = -9999.0_wp
5270	ELSE
5271	rsoil_eff = rsoil_frozen( icmp ) + rinc
5272	ENDIF
5273	ELSE
5274	!
5275	!-- Non-frozen soil; dry:
5276	IF ( nwet == 0 ) THEN
5277	IF ( missing( rsoil( lu, icmp ) ) ) THEN
5278	rsoil_eff = -9999.0_wp
5279	ELSE
5280	rsoil_eff = rsoil( lu, icmp ) + rinc
5281	ENDIF
5282	!
5283	!-- Non-frozen soil; wet:
5284	ELSEIF ( nwet == 1 ) THEN
5285	IF ( missing( rsoil_wet( icmp ) ) ) THEN
5286	rsoil_eff = -9999.0_wp
5287	ELSE
5288	rsoil_eff = rsoil_wet( icmp ) + rinc
5289	ENDIF
5290	ELSE
5291	message_string = 'nwet can only be 0 or 1'
5292	CALL message( 'rc_gsoil_eff', 'CM0460', 1, 2, 0, 6, 0 )
5293	ENDIF
5294	ENDIF
5295	ENDIF
5296	!
5297	!-- Compute conductance:
5298	IF ( rsoil_eff > 0.0_wp ) THEN
5299	gsoil_eff = 1.0_wp / rsoil_eff
5300	ELSE
5301	gsoil_eff = 0.0_wp
5302	ENDIF
5303
5304	END SUBROUTINE rc_gsoil_eff
5305
5306
5307	!-------------------------------------------------------------------
5308	!> rc_rinc: compute in canopy (or in crop) resistance
5309	!> van Pul and Jacobs, 1993, BLM
5310	!-------------------------------------------------------------------
5311	SUBROUTINE rc_rinc( lu, sai, ust, rinc )
5312
5313	!
5314	!-- Input/output variables:
5315	INTEGER(iwp), INTENT(IN) :: lu !< land use class, lu = 1, ..., nlu
5316
5317	REAL(wp), INTENT(IN) :: sai !< surface area index
5318	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
5319
5320	REAL(wp), INTENT(OUT) :: rinc !< in canopy resistance (s/m)
5321	!
5322	!-- b = empirical constant for computation of rinc (in canopy resistance) (= 14 m-1 or -999 if not applicable)
5323	!-- h = vegetation height (m) gra ara crop con dec wat urb oth des ice sav trf wai med semi
5324	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: b = (/ -999, 14, 14, 14, 14, -999, -999, -999, -999, -999, -999, 14, -999, &
5325	14, 14 /)
5326	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: h = (/ -999, 1, 1, 20, 20, -999, -999, -999, -999, -999, -999, 20, -999, &
5327	1 , 1 /)
5328	!
5329	!-- Compute Rinc only for arable land, perm. crops, forest; otherwise Rinc = 0:
5330	IF ( b(lu) > 0.0_wp ) THEN
5331	! !
5332	!-- Check for u* > 0 (otherwise denominator = 0):
5333	IF ( ust > 0.0_wp ) THEN
5334	rinc = b(lu) * h(lu) * sai/ust
5335	ELSE
5336	rinc = 1000.0_wp
5337	ENDIF
5338	ELSE
5339	IF ( lu == ilu_grass .OR. lu == ilu_other ) THEN
5340	rinc = -999.0_wp !< no deposition path for grass, other, and semi-natural
5341	ELSE
5342	rinc = 0.0_wp !< no in-canopy resistance
5343	ENDIF
5344	ENDIF
5345
5346	END SUBROUTINE rc_rinc
5347
5348
5349	!-------------------------------------------------------------------
5350	!> rc_rctot: compute total canopy (or surface) resistance Rc
5351	!-------------------------------------------------------------------
5352	SUBROUTINE rc_rctot( gstom, gsoil_eff, gw, gc_tot, rc_tot )
5353
5354	!
5355	!-- Input/output variables:
5356	REAL(wp), INTENT(IN) :: gstom !< stomatal conductance (s/m)
5357	REAL(wp), INTENT(IN) :: gsoil_eff !< effective soil conductance (s/m)
5358	REAL(wp), INTENT(IN) :: gw !< external leaf conductance (s/m)
5359
5360	REAL(wp), INTENT(OUT) :: gc_tot !< total canopy conductance (m/s)
5361	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
5362	!
5363	!-- Total conductance:
5364	gc_tot = gstom + gsoil_eff + gw
5365	!
5366	!-- Total resistance (note: gw can be negative, but no total emission allowed here):
5367	IF ( gc_tot <= 0.0_wp .OR. gw < 0.0_wp ) THEN
5368	rc_tot = -9999.0_wp
5369	ELSE
5370	rc_tot = 1.0_wp / gc_tot
5371	ENDIF
5372
5373	END SUBROUTINE rc_rctot
5374
5375
5376	!-------------------------------------------------------------------
5377	!> rc_comp_point_rc_eff: calculate the effective resistance Rc
5378	!> based on one or more compensation points
5379	!-------------------------------------------------------------------
5380	!> NH3rc (see depac v3.6 is based on Avero workshop Marc Sutton. p. 173.
5381	!> Sutton 1998 AE 473-480)
5382	!>
5383	!> Documentation by Ferd Sauter, 2008; see also documentation block in header of depac subroutine.
5384	!> FS 2009-01-29: variable names made consistent with DEPAC
5385	!> FS 2009-03-04: use total compensation point
5386	!>
5387	!> C: with total compensation point ! D: approximation of C
5388	!> ! with classical approach
5389	!> zr --------- Catm ! zr --------- Catm
5390	!> \| ! \|
5391	!> Ra ! Ra
5392	!> \| ! \|
5393	!> Rb ! Rb
5394	!> \| ! \|
5395	!> z0 --------- Cc ! z0 --------- Cc
5396	!> \| ! \|
5397	!> Rc ! Rc_eff
5398	!> \| ! \|
5399	!> --------- Ccomp_tot ! --------- C=0
5400	!>
5401	!>
5402	!> The effective Rc is defined such that instead of using
5403	!>
5404	!> F = -vd*[Catm - Ccomp_tot] (1)
5405	!>
5406	!> we can use the 'normal' flux formula
5407	!>
5408	!> F = -vd'*Catm, (2)
5409	!>
5410	!> with vd' = 1/(Ra + Rb + Rc') (3)
5411	!>
5412	!> and Rc' the effective Rc (rc_eff).
5413	!> (Catm - Ccomp_tot)
5414	!> vd'Catm = vd(Catm - Ccomp_tot) <=> vd' = vd* ------------------
5415	!> Catm
5416	!>
5417	!> (Catm - Ccomp_tot)
5418	!> 1/(Ra + Rb + Rc') = (1/Ra + Rb + Rc) * ------------------
5419	!> Catm
5420	!>
5421	!> Catm
5422	!> (Ra + Rb + Rc') = (Ra + Rb + Rc) * ------------------
5423	!> (Catm - Ccomp_tot)
5424	!>
5425	!> Catm
5426	!> Rc' = (Ra + Rb + Rc) * ------------------ - Ra - Rb
5427	!> (Catm - Ccomp_tot)
5428	!>
5429	!> Catm Catm
5430	!> Rc' = (Ra + Rb) [------------------ - 1 ] + Rc * ------------------
5431	!> (Catm - Ccomp_tot) (Catm - Ccomp_tot)
5432	!>
5433	!> Rc' = [(Ra + Rb)Ccomp_tot + RcCatm ] / (Catm - Ccomp_tot)
5434	!>
5435	! -------------------------------------------------------------------------------------------
5436	! SUBROUTINE rc_comp_point_rc_eff( ccomp_tot, conc_ijk_ugm3, ra, rb, rc_tot, rc_eff )
5437	!
5438	!
5439	!!-- Input/output variables:
5440	! REAL(wp), INTENT(IN) :: ccomp_tot !< total compensation point (weighed average of separate compensation points) (ug/m3)
5441	! REAL(wp), INTENT(IN) :: conc_ijk_ugm3 !< atmospheric concentration (ug/m3) above Catm
5442	! REAL(wp), INTENT(IN) :: ra !< aerodynamic resistance (s/m)
5443	! REAL(wp), INTENT(IN) :: rb !< boundary layer resistance (s/m)
5444	! REAL(wp), INTENT(IN) :: rc_tot !< total canopy resistance (s/m)
5445	!
5446	! REAL(wp), INTENT(OUT) :: rc_eff !< effective total canopy resistance (s/m)
5447	!
5448	! !
5449	!!-- Compute effective resistance:
5450	! IF ( ccomp_tot == 0.0_wp ) THEN
5451	! !
5452	!!-- trace with no compensiation point ( or compensation point equal to zero)
5453	! rc_eff = rc_tot
5454	!
5455	! ELSE IF ( ccomp_tot > 0.0_wp .AND. ( abs( conc_ijk_ugm3 - ccomp_tot ) < 1.e-8 ) ) THEN
5456	! !
5457	!!-- surface concentration (almost) equal to atmospheric concentration
5458	!!-- no exchange between surface and atmosphere, infinite RC --> vd=0
5459	! rc_eff = 9999999999.0_wp
5460	!
5461	! ELSE IF ( ccomp_tot > 0.0_wp ) THEN
5462	! !
5463	!!-- compensation point available, calculate effective resistance
5464	! rc_eff = ( ( ra + rb ) * ccomp_tot + rc_tot * conc_ijk_ugm3 ) / ( conc_ijk_ugm3 - ccomp_tot )
5465	!
5466	! ELSE
5467	! rc_eff = -999.0_wp
5468	! message_string = 'This should not be possible, check ccomp_tot'
5469	! CALL message( 'rc_comp_point_rc_eff', 'CM0461', 1, 2, 0, 6, 0 )
5470	! ENDIF
5471	!
5472	! RETURN
5473	!
5474	! END SUBROUTINE rc_comp_point_rc_eff
5475
5476
5477	!-------------------------------------------------------------------
5478	!> missing: check for data that correspond with a missing deposition path
5479	!> this data is represented by -999
5480	!-------------------------------------------------------------------
5481	LOGICAL function missing( x )
5482
5483	REAL(wp), INTENT(IN) :: x
5484
5485	!
5486	!-- bandwidth for checking (in)equalities of floats
5487	REAL(wp), PARAMETER :: eps = 1.0e-5
5488
5489	missing = (abs(x + 999.0_wp) <= eps)
5490
5491	END function missing
5492
5493
5494	ELEMENTAL FUNCTION sedimentation_velocity( rhopart, partsize, slipcor, visc ) RESULT( vs )
5495
5496	!
5497	!-- in/out
5498
5499	REAL(wp), INTENT(IN) :: rhopart !< particle density (kg/m3)
5500	REAL(wp), INTENT(IN) :: partsize !< particle size (m)
5501	REAL(wp), INTENT(IN) :: slipcor !< slip correction factor (m)
5502	REAL(wp), INTENT(IN) :: visc !< viscosity
5503
5504	REAL(wp) :: vs
5505	!
5506	!-- acceleration of gravity:
5507	REAL(wp), PARAMETER :: grav = 9.80665 !< m/s2
5508
5509	!-- sedimentation velocity
5510	vs = rhopart * ( partsize*2.0_wp ) grav * slipcor / ( 18.0_wp * visc )
5511
5512	END FUNCTION sedimentation_velocity
5513
5514
5515	!------------------------------------------------------------------------
5516	!> Boundary-layer deposition resistance following Zhang (2001)
5517	!------------------------------------------------------------------------
5518	SUBROUTINE drydepo_aero_zhang_vd( vd, rs, vs1, partsize, slipcor, nwet, tsurf, dens1, viscos1, &
5519	luc, ftop_lu, ustar )
5520
5521	!
5522	!-- in/out
5523
5524	INTEGER(iwp), INTENT(IN) :: nwet !< 1=rain, 9=snowcover
5525	INTEGER(iwp), INTENT(IN) :: luc !< DEPAC LU
5526
5527	REAL(wp), INTENT(IN) :: vs1 !< sedimentation velocity in lowest layer
5528	REAL(wp), INTENT(IN) :: partsize !< particle diameter (m)
5529	REAL(wp), INTENT(IN) :: slipcor !< slip correction factor
5530	REAL(wp), INTENT(IN) :: tsurf !< surface temperature (K)
5531	REAL(wp), INTENT(IN) :: dens1 !< air density (kg/m3) in lowest layer
5532	REAL(wp), INTENT(IN) :: viscos1 !< air viscosity in lowest layer
5533	REAL(wp), INTENT(IN) :: ftop_lu !< atmospheric resistnace Ra
5534	REAL(wp), INTENT(IN) :: ustar !< friction velocity u*
5535
5536	REAL(wp), INTENT(OUT) :: vd !< deposition velocity (m/s)
5537	REAL(wp), INTENT(OUT) :: rs !< sedimentaion resistance (s/m)
5538	!
5539	!-- constants
5540
5541	REAL(wp), PARAMETER :: grav = 9.80665 !< acceleration of gravity (m/s2)
5542
5543	REAL(wp), PARAMETER :: beta = 2.0
5544	REAL(wp), PARAMETER :: epsilon0 = 3.0
5545	REAL(wp), PARAMETER :: kb = 1.38066e-23
5546	REAL(wp), PARAMETER :: pi = 3.141592654_wp !< pi
5547
5548	REAL(wp), PARAMETER :: alfa_lu(nlu_dep) = &
5549	(/1.2, 1.2, 1.2, 1.0, 1.0, 100.0, 1.5, 1.2, 50.0, 100.0, 1.2, 1.0, 100.0, 1.2, 50.0/)
5550	REAL(wp), PARAMETER :: gamma_lu(nlu_dep) = &
5551	(/0.54, 0.54, 0.54, 0.56, 0.56, 0.50, 0.56, 0.54, 0.58, 0.50, 0.54, 0.56, 0.50, 0.54, 0.54/)
5552	REAL(wp), PARAMETER ::A_lu(nlu_dep) = &
5553	(/3.0, 3.0, 2.0, 2.0, 7.0, -99., 10.0, 3.0, -99., -99., 3.0, 7.0, -99., 2.0, -99./)
5554	!
5555	!-- grass arabl crops conif decid water urba othr desr ice sav trf wai med sem
5556	!
5557	!-- local
5558	REAL(wp) :: kinvisc
5559	REAL(wp) :: diff_part
5560	REAL(wp) :: schmidt
5561	REAL(wp) :: stokes
5562	REAL(wp) :: Ebrown
5563	REAL(wp) :: Eimpac
5564	REAL(wp) :: Einterc
5565	REAL(wp) :: Reffic
5566	!
5567	!-- kinetic viscosity & diffusivity
5568	kinvisc = viscos1 / dens1 !< only needed at surface
5569
5570	diff_part = kb * tsurf * slipcor / ( 3 * pi * viscos1 * partsize )
5571	!
5572	!-- Schmidt number
5573	schmidt = kinvisc / diff_part
5574	!
5575	!-- calculate collection efficiencie E
5576	Ebrown = Schmidt**( -gamma_lu(luc) ) !< Brownian diffusion
5577	!
5578	!-- determine Stokes number, interception efficiency
5579	!-- and sticking efficiency R (1 = no rebound)
5580	IF ( luc == ilu_ice .OR. nwet==9 .OR. luc == ilu_water_sea .OR. luc == ilu_water_inland ) THEN
5581	stokes = vs1 * ustar*2 / ( grav kinvisc )
5582	Einterc = 0.0_wp
5583	Reffic = 1.0_wp
5584	ELSE IF ( luc == ilu_other .OR. luc == ilu_desert ) THEN !<tundra of desert
5585	stokes = vs1 * ustar*2 / ( grav kinvisc )
5586	Einterc = 0.0_wp
5587	Reffic = exp( -Stokes**0.5_wp )
5588	ELSE
5589	stokes = vs1 * ustar / (grav * A_lu(luc) * 1.e-3)
5590	Einterc = 0.5_wp * ( partsize / (A_lu(luc) * 1e-3 ) )**2
5591	Reffic = exp( -Stokes**0.5_wp )
5592	END IF
5593	!
5594	!-- when surface is wet all particles do not rebound:
5595	IF ( nwet==1 ) Reffic = 1.0_wp
5596	!
5597	!-- determine impaction efficiency:
5598	Eimpac = ( stokes / ( alfa_lu(luc) + stokes ) )**beta
5599	!
5600	!-- sedimentation resistance:
5601	rs = 1.0_wp / ( epsilon0 * ustar * ( Ebrown + Eimpac + Einterc ) * Reffic )
5602
5603	!-- deposition velocity according to Seinfeld and Pandis (2006; eq 19.7):
5604	!--
5605	!-- 1
5606	!-- vd = ------------------ + vs
5607	!-- Ra + Rs + RaRsvs
5608	!--
5609	!-- where: Rs = Rb (in Seinfeld and Pandis, 2006)
5610
5611	vd = 1.0_wp / ( ftop_lu + rs + ftop_lu * rs * vs1) + vs1
5612
5613
5614	END SUBROUTINE drydepo_aero_zhang_vd
5615
5616
5617	!-------------------------------------------------------------------------------------
5618	!> Compute quasi-laminar boundary layer resistance as a function of landuse and tracer
5619	!> Original EMEP formulation by (Simpson et al, 2003) is used
5620	!-------------------------------------------------------------------------------------
5621	SUBROUTINE get_rb_cell( is_water, z0h, ustar, diffusivity, rb )
5622
5623	!
5624	!-- in/out
5625
5626	LOGICAL , INTENT(IN) :: is_water
5627
5628	REAL(wp), INTENT(IN) :: z0h !< roughness length for heat
5629	REAL(wp), INTENT(IN) :: ustar !< friction velocity
5630	REAL(wp), INTENT(IN) :: diffusivity !< coefficient of diffusivity
5631
5632	REAL(wp), INTENT(OUT) :: rb !< boundary layer resistance
5633	!
5634	!-- const
5635
5636	REAL(wp), PARAMETER :: thk = 0.19e-4 !< thermal diffusivity of dry air 20 C
5637	REAL(wp), PARAMETER :: kappa_stab = 0.35 !< von Karman constant
5638	!
5639	!-- Next line is to avoid compiler warning about unused variable
5640	IF ( is_water .OR. ( z0h + kappa_stab ) > 0.0_wp ) CONTINUE
5641	!
5642	!-- Use Simpson et al. (2003)
5643	!-- @TODO: Check rb over water calculation, until then leave commented lines
5644	!-- IF ( is_water ) THEN
5645	!-- org: rb = 1.0_wp / (kappa_stabMAX(0.01_wp,ustar)) log(z0h/diffusivitykappa_stabMAX(0.01_wp,ustar))
5646	!-- rb = 1.0_wp / (kappa_stabMAX(0.1_wp,ustar)) log(z0h/diffusivitykappa_stabMAX(0.1_wp,ustar))
5647	!-- ELSE
5648	rb = 5.0_wp / MAX( 0.01_wp, ustar ) * ( thk / diffusivity )**0.67_wp
5649	!-- END IF
5650
5651	END SUBROUTINE get_rb_cell
5652
5653
5654	!-----------------------------------------------------------------
5655	!> Compute water vapor partial pressure (e_w)
5656	!> given specific humidity Q [(kg water)/(kg air)].
5657	!>
5658	!> Use that gas law for volume V with temperature T
5659	!> holds for the total mixture as well as the water part:
5660	!>
5661	!> R T / V = p_air / n_air = p_water / n_water
5662	!>
5663	!> thus:
5664	!>
5665	!> p_water = p_air n_water / n_air
5666	!>
5667	!> Use:
5668	!> n_air = m_air / xm_air
5669	!> [kg air] / [(kg air)/(mole air)]
5670	!> and:
5671	!> n_water = m_air * Q / xm_water
5672	!> [kg water] / [(kg water)/(mole water)]
5673	!> thus:
5674	!> p_water = p_air Q / (xm_water/xm_air)
5675	!------------------------------------------------------------------
5676
5677	ELEMENTAL FUNCTION watervaporpartialpressure( q, p ) RESULT( p_w )
5678
5679	!
5680	!-- in/out
5681
5682	REAL(wp), INTENT(IN) :: q !< specific humidity [(kg water)/(kg air)]
5683	REAL(wp), INTENT(IN) :: p !< air pressure [Pa]
5684
5685	REAL(wp) :: p_w !< water vapor partial pressure [Pa]
5686	!
5687	!-- const
5688
5689	REAL(wp), PARAMETER :: eps = xm_h2o / xm_air !< mole mass ratio ~ 0.622
5690	!
5691	!-- partial pressure of water vapor:
5692	p_w = p * q / eps
5693
5694	END function watervaporpartialpressure
5695
5696
5697	!------------------------------------------------------------------
5698	!> Saturation vapor pressure.
5699	!> From (Stull 1988, eq. 7.5.2d):
5700	!>
5701	!> e_sat = p0 exp( 17.67 * (T-273.16) / (T-29.66) ) [Pa]
5702	!>
5703	!> where:
5704	!> p0 = 611.2 [Pa] : reference pressure
5705	!>
5706	!> Arguments:
5707	!> T [K] : air temperature
5708	!> Result:
5709	!> e_sat_w [Pa] : saturation vapor pressure
5710	!>
5711	!> References:
5712	!> Roland B. Stull, 1988
5713	!> An introduction to boundary layer meteorology.
5714	!-----------------------------------------------------------------
5715
5716	ELEMENTAL FUNCTION saturationvaporpressure( t ) RESULT( e_sat_w )
5717
5718	!
5719	!-- in/out
5720
5721	REAL(wp), INTENT(IN) :: t !< temperature [K]
5722
5723	REAL(wp) :: e_sat_w !< saturation vapor pressure [Pa]
5724	!
5725	!-- const
5726	REAL(wp), PARAMETER :: p0 = 611.2 !< base pressure [Pa]
5727	!
5728	!-- saturation vapor pressure:
5729	e_sat_w = p0 * exp( 17.67_wp * ( t - 273.16_wp ) / ( t - 29.66_wp ) ) !< [Pa]
5730
5731	END FUNCTION saturationvaporpressure
5732
5733
5734	!------------------------------------------------------------------------
5735	!> Relative humidity RH [%] is by definition:
5736	!>
5737	!> e_w water vapor partial pressure
5738	!> Rh = -------- * 100
5739	!> e_sat_w saturation vapor pressure
5740	!------------------------------------------------------------------------
5741
5742	ELEMENTAL FUNCTION relativehumidity_from_specifichumidity( q, t, p ) RESULT( rh )
5743
5744	!
5745	!-- in/out
5746
5747	REAL(wp), INTENT(IN) :: q !< specific humidity [(kg water)/(kg air)]
5748	REAL(wp), INTENT(IN) :: t !< temperature [K]
5749	REAL(wp), INTENT(IN) :: p !< air pressure [Pa]
5750
5751	REAL(wp) :: rh !< relative humidity [%]
5752	!
5753	!-- relative humidity:
5754	rh = watervaporpartialpressure( q, p ) / saturationvaporpressure( t ) * 100.0_wp
5755
5756	END FUNCTION relativehumidity_from_specifichumidity
5757
5758
5759	END MODULE chemistry_model_mod
5760

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