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source: palm/trunk/SOURCE/chemistry_model_mod.f90 @ 3652

Last change on this file since 3652 was 3652, checked in by forkel, 6 years ago
Checks added for chemistry mechanism, parameter chem_mechanism added
Property svn:keywords set to `Id`
File size: 218.1 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 2017-2018 Leibniz Universitaet Hannover
18	! Copyright 2017-2018 Karlsruhe Institute of Technology
19	! Copyright 2017-2018 Freie Universitaet Berlin
20	!------------------------------------------------------------------------------!
21	!
22	! Current revisions:
23	! -----------------
24	!
25	!
26	! Former revisions:
27	! -----------------
28	! $Id: chemistry_model_mod.f90 3652 2019-01-07 15:29:59Z forkel $
29	! Checks added for chemistry mechanism, parameter chem_mechanism added (basit)
30	!
31	!
32	! 3646 2018-12-28 17:58:49Z kanani
33	! Bugfix: use time_since_reference_point instead of simulated_time (relevant
34	! when using wall/soil spinup)
35	!
36	! 3643 2018-12-24 13:16:19Z knoop
37	! Bugfix: set found logical correct in chem_data_output_2d
38	!
39	! 3638 2018-12-20 13:18:23Z forkel
40	! Added missing conversion factor fr2ppm for qvap
41	!
42	!
43	! 3637 2018-12-20 01:51:36Z knoop
44	! Implementation of the PALM module interface
45	!
46	! 3636 2018-12-19 13:48:34Z raasch
47	! nopointer option removed
48	!
49	! 3611 2018-12-07 14:14:11Z banzhafs
50	! Minor formatting
51	!
52	! 3600 2018-12-04 13:49:07Z banzhafs
53	! Code update to comply PALM coding rules
54	! Bug fix in par_dir_diff subroutine
55	! Small fixes (corrected 'conastant', added 'Unused')
56	!
57	! 3586 2018-11-30 13:20:29Z dom_dwd_user
58	! Changed character lenth of name in species_def and photols_def to 15
59	!
60	! 3570 2018-11-27 17:44:21Z kanani
61	! resler:
62	! Break lines at 132 characters
63	!
64	! 3543 2018-11-20 17:06:15Z suehring
65	! Remove tabs
66	!
67	! 3542 2018-11-20 17:04:13Z suehring
68	! working precision added to make code Fortran 2008 conform
69	!
70	! 3458 2018-10-30 14:51:23Z kanani
71	! from chemistry branch r3443, banzhafs, basit:
72	! replace surf_lsm_h%qv1(m) by q(k,j,i) for mixing ratio in chem_depo
73	!
74	! bug fix in chem_depo: allow different surface fractions for one
75	! surface element and set lai to zero for non vegetated surfaces
76	! bug fixed in chem_data_output_2d
77	! bug fix in chem_depo subroutine
78	! added code on deposition of gases and particles
79	! removed cs_profile_name from chem_parin
80	! bug fixed in output profiles and code cleaned
81	!
82	! 3449 2018-10-29 19:36:56Z suehring
83	! additional output - merged from branch resler
84	!
85	! 3438 2018-10-28 19:31:42Z pavelkrc
86	! Add terrain-following masked output
87	!
88	! 3373 2018-10-18 15:25:56Z kanani
89	! Remove MPI_Abort, replace by message
90	!
91	! 3318 2018-10-08 11:43:01Z sward
92	! Fixed faulty syntax of message string
93	!
94	! 3298 2018-10-02 12:21:11Z kanani
95	! Add remarks (kanani)
96	! Merge with trunk, replaced cloud_physics by bulk_cloud_model 28.09.2018 forkel
97	! Subroutines header and chem_check_parameters added 25.09.2018 basit
98	! Removed chem_emission routine now declared in chem_emissions.f90 30.07.2018 ERUSSO
99	! Introduced emissions namelist parameters 30.07.2018 ERUSSO
100	!
101	! Timestep steering added in subroutine chem_integrate_ij and
102	! output of chosen solver in chem_parin added 30.07.2018 ketelsen
103	!
104	! chem_check_data_output_pr: added unit for PM compounds 20.07.2018 forkel
105	! replaced : by nzb+1:nzt for pt,q,ql (found by kk) 18.07.2018 forkel
106	! debugged restart run for chem species 06.07.2018 basit
107	! reorganized subroutines in alphabetical order. 27.06.2018 basit
108	! subroutine chem_parin updated for profile output 27.06.2018 basit
109	! Added humidity arrays to USE section and tmp_qvap in chem_integrate 26.6.2018 forkel
110	! Merged chemistry with with trunk (nzb_do and nzt_do in 3d output) 26.6.2018 forkel
111	!
112	! reorganized subroutines in alphabetical order. basit 22.06.2018
113	! subroutine chem_parin updated for profile output basit 22.06.2018
114	! subroutine chem_statistics added
115	! subroutine chem_check_data_output_pr add 21.06.2018 basit
116	! subroutine chem_data_output_mask added 20.05.2018 basit
117	! subroutine chem_data_output_2d added 20.05.2018 basit
118	! subroutine chem_statistics added 04.06.2018 basit
119	! subroutine chem_emissions: Set cssws to zero before setting values 20.03.2018 forkel
120	! subroutine chem_emissions: Introduced different conversion factors
121	! for PM and gaseous compounds 15.03.2018 forkel
122	! subroutine chem_emissions updated to take variable number of chem_spcs and
123	! emission factors. 13.03.2018 basit
124	! chem_boundary_conds_decycle improved. 05.03.2018 basit
125	! chem_boundary_conds_decycle subroutine added 21.02.2018 basit
126	! chem_init_profiles subroutines re-activated after correction 21.02.2018 basit
127	!
128	!
129	! 3293 2018-09-28 12:45:20Z forkel
130	! Modularization of all bulk cloud physics code components
131	!
132	! 3248 2018-09-14 09:42:06Z sward
133	! Minor formating changes
134	!
135	! 3246 2018-09-13 15:14:50Z sward
136	! Added error handling for input namelist via parin_fail_message
137	!
138	! 3241 2018-09-12 15:02:00Z raasch
139	! +nest_chemistry
140	!
141	! 3209 2018-08-27 16:58:37Z suehring
142	! Rename flags indicating outflow boundary conditions
143	!
144	! 3182 2018-07-27 13:36:03Z suehring
145	! Revise output of surface quantities in case of overhanging structures
146	!
147	! 3045 2018-05-28 07:55:41Z Giersch
148	! error messages revised
149	!
150	! 3014 2018-05-09 08:42:38Z maronga
151	! Bugfix: nzb_do and nzt_do were not used for 3d data output
152	!
153	! 3004 2018-04-27 12:33:25Z Giersch
154	! Comment concerning averaged data output added
155	!
156	! 2932 2018-03-26 09:39:22Z maronga
157	! renamed chemistry_par to chemistry_parameters
158	!
159	! 2894 2018-03-15 09:17:58Z Giersch
160	! Calculations of the index range of the subdomain on file which overlaps with
161	! the current subdomain are already done in read_restart_data_mod,
162	! chem_last_actions was renamed to chem_wrd_local, chem_read_restart_data was
163	! renamed to chem_rrd_local, chem_write_var_list was renamed to
164	! chem_wrd_global, chem_read_var_list was renamed to chem_rrd_global,
165	! chem_skip_var_list has been removed, variable named found has been
166	! introduced for checking if restart data was found, reading of restart strings
167	! has been moved completely to read_restart_data_mod, chem_rrd_local is already
168	! inside the overlap loop programmed in read_restart_data_mod, todo list has
169	! bees extended, redundant characters in chem_wrd_local have been removed,
170	! the marker * end chemistry * is not necessary anymore, strings and their
171	! respective lengths are written out and read now in case of restart runs to
172	! get rid of prescribed character lengths
173	!
174	! 2815 2018-02-19 11:29:57Z suehring
175	! Bugfix in restart mechanism,
176	! rename chem_tendency to chem_prognostic_equations,
177	! implement vector-optimized version of chem_prognostic_equations,
178	! some clean up (incl. todo list)
179	!
180	! 2773 2018-01-30 14:12:54Z suehring
181	! Declare variables required for nesting as public
182	!
183	! 2772 2018-01-29 13:10:35Z suehring
184	! Bugfix in string handling
185	!
186	! 2768 2018-01-24 15:38:29Z kanani
187	! Shorten lines to maximum length of 132 characters
188	!
189	! 2766 2018-01-22 17:17:47Z kanani
190	! Removed preprocessor directive __chem
191	!
192	! 2756 2018-01-16 18:11:14Z suehring
193	! Fill values in 3D output introduced.
194	!
195	! 2718 2018-01-02 08:49:38Z maronga
196	! Initial revision
197	!
198	!
199	!
200	!
201	! Authors:
202	! --------
203	! @author Renate Forkel
204	! @author Farah Kanani-Suehring
205	! @author Klaus Ketelsen
206	! @author Basit Khan
207	! @author Sabine Banzhaf
208	!
209	!
210	!------------------------------------------------------------------------------!
211	! Description:
212	! ------------
213	!> Chemistry model for PALM-4U
214	!> @todo Adjust chem_rrd_local to CASE structure of others modules. It is not
215	!> allowed to use the chemistry model in a precursor run and additionally
216	!> not using it in a main run
217	!> @todo Update/clean-up todo list! (FK)
218	!> @todo Set proper fill values (/= 0) for chem output arrays! (FK)
219	!> @todo Add routine chem_check_parameters, add checks for inconsistent or
220	!> unallowed parameter settings.
221	!> CALL of chem_check_parameters from check_parameters. (FK)
222	!> @todo Make routine chem_header available, CALL from header.f90
223	!> (see e.g. how it is done in routine lsm_header in
224	!> land_surface_model_mod.f90). chem_header should include all setup
225	!> info about chemistry parameter settings. (FK)
226	!> @todo Implement turbulent inflow of chem spcs in inflow_turbulence.
227	!> @todo Separate boundary conditions for each chem spcs to be implemented
228	!> @todo Currently only total concentration are calculated. Resolved, parameterized
229	!> and chemistry fluxes although partially and some completely coded but
230	!> are not operational/activated in this version. bK.
231	!> @todo slight differences in passive scalar and chem spcs when chem reactions
232	!> turned off. Need to be fixed. bK
233	!> @todo test nesting for chem spcs, was implemented by suehring (kanani)
234	!> @todo chemistry error messages
235	!> @todo Format this module according to PALM coding standard (see e.g. module
236	!> template under http://palm.muk.uni-hannover.de/mosaik/downloads/8 or
237	!> D3_coding_standard.pdf under https://palm.muk.uni-hannover.de/trac/downloads/16)
238	!
239	!------------------------------------------------------------------------------!
240
241	MODULE chemistry_model_mod
242
243	USE kinds, &
244	ONLY: iwp, wp
245
246	USE indices, &
247	ONLY: nz, nzb, nzt, nysg, nyng, nxlg, nxrg, nys, nyn, nx, nxl, nxr, ny, wall_flags_0
248
249	USE pegrid, &
250	ONLY: myid, threads_per_task
251
252	USE bulk_cloud_model_mod, &
253	ONLY: bulk_cloud_model
254
255	USE control_parameters, &
256	ONLY: bc_lr_cyc, bc_ns_cyc, dt_3d, humidity, initializing_actions, message_string, &
257	omega, tsc, intermediate_timestep_count, intermediate_timestep_count_max, &
258	max_pr_user, timestep_scheme, use_prescribed_profile_data, ws_scheme_sca
259
260	USE arrays_3d, &
261	ONLY: exner, hyp, pt, q, ql, rdf_sc, tend, zu
262
263	USE chem_gasphase_mod, &
264	ONLY: nspec, spc_names, nkppctrl, nmaxfixsteps, t_steps, chem_gasphase_integrate, &
265	vl_dim, nvar, nreact, atol, rtol, nphot, phot_names
266
267	USE cpulog, &
268	ONLY: cpu_log, log_point
269
270	USE chem_modules
271
272	USE statistics
273
274	IMPLICIT NONE
275	PRIVATE
276	SAVE
277
278	LOGICAL :: nest_chemistry = .TRUE. !< flag for nesting mode of chemical species, independent on parent or not
279	!
280	!- Define chemical variables
281	TYPE species_def
282	CHARACTER(LEN=15) :: name
283	CHARACTER(LEN=15) :: unit
284	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc
285	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_av
286	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p
287	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m
288	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av
289	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs
290	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs
291	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs
292	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs
293	REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init
294	END TYPE species_def
295
296
297	TYPE photols_def
298	CHARACTER(LEN=15) :: name
299	CHARACTER(LEN=15) :: unit
300	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq
301	END TYPE photols_def
302
303
304	PUBLIC species_def
305	PUBLIC photols_def
306
307
308	TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET, PUBLIC :: chem_species
309	TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET, PUBLIC :: phot_frequen
310
311	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_1
312	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_2
313	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_3
314	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_av
315	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: freq_1
316
317	INTEGER, DIMENSION(nkppctrl) :: icntrl !< Fine tuning kpp
318	REAL(kind=wp), DIMENSION(nkppctrl) :: rcntrl !< Fine tuning kpp
319	LOGICAL :: decycle_chem_lr = .FALSE.
320	LOGICAL :: decycle_chem_ns = .FALSE.
321	CHARACTER (LEN=20), DIMENSION(4) :: decycle_method = &
322	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
323	!< Decycling method at horizontal boundaries,
324	!< 1=left, 2=right, 3=south, 4=north
325	!< dirichlet = initial size distribution and
326	!< chemical composition set for the ghost and
327	!< first three layers
328	!< neumann = zero gradient
329
330	REAL(kind=wp), PUBLIC :: cs_time_step = 0._wp
331	CHARACTER(10), PUBLIC :: photolysis_scheme
332	!< 'constant',
333	!< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
334	!< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED
335
336
337	!
338	!-- Parameter needed for Deposition calculation using DEPAC model (van Zanten et al., 2010)
339	!
340	INTEGER(iwp), PARAMETER :: nlu_dep = 15 !< Number of DEPAC landuse classes (lu's)
341	INTEGER(iwp), PARAMETER :: ncmp = 10 !< Number of DEPAC gas components
342	INTEGER(iwp), PARAMETER :: nposp = 69 !< Number of possible species for deposition
343	!
344	!-- DEPAC landuse classes as defined in LOTOS-EUROS model v2.1
345	INTEGER(iwp) :: ilu_grass = 1
346	INTEGER(iwp) :: ilu_arable = 2
347	INTEGER(iwp) :: ilu_permanent_crops = 3
348	INTEGER(iwp) :: ilu_coniferous_forest = 4
349	INTEGER(iwp) :: ilu_deciduous_forest = 5
350	INTEGER(iwp) :: ilu_water_sea = 6
351	INTEGER(iwp) :: ilu_urban = 7
352	INTEGER(iwp) :: ilu_other = 8
353	INTEGER(iwp) :: ilu_desert = 9
354	INTEGER(iwp) :: ilu_ice = 10
355	INTEGER(iwp) :: ilu_savanna = 11
356	INTEGER(iwp) :: ilu_tropical_forest = 12
357	INTEGER(iwp) :: ilu_water_inland = 13
358	INTEGER(iwp) :: ilu_mediterrean_scrub = 14
359	INTEGER(iwp) :: ilu_semi_natural_veg = 15
360
361	!
362	!-- NH3/SO2 ratio regimes:
363	INTEGER(iwp), PARAMETER :: iratns_low = 1 !< low ratio NH3/SO2
364	INTEGER(iwp), PARAMETER :: iratns_high = 2 !< high ratio NH3/SO2
365	INTEGER(iwp), PARAMETER :: iratns_very_low = 3 !< very low ratio NH3/SO2
366	!
367	!-- Default:
368	INTEGER, PARAMETER :: iratns_default = iratns_low
369	!
370	!-- Set alpha for f_light (4.57 is conversion factor from 1./(mumol m-2 s-1) to W m-2
371	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: alpha =(/ 0.009, 0.009, 0.009, 0.006, 0.006, -999., -999., 0.009, -999., &
372	-999., 0.009, 0.006, -999., 0.009, 0.008/)*4.57
373	!
374	!-- Set temperatures per land use for f_temp
375	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: tmin = (/ 12.0, 12.0, 12.0, 0.0, 0.0, -999., -999., 12.0, -999., -999., &
376	12.0, 0.0, -999., 12.0, 8.0/)
377	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: topt = (/ 26.0, 26.0, 26.0, 18.0, 20.0, -999., -999., 26.0, -999., -999., &
378	26.0, 20.0, -999., 26.0, 24.0 /)
379	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: tmax = (/ 40.0, 40.0, 40.0, 36.0, 35.0, -999., -999., 40.0, -999., -999., &
380	40.0, 35.0, -999., 40.0, 39.0 /)
381	!
382	!-- Set f_min:
383	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, &
384	0.1, -999., 0.01, 0.04/)
385
386	!
387	!-- Set maximal conductance (m/s)
388	!-- (R T/P) = 1/41000 mmol/m3 is given for 20 deg C to go from mmol O3/m2/s to m/s
389	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: g_max = (/ 270., 300., 300., 140., 150., -999., -999., 270., -999., -999., &
390	270., 150., -999., 300., 422./)/41000
391	!
392	!-- Set max, min for vapour pressure deficit vpd
393	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, &
394	1.0, -999., 0.9, 2.8/)
395	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, &
396	3.25, -999., 2.8, 4.5/)
397
398
399	PUBLIC nest_chemistry
400	PUBLIC nspec
401	PUBLIC nreact
402	PUBLIC nvar
403	PUBLIC spc_names
404	PUBLIC spec_conc_2
405
406	!
407	!-- Interface section
408	INTERFACE chem_3d_data_averaging
409	MODULE PROCEDURE chem_3d_data_averaging
410	END INTERFACE chem_3d_data_averaging
411
412	INTERFACE chem_boundary_conds
413	MODULE PROCEDURE chem_boundary_conds
414	MODULE PROCEDURE chem_boundary_conds_decycle
415	END INTERFACE chem_boundary_conds
416
417	INTERFACE chem_check_data_output
418	MODULE PROCEDURE chem_check_data_output
419	END INTERFACE chem_check_data_output
420
421	INTERFACE chem_data_output_2d
422	MODULE PROCEDURE chem_data_output_2d
423	END INTERFACE chem_data_output_2d
424
425	INTERFACE chem_data_output_3d
426	MODULE PROCEDURE chem_data_output_3d
427	END INTERFACE chem_data_output_3d
428
429	INTERFACE chem_data_output_mask
430	MODULE PROCEDURE chem_data_output_mask
431	END INTERFACE chem_data_output_mask
432
433	INTERFACE chem_check_data_output_pr
434	MODULE PROCEDURE chem_check_data_output_pr
435	END INTERFACE chem_check_data_output_pr
436
437	INTERFACE chem_check_parameters
438	MODULE PROCEDURE chem_check_parameters
439	END INTERFACE chem_check_parameters
440
441	INTERFACE chem_define_netcdf_grid
442	MODULE PROCEDURE chem_define_netcdf_grid
443	END INTERFACE chem_define_netcdf_grid
444
445	INTERFACE chem_header
446	MODULE PROCEDURE chem_header
447	END INTERFACE chem_header
448
449	INTERFACE chem_init
450	MODULE PROCEDURE chem_init
451	END INTERFACE chem_init
452
453	INTERFACE chem_init_profiles
454	MODULE PROCEDURE chem_init_profiles
455	END INTERFACE chem_init_profiles
456
457	INTERFACE chem_integrate
458	MODULE PROCEDURE chem_integrate_ij
459	END INTERFACE chem_integrate
460
461	INTERFACE chem_parin
462	MODULE PROCEDURE chem_parin
463	END INTERFACE chem_parin
464
465	INTERFACE chem_prognostic_equations
466	MODULE PROCEDURE chem_prognostic_equations
467	MODULE PROCEDURE chem_prognostic_equations_ij
468	END INTERFACE chem_prognostic_equations
469
470	INTERFACE chem_rrd_local
471	MODULE PROCEDURE chem_rrd_local
472	END INTERFACE chem_rrd_local
473
474	INTERFACE chem_statistics
475	MODULE PROCEDURE chem_statistics
476	END INTERFACE chem_statistics
477
478	INTERFACE chem_swap_timelevel
479	MODULE PROCEDURE chem_swap_timelevel
480	END INTERFACE chem_swap_timelevel
481
482	INTERFACE chem_wrd_local
483	MODULE PROCEDURE chem_wrd_local
484	END INTERFACE chem_wrd_local
485
486	INTERFACE chem_depo
487	MODULE PROCEDURE chem_depo
488	END INTERFACE chem_depo
489
490	INTERFACE drydepos_gas_depac
491	MODULE PROCEDURE drydepos_gas_depac
492	END INTERFACE drydepos_gas_depac
493
494	INTERFACE rc_special
495	MODULE PROCEDURE rc_special
496	END INTERFACE rc_special
497
498	INTERFACE rc_gw
499	MODULE PROCEDURE rc_gw
500	END INTERFACE rc_gw
501
502	INTERFACE rw_so2
503	MODULE PROCEDURE rw_so2
504	END INTERFACE rw_so2
505
506	INTERFACE rw_nh3_sutton
507	MODULE PROCEDURE rw_nh3_sutton
508	END INTERFACE rw_nh3_sutton
509
510	INTERFACE rw_constant
511	MODULE PROCEDURE rw_constant
512	END INTERFACE rw_constant
513
514	INTERFACE rc_gstom
515	MODULE PROCEDURE rc_gstom
516	END INTERFACE rc_gstom
517
518	INTERFACE rc_gstom_emb
519	MODULE PROCEDURE rc_gstom_emb
520	END INTERFACE rc_gstom_emb
521
522	INTERFACE par_dir_diff
523	MODULE PROCEDURE par_dir_diff
524	END INTERFACE par_dir_diff
525
526	INTERFACE rc_get_vpd
527	MODULE PROCEDURE rc_get_vpd
528	END INTERFACE rc_get_vpd
529
530	INTERFACE rc_gsoil_eff
531	MODULE PROCEDURE rc_gsoil_eff
532	END INTERFACE rc_gsoil_eff
533
534	INTERFACE rc_rinc
535	MODULE PROCEDURE rc_rinc
536	END INTERFACE rc_rinc
537
538	INTERFACE rc_rctot
539	MODULE PROCEDURE rc_rctot
540	END INTERFACE rc_rctot
541
542	INTERFACE rc_comp_point_rc_eff
543	MODULE PROCEDURE rc_comp_point_rc_eff
544	END INTERFACE rc_comp_point_rc_eff
545
546	INTERFACE drydepo_aero_zhang_vd
547	MODULE PROCEDURE drydepo_aero_zhang_vd
548	END INTERFACE drydepo_aero_zhang_vd
549
550	INTERFACE get_rb_cell
551	MODULE PROCEDURE get_rb_cell
552	END INTERFACE get_rb_cell
553
554
555
556	PUBLIC chem_3d_data_averaging, chem_boundary_conds, chem_check_data_output, &
557	chem_check_data_output_pr, chem_check_parameters, &
558	chem_data_output_2d, chem_data_output_3d, chem_data_output_mask, &
559	chem_define_netcdf_grid, chem_header, chem_init, &
560	chem_init_profiles, chem_integrate, chem_parin, &
561	chem_prognostic_equations, chem_rrd_local, &
562	chem_statistics, chem_swap_timelevel, chem_wrd_local, chem_depo
563
564
565
566	CONTAINS
567
568	!
569	!------------------------------------------------------------------------------!
570	!
571	! Description:
572	! ------------
573	!> Subroutine for averaging 3D data of chemical species. Due to the fact that
574	!> the averaged chem arrays are allocated in chem_init, no if-query concerning
575	!> the allocation is required (in any mode). Attention: If you just specify an
576	!> averaged output quantity in the _p3dr file during restarts the first output
577	!> includes the time between the beginning of the restart run and the first
578	!> output time (not necessarily the whole averaging_interval you have
579	!> specified in your _p3d/_p3dr file )
580	!------------------------------------------------------------------------------!
581
582	SUBROUTINE chem_3d_data_averaging( mode, variable )
583
584	USE control_parameters
585
586	USE indices
587
588	USE kinds
589
590	USE surface_mod, &
591	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
592
593	IMPLICIT NONE
594
595	CHARACTER (LEN=*) :: mode !<
596	CHARACTER (LEN=*) :: variable !<
597
598	LOGICAL :: match_def !< flag indicating natural-type surface
599	LOGICAL :: match_lsm !< flag indicating natural-type surface
600	LOGICAL :: match_usm !< flag indicating urban-type surface
601
602	INTEGER(iwp) :: i !< grid index x direction
603	INTEGER(iwp) :: j !< grid index y direction
604	INTEGER(iwp) :: k !< grid index z direction
605	INTEGER(iwp) :: m !< running index surface type
606	INTEGER(iwp) :: lsp !< running index for chem spcs
607
608	IF ( (variable(1:3) == 'kc_' .OR. variable(1:3) == 'em_') ) THEN
609
610	IF ( mode == 'allocate' ) THEN
611	DO lsp = 1, nspec
612	IF ( TRIM(variable(1:3)) == 'kc_' .AND. &
613	TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN
614	chem_species(lsp)%conc_av = 0.0_wp
615	ENDIF
616	ENDDO
617
618	ELSEIF ( mode == 'sum' ) THEN
619
620	DO lsp = 1, nspec
621	IF ( TRIM(variable(1:3)) == 'kc_' .AND. &
622	TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN
623	DO i = nxlg, nxrg
624	DO j = nysg, nyng
625	DO k = nzb, nzt+1
626	chem_species(lsp)%conc_av(k,j,i) = chem_species(lsp)%conc_av(k,j,i) + &
627	chem_species(lsp)%conc(k,j,i)
628	ENDDO
629	ENDDO
630	ENDDO
631	ELSEIF ( TRIM(variable(4:)) == TRIM('cssws*') ) THEN
632	DO i = nxl, nxr
633	DO j = nys, nyn
634	match_def = surf_def_h(0)%start_index(j,i) <= &
635	surf_def_h(0)%end_index(j,i)
636	match_lsm = surf_lsm_h%start_index(j,i) <= &
637	surf_lsm_h%end_index(j,i)
638	match_usm = surf_usm_h%start_index(j,i) <= &
639	surf_usm_h%end_index(j,i)
640
641	IF ( match_def ) THEN
642	m = surf_def_h(0)%end_index(j,i)
643	chem_species(lsp)%cssws_av(j,i) = &
644	chem_species(lsp)%cssws_av(j,i) + &
645	surf_def_h(0)%cssws(lsp,m)
646	ELSEIF ( match_lsm .AND. .NOT. match_usm ) THEN
647	m = surf_lsm_h%end_index(j,i)
648	chem_species(lsp)%cssws_av(j,i) = &
649	chem_species(lsp)%cssws_av(j,i) + &
650	surf_lsm_h%cssws(lsp,m)
651	ELSEIF ( match_usm ) THEN
652	m = surf_usm_h%end_index(j,i)
653	chem_species(lsp)%cssws_av(j,i) = &
654	chem_species(lsp)%cssws_av(j,i) + &
655	surf_usm_h%cssws(lsp,m)
656	ENDIF
657	ENDDO
658	ENDDO
659	ENDIF
660	ENDDO
661
662	ELSEIF ( mode == 'average' ) THEN
663	DO lsp = 1, nspec
664	IF ( TRIM(variable(1:3)) == 'kc_' .AND. &
665	TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN
666	DO i = nxlg, nxrg
667	DO j = nysg, nyng
668	DO k = nzb, nzt+1
669	chem_species(lsp)%conc_av(k,j,i) = chem_species(lsp)%conc_av(k,j,i) / REAL( average_count_3d, KIND=wp )
670	ENDDO
671	ENDDO
672	ENDDO
673
674	ELSEIF (TRIM(variable(4:)) == TRIM('cssws*') ) THEN
675	DO i = nxlg, nxrg
676	DO j = nysg, nyng
677	chem_species(lsp)%cssws_av(j,i) = chem_species(lsp)%cssws_av(j,i) / REAL( average_count_3d, KIND=wp )
678	ENDDO
679	ENDDO
680	CALL exchange_horiz_2d( chem_species(lsp)%cssws_av, nbgp )
681	ENDIF
682	ENDDO
683
684	ENDIF
685
686	ENDIF
687
688	END SUBROUTINE chem_3d_data_averaging
689
690	!
691	!------------------------------------------------------------------------------!
692	!
693	! Description:
694	! ------------
695	!> Subroutine to initialize and set all boundary conditions for chemical species
696	!------------------------------------------------------------------------------!
697
698	SUBROUTINE chem_boundary_conds( mode )
699
700	USE control_parameters, &
701	ONLY: air_chemistry, bc_radiation_l, bc_radiation_n, bc_radiation_r, &
702	bc_radiation_s
703	USE indices, &
704	ONLY: nxl, nxr, nxlg, nxrg, nyng, nysg, nzt
705
706	USE arrays_3d, &
707	ONLY: dzu
708
709	USE surface_mod, &
710	ONLY: bc_h
711
712	CHARACTER (len=*), INTENT(IN) :: mode
713	INTEGER(iwp) :: i !< grid index x direction.
714	INTEGER(iwp) :: j !< grid index y direction.
715	INTEGER(iwp) :: k !< grid index z direction.
716	INTEGER(iwp) :: kb !< variable to set respective boundary value, depends on facing.
717	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls.
718	INTEGER(iwp) :: m !< running index surface elements.
719	INTEGER(iwp) :: lsp !< running index for chem spcs.
720	INTEGER(iwp) :: lph !< running index for photolysis frequencies
721
722
723	SELECT CASE ( TRIM( mode ) )
724	CASE ( 'init' )
725
726	IF ( bc_cs_b == 'dirichlet' ) THEN
727	ibc_cs_b = 0
728	ELSEIF ( bc_cs_b == 'neumann' ) THEN
729	ibc_cs_b = 1
730	ELSE
731	message_string = 'unknown boundary condition: bc_cs_b ="' // TRIM( bc_cs_b ) // '"'
732	CALL message( 'chem_boundary_conds', 'CM0429', 1, 2, 0, 6, 0 ) !<
733	ENDIF
734	!
735	!-- Set Integer flags and check for possible erroneous settings for top
736	!-- boundary condition.
737	IF ( bc_cs_t == 'dirichlet' ) THEN
738	ibc_cs_t = 0
739	ELSEIF ( bc_cs_t == 'neumann' ) THEN
740	ibc_cs_t = 1
741	ELSEIF ( bc_cs_t == 'initial_gradient' ) THEN
742	ibc_cs_t = 2
743	ELSEIF ( bc_cs_t == 'nested' ) THEN
744	ibc_cs_t = 3
745	ELSE
746	message_string = 'unknown boundary condition: bc_c_t ="' // TRIM( bc_cs_t ) // '"'
747	CALL message( 'check_parameters', 'CM0430', 1, 2, 0, 6, 0 )
748	ENDIF
749
750
751	CASE ( 'set_bc_bottomtop' )
752	!-- Bottom boundary condtions for chemical species
753	DO lsp = 1, nspec
754	IF ( ibc_cs_b == 0 ) THEN
755	DO l = 0, 1
756	!-- Set index kb: For upward-facing surfaces (l=0), kb=-1, i.e.
757	!-- the chem_species(nspec)%conc_p value at the topography top (k-1)
758	!-- is set; for downward-facing surfaces (l=1), kb=1, i.e. the
759	!-- value at the topography bottom (k+1) is set.
760
761	kb = MERGE( -1, 1, l == 0 )
762	!$OMP PARALLEL DO PRIVATE( i, j, k )
763	DO m = 1, bc_h(l)%ns
764	i = bc_h(l)%i(m)
765	j = bc_h(l)%j(m)
766	k = bc_h(l)%k(m)
767	chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc(k+kb,j,i)
768	ENDDO
769	ENDDO
770
771	ELSEIF ( ibc_cs_b == 1 ) THEN
772	!-- in boundary_conds there is som extra loop over m here for passive tracer
773	DO l = 0, 1
774	kb = MERGE( -1, 1, l == 0 )
775	!$OMP PARALLEL DO PRIVATE( i, j, k )
776	DO m = 1, bc_h(l)%ns
777	i = bc_h(l)%i(m)
778	j = bc_h(l)%j(m)
779	k = bc_h(l)%k(m)
780	chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc_p(k,j,i)
781
782	ENDDO
783	ENDDO
784	ENDIF
785	ENDDO ! end lsp loop
786
787	!-- Top boundary conditions for chemical species - Should this not be done for all species?
788	IF ( ibc_cs_t == 0 ) THEN
789	DO lsp = 1, nspec
790	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc(nzt+1,:,:)
791	ENDDO
792	ELSEIF ( ibc_cs_t == 1 ) THEN
793	DO lsp = 1, nspec
794	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:)
795	ENDDO
796	ELSEIF ( ibc_cs_t == 2 ) THEN
797	DO lsp = 1, nspec
798	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:) + bc_cs_t_val(lsp) * dzu(nzt+1)
799	ENDDO
800	ENDIF
801	!
802	CASE ( 'set_bc_lateral' )
803	!-- Lateral boundary conditions for chem species at inflow boundary
804	!-- are automatically set when chem_species concentration is
805	!-- initialized. The initially set value at the inflow boundary is not
806	!-- touched during time integration, hence, this boundary value remains
807	!-- at a constant value, which is the concentration that flows into the
808	!-- domain.
809	!-- Lateral boundary conditions for chem species at outflow boundary
810
811	IF ( bc_radiation_s ) THEN
812	DO lsp = 1, nspec
813	chem_species(lsp)%conc_p(:,nys-1,:) = chem_species(lsp)%conc_p(:,nys,:)
814	ENDDO
815	ELSEIF ( bc_radiation_n ) THEN
816	DO lsp = 1, nspec
817	chem_species(lsp)%conc_p(:,nyn+1,:) = chem_species(lsp)%conc_p(:,nyn,:)
818	ENDDO
819	ELSEIF ( bc_radiation_l ) THEN
820	DO lsp = 1, nspec
821	chem_species(lsp)%conc_p(:,:,nxl-1) = chem_species(lsp)%conc_p(:,:,nxl)
822	ENDDO
823	ELSEIF ( bc_radiation_r ) THEN
824	DO lsp = 1, nspec
825	chem_species(lsp)%conc_p(:,:,nxr+1) = chem_species(lsp)%conc_p(:,:,nxr)
826	ENDDO
827	ENDIF
828
829	END SELECT
830
831	END SUBROUTINE chem_boundary_conds
832
833	!
834	!------------------------------------------------------------------------------!
835	! Description:
836	! ------------
837	!> Boundary conditions for prognostic variables in chemistry: decycling in the
838	!> x-direction
839	!-----------------------------------------------------------------------------
840	SUBROUTINE chem_boundary_conds_decycle( cs_3d, cs_pr_init )
841
842	USE pegrid, &
843	ONLY: myid
844
845	IMPLICIT NONE
846	INTEGER(iwp) :: boundary !<
847	INTEGER(iwp) :: ee !<
848	INTEGER(iwp) :: copied !<
849	INTEGER(iwp) :: i !<
850	INTEGER(iwp) :: j !<
851	INTEGER(iwp) :: k !<
852	INTEGER(iwp) :: ss !<
853	REAL(wp), DIMENSION(nzb:nzt+1) :: cs_pr_init
854	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: cs_3d
855	REAL(wp) :: flag !< flag to mask topography grid points
856
857	flag = 0.0_wp
858
859
860	!-- Left and right boundaries
861	IF ( decycle_chem_lr .AND. bc_lr_cyc ) THEN
862
863	DO boundary = 1, 2
864
865	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
866	!
867	!-- Initial profile is copied to ghost and first three layers
868	ss = 1
869	ee = 0
870	IF ( boundary == 1 .AND. nxl == 0 ) THEN
871	ss = nxlg
872	ee = nxl+2
873	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
874	ss = nxr-2
875	ee = nxrg
876	ENDIF
877
878	DO i = ss, ee
879	DO j = nysg, nyng
880	DO k = nzb+1, nzt
881	flag = MERGE( 1.0_wp, 0.0_wp, &
882	BTEST( wall_flags_0(k,j,i), 0 ) )
883	cs_3d(k,j,i) = cs_pr_init(k) * flag
884	ENDDO
885	ENDDO
886	ENDDO
887
888	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
889	!
890	!-- The value at the boundary is copied to the ghost layers to simulate
891	!-- an outlet with zero gradient
892	ss = 1
893	ee = 0
894	IF ( boundary == 1 .AND. nxl == 0 ) THEN
895	ss = nxlg
896	ee = nxl-1
897	copied = nxl
898	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
899	ss = nxr+1
900	ee = nxrg
901	copied = nxr
902	ENDIF
903
904	DO i = ss, ee
905	DO j = nysg, nyng
906	DO k = nzb+1, nzt
907	flag = MERGE( 1.0_wp, 0.0_wp, &
908	BTEST( wall_flags_0(k,j,i), 0 ) )
909	cs_3d(k,j,i) = cs_3d(k,j,copied) * flag
910	ENDDO
911	ENDDO
912	ENDDO
913
914	ELSE
915	WRITE(message_string,*) &
916	'unknown decycling method: decycle_method (', &
917	boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"'
918	CALL message( 'chem_boundary_conds_decycle', 'CM0431', &
919	1, 2, 0, 6, 0 )
920	ENDIF
921	ENDDO
922	ENDIF
923
924
925	!-- South and north boundaries
926	IF ( decycle_chem_ns .AND. bc_ns_cyc ) THEN
927
928	DO boundary = 3, 4
929
930	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
931	!
932	!-- Initial profile is copied to ghost and first three layers
933	ss = 1
934	ee = 0
935	IF ( boundary == 3 .AND. nys == 0 ) THEN
936	ss = nysg
937	ee = nys+2
938	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
939	ss = nyn-2
940	ee = nyng
941	ENDIF
942
943	DO i = nxlg, nxrg
944	DO j = ss, ee
945	DO k = nzb+1, nzt
946	flag = MERGE( 1.0_wp, 0.0_wp, &
947	BTEST( wall_flags_0(k,j,i), 0 ) )
948	cs_3d(k,j,i) = cs_pr_init(k) * flag
949	ENDDO
950	ENDDO
951	ENDDO
952
953
954	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
955	!
956	!-- The value at the boundary is copied to the ghost layers to simulate
957	!-- an outlet with zero gradient
958	ss = 1
959	ee = 0
960	IF ( boundary == 3 .AND. nys == 0 ) THEN
961	ss = nysg
962	ee = nys-1
963	copied = nys
964	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
965	ss = nyn+1
966	ee = nyng
967	copied = nyn
968	ENDIF
969
970	DO i = nxlg, nxrg
971	DO j = ss, ee
972	DO k = nzb+1, nzt
973	flag = MERGE( 1.0_wp, 0.0_wp, &
974	BTEST( wall_flags_0(k,j,i), 0 ) )
975	cs_3d(k,j,i) = cs_3d(k,copied,i) * flag
976	ENDDO
977	ENDDO
978	ENDDO
979
980	ELSE
981	WRITE(message_string,*) &
982	'unknown decycling method: decycle_method (', &
983	boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"'
984	CALL message( 'chem_boundary_conds_decycle', 'CM0432', &
985	1, 2, 0, 6, 0 )
986	ENDIF
987	ENDDO
988	ENDIF
989	END SUBROUTINE chem_boundary_conds_decycle
990	!
991	!------------------------------------------------------------------------------!
992	!
993	! Description:
994	! ------------
995	!> Subroutine for checking data output for chemical species
996	!------------------------------------------------------------------------------!
997
998	SUBROUTINE chem_check_data_output( var, unit, i, ilen, k )
999
1000
1001	USE control_parameters, &
1002	ONLY: data_output, message_string
1003
1004	IMPLICIT NONE
1005
1006	CHARACTER (LEN=*) :: unit !<
1007	CHARACTER (LEN=*) :: var !<
1008
1009	INTEGER(iwp) :: i
1010	INTEGER(iwp) :: lsp
1011	INTEGER(iwp) :: ilen
1012	INTEGER(iwp) :: k
1013
1014	CHARACTER(len=16) :: spec_name
1015
1016	unit = 'illegal'
1017
1018	spec_name = TRIM(var(4:)) !< var 1:3 is 'kc_' or 'em_'.
1019
1020	IF ( TRIM(var(1:3)) == 'em_' ) THEN
1021	DO lsp=1,nspec
1022	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN
1023	unit = 'mol m-2 s-1'
1024	ENDIF
1025	!
1026	!-- It is possible to plant PM10 and PM25 into the gasphase chemistry code
1027	!-- as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms):
1028	!-- set unit to micrograms per m**3 for PM10 and PM25 (PM2.5)
1029	IF (spec_name(1:2) == 'PM') THEN
1030	unit = 'kg m-2 s-1'
1031	ENDIF
1032	ENDDO
1033
1034	ELSE
1035
1036	DO lsp=1,nspec
1037	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN
1038	unit = 'ppm'
1039	ENDIF
1040	!
1041	!-- It is possible to plant PM10 and PM25 into the gasphase chemistry code
1042	!-- as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms):
1043	!-- set unit to kilograms per m**3 for PM10 and PM25 (PM2.5)
1044	IF (spec_name(1:2) == 'PM') THEN
1045	unit = 'kg m-3'
1046	ENDIF
1047	ENDDO
1048
1049	DO lsp=1,nphot
1050	IF (TRIM(spec_name) == TRIM(phot_frequen(lsp)%name)) THEN
1051	unit = 'sec-1'
1052	ENDIF
1053	ENDDO
1054	ENDIF
1055
1056
1057	RETURN
1058	END SUBROUTINE chem_check_data_output
1059	!
1060	!------------------------------------------------------------------------------!
1061	!
1062	! Description:
1063	! ------------
1064	!> Subroutine for checking data output of profiles for chemistry model
1065	!------------------------------------------------------------------------------!
1066
1067	SUBROUTINE chem_check_data_output_pr( variable, var_count, unit, dopr_unit )
1068
1069	USE arrays_3d
1070	USE control_parameters, &
1071	ONLY: air_chemistry, data_output_pr, message_string
1072	USE indices
1073	USE profil_parameter
1074	USE statistics
1075
1076
1077	IMPLICIT NONE
1078
1079	CHARACTER (LEN=*) :: unit !<
1080	CHARACTER (LEN=*) :: variable !<
1081	CHARACTER (LEN=*) :: dopr_unit
1082	CHARACTER(len=16) :: spec_name
1083
1084	INTEGER(iwp) :: var_count, lsp !<
1085
1086
1087	spec_name = TRIM(variable(4:))
1088
1089	IF ( .NOT. air_chemistry ) THEN
1090	message_string = 'data_output_pr = ' // &
1091	TRIM( data_output_pr(var_count) ) // ' is not imp' // &
1092	'lemented for air_chemistry = .FALSE.'
1093	CALL message( 'chem_check_parameters', 'CM0433', 1, 2, 0, 6, 0 )
1094
1095	ELSE
1096	DO lsp = 1, nspec
1097	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) ) THEN
1098	cs_pr_count = cs_pr_count+1
1099	cs_pr_index(cs_pr_count) = lsp
1100	dopr_index(var_count) = pr_palm+cs_pr_count
1101	dopr_unit = 'ppm'
1102	IF (spec_name(1:2) == 'PM') THEN
1103	dopr_unit = 'kg m-3'
1104	ENDIF
1105	hom(:,2, dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
1106	unit = dopr_unit
1107	ENDIF
1108	ENDDO
1109	ENDIF
1110
1111	END SUBROUTINE chem_check_data_output_pr
1112
1113	!
1114	!------------------------------------------------------------------------------!
1115	! Description:
1116	! ------------
1117	!> Check parameters routine for chemistry_model_mod
1118	!------------------------------------------------------------------------------!
1119	SUBROUTINE chem_check_parameters
1120
1121	IMPLICIT NONE
1122
1123	LOGICAL :: found
1124	INTEGER (iwp) :: lsp_usr !< running index for user defined chem spcs
1125	INTEGER (iwp) :: lsp !< running index for chem spcs.
1126	CHARACTER (LEN=30) :: cs_mech,a1,b1,string
1127
1128
1129	OPEN (10,FILE="chem_gasphase_mod.f90") !get the chem_mechanism name from the file.
1130	READ (10, 100) a1,b1,string
1131	cs_mech = trim(string(16:))
1132	100 FORMAT(a)
1133	CLOSE(10)
1134
1135	!
1136	!-- check for chemical reactions status
1137	IF ( chem_gasphase_on ) THEN
1138	message_string = 'Chemical reactions: ON'
1139	CALL message( 'chem_check_parameters', 'CM0421', 0, 0, 0, 6, 0 )
1140	ELSEIF ( .not. (chem_gasphase_on) ) THEN
1141	message_string = 'Chemical reactions: OFF'
1142	CALL message( 'chem_check_parameters', 'CM0422', 0, 0, 0, 6, 0 )
1143	ENDIF
1144
1145	!-- check for chemistry time-step
1146	IF ( call_chem_at_all_substeps ) THEN
1147	message_string = 'Chemistry is calculated at all meteorology time-step'
1148	CALL message( 'chem_check_parameters', 'CM0423', 0, 0, 0, 6, 0 )
1149	ELSEIF ( .not. (call_chem_at_all_substeps) ) THEN
1150	message_string = 'Sub-time-steps are skipped for chemistry time-steps'
1151	CALL message( 'chem_check_parameters', 'CM0424', 0, 0, 0, 6, 0 )
1152	ENDIF
1153
1154	!-- check for photolysis scheme
1155	IF ( (photolysis_scheme /= 'simple') .AND. (photolysis_scheme /= 'constant') ) THEN
1156	message_string = 'Incorrect photolysis scheme selected, please check spelling'
1157	CALL message( 'chem_check_parameters', 'CM0425', 1, 2, 0, 6, 0 )
1158	ENDIF
1159
1160	!-- check for decycling of chem species
1161	IF ( (.not. any(decycle_method == 'neumann') ) .AND. (.not. any(decycle_method == 'dirichlet') ) ) THEN
1162	message_string = 'Incorrect boundary conditions. Only neumann or ' &
1163	// 'dirichlet &available for decycling chemical species '
1164	CALL message( 'chem_check_parameters', 'CM0426', 1, 2, 0, 6, 0 )
1165	ENDIF
1166	!-- check for chemical mechanism used
1167	IF (chem_mechanism /= trim(cs_mech) ) THEN
1168	message_string = 'Incorrect chemical mechanism selected, please check spelling and/or chem_gasphase_mod'
1169	CALL message( 'chem_check_parameters', 'CM0462', 1, 2, 0, 6, 0 )
1170	ENDIF
1171
1172
1173	!---------------------
1174	!-- chem_check_parameters is called before the array chem_species is allocated!
1175	!-- temporary switch of this part of the check
1176	! RETURN !bK commented
1177	!---------------------
1178
1179	!-- check for initial chem species input
1180	lsp_usr = 1
1181	lsp = 1
1182	DO WHILE ( cs_name (lsp_usr) /= 'novalue')
1183	found = .FALSE.
1184	DO lsp = 1, nvar
1185	IF ( TRIM(cs_name (lsp_usr)) == TRIM(chem_species(lsp)%name) ) THEN
1186	found = .TRUE.
1187	EXIT
1188	ENDIF
1189	ENDDO
1190	IF ( .not. found ) THEN
1191	message_string = 'Unused/incorrect input for initial surface value: ' // TRIM(cs_name(lsp_usr))
1192	CALL message( 'chem_check_parameters', 'CM0427', 1, 2, 0, 6, 0 )
1193	ENDIF
1194	lsp_usr = lsp_usr + 1
1195	ENDDO
1196
1197	!-- check for surface emission flux chem species
1198
1199	lsp_usr = 1
1200	lsp = 1
1201	DO WHILE ( surface_csflux_name (lsp_usr) /= 'novalue')
1202	found = .FALSE.
1203	DO lsp = 1, nvar
1204	IF ( TRIM(surface_csflux_name (lsp_usr)) == TRIM(chem_species(lsp)%name) ) THEN
1205	found = .TRUE.
1206	EXIT
1207	ENDIF
1208	ENDDO
1209	IF ( .not. found ) THEN
1210	message_string = 'Unused/incorrect input of chemical species for surface emission fluxes: ' &
1211	// TRIM(surface_csflux_name(lsp_usr))
1212	CALL message( 'chem_check_parameters', 'CM0428', 1, 2, 0, 6, 0 )
1213	ENDIF
1214	lsp_usr = lsp_usr + 1
1215	ENDDO
1216
1217	END SUBROUTINE chem_check_parameters
1218
1219	!
1220	!------------------------------------------------------------------------------!
1221	!
1222	! Description:
1223	! ------------
1224	!> Subroutine defining 2D output variables for chemical species
1225	!> @todo: Remove "mode" from argument list, not used.
1226	!------------------------------------------------------------------------------!
1227
1228	SUBROUTINE chem_data_output_2d( av, variable, found, grid, mode, local_pf, &
1229	two_d, nzb_do, nzt_do, fill_value )
1230
1231	USE indices
1232
1233	USE kinds
1234
1235	USE pegrid, &
1236	ONLY: myid, threads_per_task
1237
1238	IMPLICIT NONE
1239
1240	CHARACTER (LEN=*) :: grid !<
1241	CHARACTER (LEN=*) :: mode !<
1242	CHARACTER (LEN=*) :: variable !<
1243	INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data
1244	INTEGER(iwp) :: nzb_do !< lower limit of the domain (usually nzb)
1245	INTEGER(iwp) :: nzt_do !< upper limit of the domain (usually nzt+1)
1246	LOGICAL :: found !<
1247	LOGICAL :: two_d !< flag parameter that indicates 2D variables (horizontal cross sections)
1248	REAL(wp) :: fill_value
1249	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb:nzt+1) :: local_pf
1250
1251	!
1252	!-- local variables.
1253	CHARACTER(len=16) :: spec_name
1254	INTEGER(iwp) :: lsp
1255	INTEGER(iwp) :: i !< grid index along x-direction
1256	INTEGER(iwp) :: j !< grid index along y-direction
1257	INTEGER(iwp) :: k !< grid index along z-direction
1258	INTEGER(iwp) :: m !< running index surface elements
1259	INTEGER(iwp) :: char_len !< length of a character string
1260	found = .FALSE.
1261	char_len = LEN_TRIM(variable)
1262
1263	spec_name = TRIM( variable(4:char_len-3) )
1264
1265	DO lsp=1,nspec
1266	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name) .AND. &
1267	( (variable(char_len-2:) == '_xy') .OR. &
1268	(variable(char_len-2:) == '_xz') .OR. &
1269	(variable(char_len-2:) == '_yz') ) ) THEN
1270	!
1271	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1272	! IF(myid == 0) WRITE(6,*) 'Output of species ' // TRIM(variable) // &
1273	! TRIM(chem_species(lsp)%name)
1274	IF (av == 0) THEN
1275	DO i = nxl, nxr
1276	DO j = nys, nyn
1277	DO k = nzb_do, nzt_do
1278	local_pf(i,j,k) = MERGE( &
1279	chem_species(lsp)%conc(k,j,i), &
1280	REAL( fill_value, KIND = wp ), &
1281	BTEST( wall_flags_0(k,j,i), 0 ) )
1282
1283
1284	ENDDO
1285	ENDDO
1286	ENDDO
1287
1288	ELSE
1289	DO i = nxl, nxr
1290	DO j = nys, nyn
1291	DO k = nzb_do, nzt_do
1292	local_pf(i,j,k) = MERGE( &
1293	chem_species(lsp)%conc_av(k,j,i), &
1294	REAL( fill_value, KIND = wp ), &
1295	BTEST( wall_flags_0(k,j,i), 0 ) )
1296	ENDDO
1297	ENDDO
1298	ENDDO
1299	ENDIF
1300	grid = 'zu'
1301	found = .TRUE.
1302	ENDIF
1303	ENDDO
1304
1305	RETURN
1306
1307	END SUBROUTINE chem_data_output_2d
1308
1309	!
1310	!------------------------------------------------------------------------------!
1311	!
1312	! Description:
1313	! ------------
1314	!> Subroutine defining 3D output variables for chemical species
1315	!------------------------------------------------------------------------------!
1316
1317	SUBROUTINE chem_data_output_3d( av, variable, found, local_pf, fill_value, nzb_do, nzt_do )
1318
1319
1320	USE indices
1321
1322	USE kinds
1323
1324	USE surface_mod
1325
1326
1327	IMPLICIT NONE
1328
1329	CHARACTER (LEN=*) :: variable !<
1330	INTEGER(iwp) :: av !<
1331	INTEGER(iwp) :: nzb_do !< lower limit of the data output (usually 0)
1332	INTEGER(iwp) :: nzt_do !< vertical upper limit of the data output (usually nz_do3d)
1333
1334	LOGICAL :: found !<
1335
1336	REAL(wp) :: fill_value !<
1337	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf
1338
1339
1340	!-- local variables
1341	CHARACTER(len=16) :: spec_name
1342	INTEGER(iwp) :: i
1343	INTEGER(iwp) :: j
1344	INTEGER(iwp) :: k
1345	INTEGER(iwp) :: m !< running indices for surfaces
1346	INTEGER(iwp) :: l
1347	INTEGER(iwp) :: lsp !< running index for chem spcs
1348
1349
1350	found = .FALSE.
1351	IF ( .NOT. (variable(1:3) == 'kc_' .OR. variable(1:3) == 'em_' ) ) THEN
1352	RETURN
1353	ENDIF
1354
1355	spec_name = TRIM(variable(4:))
1356
1357	IF ( variable(1:3) == 'em_' ) THEN
1358
1359	local_pf = 0.0_wp
1360
1361	DO lsp = 1, nvar !!! cssws - nvar species, chem_species - nspec species !!!
1362	IF ( TRIM(spec_name) == TRIM(chem_species(lsp)%name) ) THEN
1363	!
1364	!-- no average for now
1365	DO m = 1, surf_usm_h%ns
1366	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),surf_usm_h%k(m)) = &
1367	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),surf_usm_h%k(m)) + surf_usm_h%cssws(lsp,m)
1368	ENDDO
1369	DO m = 1, surf_lsm_h%ns
1370	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),surf_lsm_h%k(m)) = &
1371	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),surf_lsm_h%k(m)) + surf_lsm_h%cssws(lsp,m)
1372	ENDDO
1373	DO l = 0, 3
1374	DO m = 1, surf_usm_v(l)%ns
1375	local_pf(surf_usm_v(l)%i(m),surf_usm_v(l)%j(m),surf_usm_v(l)%k(m)) = &
1376	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)
1377	ENDDO
1378	DO m = 1, surf_lsm_v(l)%ns
1379	local_pf(surf_lsm_v(l)%i(m),surf_lsm_v(l)%j(m),surf_lsm_v(l)%k(m)) = &
1380	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)
1381	ENDDO
1382	ENDDO
1383	found = .TRUE.
1384	ENDIF
1385	ENDDO
1386	ELSE
1387	DO lsp=1,nspec
1388	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN
1389	!
1390	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1391	! IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM(variable) // &
1392	! TRIM(chem_species(lsp)%name)
1393	IF (av == 0) THEN
1394	DO i = nxl, nxr
1395	DO j = nys, nyn
1396	DO k = nzb_do, nzt_do
1397	local_pf(i,j,k) = MERGE( &
1398	chem_species(lsp)%conc(k,j,i), &
1399	REAL( fill_value, KIND = wp ), &
1400	BTEST( wall_flags_0(k,j,i), 0 ) )
1401	ENDDO
1402	ENDDO
1403	ENDDO
1404
1405	ELSE
1406	DO i = nxl, nxr
1407	DO j = nys, nyn
1408	DO k = nzb_do, nzt_do
1409	local_pf(i,j,k) = MERGE( &
1410	chem_species(lsp)%conc_av(k,j,i),&
1411	REAL( fill_value, KIND = wp ), &
1412	BTEST( wall_flags_0(k,j,i), 0 ) )
1413	ENDDO
1414	ENDDO
1415	ENDDO
1416	ENDIF
1417	found = .TRUE.
1418	ENDIF
1419	ENDDO
1420	ENDIF
1421
1422	RETURN
1423
1424	END SUBROUTINE chem_data_output_3d
1425	!
1426	!------------------------------------------------------------------------------!
1427	!
1428	! Description:
1429	! ------------
1430	!> Subroutine defining mask output variables for chemical species
1431	!------------------------------------------------------------------------------!
1432
1433	SUBROUTINE chem_data_output_mask( av, variable, found, local_pf )
1434
1435	USE control_parameters
1436	USE indices
1437	USE kinds
1438	USE pegrid, &
1439	ONLY: myid, threads_per_task
1440	USE surface_mod, &
1441	ONLY: get_topography_top_index_ji
1442
1443	IMPLICIT NONE
1444
1445	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grids
1446
1447	CHARACTER (LEN=*):: variable !<
1448	INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data
1449	LOGICAL :: found !<
1450	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: &
1451	local_pf !<
1452
1453
1454	!-- local variables.
1455	CHARACTER(len=16) :: spec_name
1456	INTEGER(iwp) :: lsp
1457	INTEGER(iwp) :: i !< grid index along x-direction
1458	INTEGER(iwp) :: j !< grid index along y-direction
1459	INTEGER(iwp) :: k !< grid index along z-direction
1460	INTEGER(iwp) :: topo_top_ind !< k index of highest horizontal surface
1461
1462	found = .TRUE.
1463	grid = 's'
1464
1465	spec_name = TRIM( variable(4:) )
1466
1467	DO lsp=1,nspec
1468	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name) ) THEN
1469	!
1470	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1471	! IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM(variable) // &
1472	! TRIM(chem_species(lsp)%name)
1473	IF (av == 0) THEN
1474	IF ( .NOT. mask_surface(mid) ) THEN
1475
1476	DO i = 1, mask_size_l(mid,1)
1477	DO j = 1, mask_size_l(mid,2)
1478	DO k = 1, mask_size(mid,3)
1479	local_pf(i,j,k) = chem_species(lsp)%conc( &
1480	mask_k(mid,k), &
1481	mask_j(mid,j), &
1482	mask_i(mid,i) )
1483	ENDDO
1484	ENDDO
1485	ENDDO
1486
1487	ELSE
1488	!
1489	!-- Terrain-following masked output
1490	DO i = 1, mask_size_l(mid,1)
1491	DO j = 1, mask_size_l(mid,2)
1492	!
1493	!-- Get k index of highest horizontal surface
1494	topo_top_ind = get_topography_top_index_ji( &
1495	mask_j(mid,j), &
1496	mask_i(mid,i), &
1497	grid )
1498	!
1499	!-- Save output array
1500	DO k = 1, mask_size_l(mid,3)
1501	local_pf(i,j,k) = chem_species(lsp)%conc( &
1502	MIN( topo_top_ind+mask_k(mid,k), &
1503	nzt+1 ), &
1504	mask_j(mid,j), &
1505	mask_i(mid,i) )
1506	ENDDO
1507	ENDDO
1508	ENDDO
1509
1510	ENDIF
1511	ELSE
1512	IF ( .NOT. mask_surface(mid) ) THEN
1513
1514	DO i = 1, mask_size_l(mid,1)
1515	DO j = 1, mask_size_l(mid,2)
1516	DO k = 1, mask_size_l(mid,3)
1517	local_pf(i,j,k) = chem_species(lsp)%conc_av( &
1518	mask_k(mid,k), &
1519	mask_j(mid,j), &
1520	mask_i(mid,i) )
1521	ENDDO
1522	ENDDO
1523	ENDDO
1524
1525	ELSE
1526	!
1527	!-- Terrain-following masked output
1528	DO i = 1, mask_size_l(mid,1)
1529	DO j = 1, mask_size_l(mid,2)
1530	!
1531	!-- Get k index of highest horizontal surface
1532	topo_top_ind = get_topography_top_index_ji( &
1533	mask_j(mid,j), &
1534	mask_i(mid,i), &
1535	grid )
1536	!
1537	!-- Save output array
1538	DO k = 1, mask_size_l(mid,3)
1539	local_pf(i,j,k) = chem_species(lsp)%conc_av( &
1540	MIN( topo_top_ind+mask_k(mid,k), &
1541	nzt+1 ), &
1542	mask_j(mid,j), &
1543	mask_i(mid,i) )
1544	ENDDO
1545	ENDDO
1546	ENDDO
1547
1548	ENDIF
1549
1550
1551	ENDIF
1552	found = .FALSE.
1553	ENDIF
1554	ENDDO
1555
1556	RETURN
1557
1558	END SUBROUTINE chem_data_output_mask
1559
1560	!
1561	!------------------------------------------------------------------------------!
1562	!
1563	! Description:
1564	! ------------
1565	!> Subroutine defining appropriate grid for netcdf variables.
1566	!> It is called out from subroutine netcdf.
1567	!------------------------------------------------------------------------------!
1568	SUBROUTINE chem_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
1569
1570	IMPLICIT NONE
1571
1572	CHARACTER (LEN=*), INTENT(IN) :: var !<
1573	LOGICAL, INTENT(OUT) :: found !<
1574	CHARACTER (LEN=*), INTENT(OUT) :: grid_x !<
1575	CHARACTER (LEN=*), INTENT(OUT) :: grid_y !<
1576	CHARACTER (LEN=*), INTENT(OUT) :: grid_z !<
1577
1578	found = .TRUE.
1579
1580	IF ( var(1:3) == 'kc_' .OR. var(1:3) == 'em_' ) THEN !< always the same grid for chemistry variables
1581	grid_x = 'x'
1582	grid_y = 'y'
1583	grid_z = 'zu'
1584	ELSE
1585	found = .FALSE.
1586	grid_x = 'none'
1587	grid_y = 'none'
1588	grid_z = 'none'
1589	ENDIF
1590
1591
1592	END SUBROUTINE chem_define_netcdf_grid
1593	!
1594	!------------------------------------------------------------------------------!
1595	!
1596	! Description:
1597	! ------------
1598	!> Subroutine defining header output for chemistry model
1599	!------------------------------------------------------------------------------!
1600	SUBROUTINE chem_header( io )
1601
1602	IMPLICIT NONE
1603
1604	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
1605	INTEGER(iwp) :: lsp !< running index for chem spcs
1606	INTEGER(iwp) :: cs_fixed
1607	CHARACTER (LEN=80) :: docsflux_chr
1608	CHARACTER (LEN=80) :: docsinit_chr
1609	CHARACTER (LEN=30) :: cs_mech,a1,b1,string
1610
1611	!
1612	OPEN (10,FILE="chem_gasphase_mod.f90") !get the chem_mechanism name from the file.
1613	READ (10, 100) a1,b1,string
1614	cs_mech = trim(string(16:))
1615	100 FORMAT(a)
1616	CLOSE(10)
1617
1618	!-- Write chemistry model header
1619	WRITE( io, 1 )
1620
1621	!-- Gasphase reaction status
1622	IF ( chem_gasphase_on ) THEN
1623	WRITE( io, 2 )
1624	ELSE
1625	WRITE( io, 3 )
1626	ENDIF
1627
1628	!
1629	!-- Chemistry time-step
1630	WRITE ( io, 4 ) cs_time_step
1631
1632	!-- Emission mode info
1633	IF ( mode_emis == "DEFAULT" ) THEN
1634	WRITE( io, 5 )
1635	ELSEIF ( mode_emis == "PARAMETERIZED" ) THEN
1636	WRITE( io, 6 )
1637	ELSEIF ( mode_emis == "PRE-PROCESSED" ) THEN
1638	WRITE( io, 7 )
1639	ENDIF
1640
1641	!-- Photolysis scheme info
1642	IF ( photolysis_scheme == "simple" ) THEN
1643	WRITE( io, 8 )
1644	ELSEIF (photolysis_scheme == "constant" ) THEN
1645	WRITE( io, 9 )
1646	ENDIF
1647
1648	!-- Emission flux info
1649	lsp = 1
1650	docsflux_chr ='Chemical species for surface emission flux: '
1651	DO WHILE ( surface_csflux_name(lsp) /= 'novalue' )
1652	docsflux_chr = TRIM( docsflux_chr ) // ' ' // TRIM( surface_csflux_name(lsp) ) // ','
1653	IF ( LEN_TRIM( docsflux_chr ) >= 75 ) THEN
1654	WRITE ( io, 10 ) docsflux_chr
1655	docsflux_chr = ' '
1656	ENDIF
1657	lsp = lsp + 1
1658	ENDDO
1659
1660	IF ( docsflux_chr /= '' ) THEN
1661	WRITE ( io, 10 ) docsflux_chr
1662	ENDIF
1663
1664
1665	!-- initializatoin of Surface and profile chemical species
1666
1667	lsp = 1
1668	docsinit_chr ='Chemical species for initial surface and profile emissions: '
1669	DO WHILE ( cs_name(lsp) /= 'novalue' )
1670	docsinit_chr = TRIM( docsinit_chr ) // ' ' // TRIM( cs_name(lsp) ) // ','
1671	IF ( LEN_TRIM( docsinit_chr ) >= 75 ) THEN
1672	WRITE ( io, 11 ) docsinit_chr
1673	docsinit_chr = ' '
1674	ENDIF
1675	lsp = lsp + 1
1676	ENDDO
1677
1678	IF ( docsinit_chr /= '' ) THEN
1679	WRITE ( io, 11 ) docsinit_chr
1680	ENDIF
1681
1682	!-- number of variable and fix chemical species and number of reactions
1683	cs_fixed = nspec - nvar
1684
1685	WRITE ( io, * ) ' --> Chemical Mechanism : ', cs_mech
1686	WRITE ( io, * ) ' --> Chemical species, variable: ', nvar
1687	WRITE ( io, * ) ' --> Chemical species, fixed : ', cs_fixed
1688	WRITE ( io, * ) ' --> Total number of reactions : ', nreact
1689
1690
1691	1 FORMAT (//' Chemistry model information:'/ &
1692	' ----------------------------'/)
1693	2 FORMAT (' --> Chemical reactions are turned on')
1694	3 FORMAT (' --> Chemical reactions are turned off')
1695	4 FORMAT (' --> Time-step for chemical species: ',F6.2, ' s')
1696	5 FORMAT (' --> Emission mode = DEFAULT ')
1697	6 FORMAT (' --> Emission mode = PARAMETERIZED ')
1698	7 FORMAT (' --> Emission mode = PRE-PROCESSED ')
1699	8 FORMAT (' --> Photolysis scheme used = simple ')
1700	9 FORMAT (' --> Photolysis scheme used = constant ')
1701	10 FORMAT (/' ',A)
1702	11 FORMAT (/' ',A)
1703	!
1704	!
1705	END SUBROUTINE chem_header
1706
1707	!
1708	!------------------------------------------------------------------------------!
1709	!
1710	! Description:
1711	! ------------
1712	!> Subroutine initializating chemistry_model_mod
1713	!------------------------------------------------------------------------------!
1714	SUBROUTINE chem_init
1715
1716	USE control_parameters, &
1717	ONLY: message_string, io_blocks, io_group, turbulent_inflow
1718	USE arrays_3d, &
1719	ONLY: mean_inflow_profiles
1720	USE pegrid
1721
1722	IMPLICIT NONE
1723
1724	!
1725	!-- Local variables
1726	INTEGER(iwp) :: i !< running index for for horiz numerical grid points
1727	INTEGER(iwp) :: j !< running index for for horiz numerical grid points
1728	INTEGER(iwp) :: lsp !< running index for chem spcs
1729	INTEGER(iwp) :: lpr_lev !< running index for chem spcs profile level
1730
1731	!
1732	!-- Allocate memory for chemical species
1733	ALLOCATE( chem_species(nspec) )
1734	ALLOCATE( spec_conc_1 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1735	ALLOCATE( spec_conc_2 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1736	ALLOCATE( spec_conc_3 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1737	ALLOCATE( spec_conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1738	ALLOCATE( phot_frequen(nphot) )
1739	ALLOCATE( freq_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nphot) )
1740	ALLOCATE( bc_cs_t_val(nspec) )
1741	!
1742	!-- Initialize arrays
1743	spec_conc_1 (:,:,:,:) = 0.0_wp
1744	spec_conc_2 (:,:,:,:) = 0.0_wp
1745	spec_conc_3 (:,:,:,:) = 0.0_wp
1746	spec_conc_av(:,:,:,:) = 0.0_wp
1747
1748
1749	DO lsp = 1, nspec
1750	chem_species(lsp)%name = spc_names(lsp)
1751
1752	chem_species(lsp)%conc (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1 (:,:,:,lsp)
1753	chem_species(lsp)%conc_p (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2 (:,:,:,lsp)
1754	chem_species(lsp)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_3 (:,:,:,lsp)
1755	chem_species(lsp)%conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_av(:,:,:,lsp)
1756
1757	ALLOCATE (chem_species(lsp)%cssws_av(nysg:nyng,nxlg:nxrg))
1758	chem_species(lsp)%cssws_av = 0.0_wp
1759	!
1760	!-- The following block can be useful when emission module is not applied. &
1761	!-- if emission module is applied the following block will be overwritten.
1762	ALLOCATE (chem_species(lsp)%flux_s_cs(nzb+1:nzt,0:threads_per_task-1))
1763	ALLOCATE (chem_species(lsp)%diss_s_cs(nzb+1:nzt,0:threads_per_task-1))
1764	ALLOCATE (chem_species(lsp)%flux_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1))
1765	ALLOCATE (chem_species(lsp)%diss_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1))
1766	chem_species(lsp)%flux_s_cs = 0.0_wp
1767	chem_species(lsp)%flux_l_cs = 0.0_wp
1768	chem_species(lsp)%diss_s_cs = 0.0_wp
1769	chem_species(lsp)%diss_l_cs = 0.0_wp
1770	!
1771	!-- Allocate memory for initial concentration profiles
1772	!-- (concentration values come from namelist)
1773	!-- (@todo (FK): Because of this, chem_init is called in palm before
1774	!-- check_parameters, since conc_pr_init is used there.
1775	!-- We have to find another solution since chem_init should
1776	!-- eventually be called from init_3d_model!!)
1777	ALLOCATE ( chem_species(lsp)%conc_pr_init(0:nz+1) )
1778	chem_species(lsp)%conc_pr_init(:) = 0.0_wp
1779
1780	ENDDO
1781
1782	!
1783	!-- Initial concentration of profiles is prescribed by parameters cs_profile
1784	!-- and cs_heights in the namelist &chemistry_parameters
1785	CALL chem_init_profiles
1786
1787
1788	!
1789	!-- Initialize model variables
1790
1791
1792	IF ( TRIM( initializing_actions ) /= 'read_restart_data' .AND. &
1793	TRIM( initializing_actions ) /= 'cyclic_fill' ) THEN
1794
1795
1796	!-- First model run of a possible job queue.
1797	!-- Initial profiles of the variables must be computed.
1798	IF ( INDEX( initializing_actions, 'set_1d-model_profiles' ) /= 0 ) THEN
1799	CALL location_message( 'initializing with 1D chemistry model profiles', .FALSE. )
1800	!
1801	!-- Transfer initial profiles to the arrays of the 3D model
1802	DO lsp = 1, nspec
1803	DO i = nxlg, nxrg
1804	DO j = nysg, nyng
1805	DO lpr_lev = 1, nz + 1
1806	chem_species(lsp)%conc(lpr_lev,j,i) = chem_species(lsp)%conc_pr_init(lpr_lev)
1807	ENDDO
1808	ENDDO
1809	ENDDO
1810	ENDDO
1811
1812	ELSEIF ( INDEX(initializing_actions, 'set_constant_profiles') /= 0 ) &
1813	THEN
1814	CALL location_message( 'initializing with constant chemistry profiles', .FALSE. )
1815
1816	DO lsp = 1, nspec
1817	DO i = nxlg, nxrg
1818	DO j = nysg, nyng
1819	chem_species(lsp)%conc(:,j,i) = chem_species(lsp)%conc_pr_init
1820	ENDDO
1821	ENDDO
1822	ENDDO
1823
1824	ENDIF
1825
1826	!
1827	!-- If required, change the surface chem spcs at the start of the 3D run
1828	IF ( cs_surface_initial_change(1) /= 0.0_wp ) THEN
1829	DO lsp = 1, nspec
1830	chem_species(lsp)%conc(nzb,:,:) = chem_species(lsp)%conc(nzb,:,:) + &
1831	cs_surface_initial_change(lsp)
1832	ENDDO
1833	ENDIF
1834	!
1835	!-- Initiale old and new time levels.
1836	DO lsp = 1, nvar
1837	chem_species(lsp)%tconc_m = 0.0_wp
1838	chem_species(lsp)%conc_p = chem_species(lsp)%conc
1839	ENDDO
1840
1841	ENDIF
1842
1843
1844
1845	!--- new code add above this line
1846	DO lsp = 1, nphot
1847	phot_frequen(lsp)%name = phot_names(lsp)
1848	!
1849	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1850	! IF( myid == 0 ) THEN
1851	! WRITE(6,'(a,i4,3x,a)') 'Photolysis: ',lsp,TRIM(phot_names(lsp))
1852	! ENDIF
1853	phot_frequen(lsp)%freq(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => freq_1(:,:,:,lsp)
1854	ENDDO
1855
1856	RETURN
1857
1858	END SUBROUTINE chem_init
1859
1860	!
1861	!------------------------------------------------------------------------------!
1862	!
1863	! Description:
1864	! ------------
1865	!> Subroutine defining initial vertical profiles of chemical species (given by
1866	!> namelist parameters chem_profiles and chem_heights) --> which should work
1867	!> analogue to parameters u_profile, v_profile and uv_heights)
1868	!------------------------------------------------------------------------------!
1869	SUBROUTINE chem_init_profiles !< SUBROUTINE is called from chem_init in case of
1870	!< TRIM( initializing_actions ) /= 'read_restart_data'
1871	!< We still need to see what has to be done in case of restart run
1872	USE chem_modules
1873
1874	IMPLICIT NONE
1875
1876	!-- Local variables
1877	INTEGER :: lsp !< running index for number of species in derived data type species_def
1878	INTEGER :: lsp_usr !< running index for number of species (user defined) in cs_names, cs_profiles etc
1879	INTEGER :: lpr_lev !< running index for profile level for each chem spcs.
1880	INTEGER :: npr_lev !< the next available profile lev
1881
1882	!-----------------
1883	!-- Parameter "cs_profile" and "cs_heights" are used to prescribe user defined initial profiles
1884	!-- and heights. If parameter "cs_profile" is not prescribed then initial surface values
1885	!-- "cs_surface" are used as constant initial profiles for each species. If "cs_profile" and
1886	!-- "cs_heights" are prescribed, their values will!override the constant profile given by
1887	!-- "cs_surface".
1888	!
1889	IF ( TRIM( initializing_actions ) /= 'read_restart_data' ) THEN
1890	lsp_usr = 1
1891	DO WHILE ( TRIM( cs_name( lsp_usr ) ) /= 'novalue' ) !'novalue' is the default
1892	DO lsp = 1, nspec !
1893	!-- create initial profile (conc_pr_init) for each chemical species
1894	IF ( TRIM( chem_species(lsp)%name ) == TRIM( cs_name(lsp_usr) ) ) THEN !
1895	IF ( cs_profile(lsp_usr,1) == 9999999.9_wp ) THEN
1896	!-- set a vertically constant profile based on the surface conc (cs_surface(lsp_usr)) of each species
1897	DO lpr_lev = 0, nzt+1
1898	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_surface(lsp_usr)
1899	ENDDO
1900	ELSE
1901	IF ( cs_heights(1,1) /= 0.0_wp ) THEN
1902	message_string = 'The surface value of cs_heights must be 0.0'
1903	CALL message( 'chem_check_parameters', 'CM0434', 1, 2, 0, 6, 0 )
1904	ENDIF
1905
1906	use_prescribed_profile_data = .TRUE.
1907
1908	npr_lev = 1
1909	! chem_species(lsp)%conc_pr_init(0) = 0.0_wp
1910	DO lpr_lev = 1, nz+1
1911	IF ( npr_lev < 100 ) THEN
1912	DO WHILE ( cs_heights(lsp_usr, npr_lev+1) <= zu(lpr_lev) )
1913	npr_lev = npr_lev + 1
1914	IF ( npr_lev == 100 ) THEN
1915	message_string = 'number of chem spcs exceeding the limit'
1916	CALL message( 'chem_check_parameters', 'CM0435', 1, 2, 0, 6, 0 )
1917	EXIT
1918	ENDIF
1919	ENDDO
1920	ENDIF
1921	IF ( npr_lev < 100 .AND. cs_heights(lsp_usr, npr_lev + 1) /= 9999999.9_wp ) THEN
1922	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev) + &
1923	( zu(lpr_lev) - cs_heights(lsp_usr, npr_lev) ) / &
1924	( cs_heights(lsp_usr, (npr_lev + 1)) - cs_heights(lsp_usr, npr_lev ) ) * &
1925	( cs_profile(lsp_usr, (npr_lev + 1)) - cs_profile(lsp_usr, npr_lev ) )
1926	ELSE
1927	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev)
1928	ENDIF
1929	ENDDO
1930	ENDIF
1931	!-- If a profile is prescribed explicity using cs_profiles and cs_heights, then
1932	!-- chem_species(lsp)%conc_pr_init is populated with the specific "lsp" based
1933	!-- on the cs_profiles(lsp_usr,:) and cs_heights(lsp_usr,:).
1934	ENDIF
1935	ENDDO
1936	lsp_usr = lsp_usr + 1
1937	ENDDO
1938	ENDIF
1939
1940	END SUBROUTINE chem_init_profiles
1941	!
1942	!------------------------------------------------------------------------------!
1943	!
1944	! Description:
1945	! ------------
1946	!> Subroutine to integrate chemical species in the given chemical mechanism
1947	!------------------------------------------------------------------------------!
1948
1949	SUBROUTINE chem_integrate_ij( i, j )
1950
1951	USE cpulog, &
1952	ONLY: cpu_log, log_point
1953	USE statistics, &
1954	ONLY: weight_pres
1955	USE control_parameters, &
1956	ONLY: dt_3d, intermediate_timestep_count, time_since_reference_point
1957
1958	IMPLICIT NONE
1959	INTEGER,INTENT(IN) :: i
1960	INTEGER,INTENT(IN) :: j
1961
1962	!-- local variables
1963	INTEGER(iwp) :: lsp !< running index for chem spcs.
1964	INTEGER(iwp) :: lph !< running index for photolysis frequencies
1965	INTEGER :: k
1966	INTEGER :: m
1967	INTEGER :: istatf
1968	INTEGER, DIMENSION(20) :: istatus
1969	REAL(kind=wp), DIMENSION(nzb+1:nzt,nspec) :: tmp_conc
1970	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_temp
1971	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_qvap
1972	REAL(kind=wp), DIMENSION(nzb+1:nzt,nphot) :: tmp_phot
1973	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_fact
1974	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_fact_i !< conversion factor between
1975	!< molecules cm^{-3} and ppm
1976
1977	INTEGER,DIMENSION(nzb+1:nzt) :: nacc !< Number of accepted steps
1978	INTEGER,DIMENSION(nzb+1:nzt) :: nrej !< Number of rejected steps
1979
1980	REAL(wp) :: conv !< conversion factor
1981	REAL(wp), PARAMETER :: ppm2fr = 1.0e-6_wp !< Conversion factor ppm to fraction
1982	REAL(wp), PARAMETER :: fr2ppm = 1.0e6_wp !< Conversion factor fraction to ppm
1983	! REAL(wp), PARAMETER :: xm_air = 28.96_wp !< Mole mass of dry air
1984	! REAL(wp), PARAMETER :: xm_h2o = 18.01528_wp !< Mole mass of water vapor
1985	REAL(wp), PARAMETER :: pref_i = 1._wp / 100000.0_wp !< inverse reference pressure (1/Pa)
1986	REAL(wp), PARAMETER :: t_std = 273.15_wp !< standard pressure (Pa)
1987	REAL(wp), PARAMETER :: p_std = 101325.0_wp !< standard pressure (Pa)
1988	REAL(wp), PARAMETER :: vmolcm = 22.414e3_wp !< Mole volume (22.414 l) in cm^3
1989	REAL(wp), PARAMETER :: xna = 6.022e23_wp !< Avogadro number (molecules/mol)
1990
1991	REAL(wp),DIMENSION(size(rcntrl)) :: rcntrl_local
1992
1993
1994	REAL(kind=wp) :: dt_chem
1995
1996	CALL cpu_log( log_point(80), '[chem_integrate_ij]', 'start' )
1997	!< set chem_gasphase_on to .FALSE. if you want to skip computation of gas phase chemistry
1998	IF (chem_gasphase_on) THEN
1999	nacc = 0
2000	nrej = 0
2001
2002	tmp_temp(:) = pt(nzb+1:nzt,j,i) * exner(nzb+1:nzt)
2003	!
2004	!-- ppm to molecules/cm**3
2005	!-- tmp_fact = 1.e-6_wp6.022e23_wp/(22.414_wp1000._wp) * 273.15_wp * hyp(nzb+1:nzt)/( 101300.0_wp * tmp_temp )
2006	conv = ppm2fr * xna / vmolcm
2007	tmp_fact(:) = conv * t_std * hyp(nzb+1:nzt) / (tmp_temp(:) * p_std)
2008	tmp_fact_i = 1.0_wp/tmp_fact
2009
2010	IF ( humidity ) THEN
2011	IF ( bulk_cloud_model ) THEN
2012	tmp_qvap(:) = ( q(nzb+1:nzt,j,i) - ql(nzb+1:nzt,j,i) ) * &
2013	xm_air/xm_h2o * fr2ppm * tmp_fact(:)
2014	ELSE
2015	tmp_qvap(:) = q(nzb+1:nzt,j,i) * xm_air/xm_h2o * fr2ppm * tmp_fact(:)
2016	ENDIF
2017	ELSE
2018	tmp_qvap(:) = 0.01 * xm_air/xm_h2o * fr2ppm * tmp_fact(:) !< Constant value for q if water vapor is not computed
2019	ENDIF
2020
2021	DO lsp = 1,nspec
2022	tmp_conc(:,lsp) = chem_species(lsp)%conc(nzb+1:nzt,j,i) * tmp_fact(:)
2023	ENDDO
2024
2025	DO lph = 1,nphot
2026	tmp_phot(:,lph) = phot_frequen(lph)%freq(nzb+1:nzt,j,i)
2027	ENDDO
2028	!
2029	!-- todo: remove (kanani)
2030	! IF(myid == 0 .AND. chem_debug0 ) THEN
2031	! IF (i == 10 .AND. j == 10) WRITE(0,*) 'begin chemics step ',dt_3d
2032	! ENDIF
2033
2034	!-- Compute length of time step
2035	IF ( call_chem_at_all_substeps ) THEN
2036	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
2037	ELSE
2038	dt_chem = dt_3d
2039	ENDIF
2040
2041	cs_time_step = dt_chem
2042
2043	CALL cpu_log( log_point(81), '{chem_gasphase_integrate}', 'start' )
2044
2045	IF(maxval(rcntrl) > 0.0) THEN ! Only if rcntrl is set
2046	IF( time_since_reference_point <= 2*dt_3d) THEN
2047	rcntrl_local = 0
2048	ELSE
2049	rcntrl_local = rcntrl
2050	ENDIF
2051	ELSE
2052	rcntrl_local = 0
2053	END IF
2054
2055	CALL chem_gasphase_integrate ( dt_chem, tmp_conc, tmp_temp, tmp_qvap, tmp_fact, tmp_phot, &
2056	icntrl_i = icntrl, rcntrl_i = rcntrl_local, xnacc = nacc, xnrej = nrej, istatus=istatus )
2057
2058	CALL cpu_log( log_point(81), '{chem_gasphase_integrate}', 'stop' )
2059
2060	DO lsp = 1,nspec
2061	chem_species(lsp)%conc (nzb+1:nzt,j,i) = tmp_conc(:,lsp) * tmp_fact_i(:)
2062	ENDDO
2063
2064
2065	ENDIF
2066	CALL cpu_log( log_point(80), '[chem_integrate_ij]', 'stop' )
2067
2068	RETURN
2069	END SUBROUTINE chem_integrate_ij
2070	!
2071	!------------------------------------------------------------------------------!
2072	!
2073	! Description:
2074	! ------------
2075	!> Subroutine defining parin for &chemistry_parameters for chemistry model
2076	!------------------------------------------------------------------------------!
2077	SUBROUTINE chem_parin
2078
2079	USE chem_modules
2080	USE control_parameters
2081
2082	USE kinds
2083	USE pegrid
2084	USE statistics
2085
2086	IMPLICIT NONE
2087
2088	CHARACTER (LEN=80) :: line !< dummy string that contains the current line of the parameter file
2089	CHARACTER (LEN=3) :: cs_prefix
2090
2091	REAL(wp), DIMENSION(nmaxfixsteps) :: my_steps !< List of fixed timesteps my_step(1) = 0.0 automatic stepping
2092	INTEGER(iwp) :: i !<
2093	INTEGER(iwp) :: j !<
2094	INTEGER(iwp) :: max_pr_cs_tmp !<
2095
2096
2097	NAMELIST /chemistry_parameters/ bc_cs_b, &
2098	bc_cs_t, &
2099	call_chem_at_all_substeps, &
2100	chem_debug0, &
2101	chem_debug1, &
2102	chem_debug2, &
2103	chem_gasphase_on, &
2104	chem_mechanism, &
2105	cs_heights, &
2106	cs_name, &
2107	cs_profile, &
2108	cs_surface, &
2109	decycle_chem_lr, &
2110	decycle_chem_ns, &
2111	decycle_method, &
2112	do_depo, &
2113	emiss_factor_main, &
2114	emiss_factor_side, &
2115	icntrl, &
2116	main_street_id, &
2117	max_street_id, &
2118	my_steps, &
2119	nest_chemistry, &
2120	rcntrl, &
2121	side_street_id, &
2122	photolysis_scheme, &
2123	wall_csflux, &
2124	cs_vertical_gradient, &
2125	top_csflux, &
2126	surface_csflux, &
2127	surface_csflux_name, &
2128	cs_surface_initial_change, &
2129	cs_vertical_gradient_level, &
2130	! namelist parameters for emissions
2131	mode_emis, &
2132	time_fac_type, &
2133	daytype_mdh, &
2134	do_emis
2135
2136	!-- analogue to chem_names(nspj) we could invent chem_surfaceflux(nspj) and chem_topflux(nspj)
2137	!-- so this way we could prescribe a specific flux value for each species
2138	!> chemistry_parameters for initial profiles
2139	!> cs_names = 'O3', 'NO2', 'NO', ... to set initial profiles)
2140	!> cs_heights(1,:) = 0.0, 100.0, 500.0, 2000.0, .... (height levels where concs will be prescribed for O3)
2141	!> cs_heights(2,:) = 0.0, 200.0, 400.0, 1000.0, .... (same for NO2 etc.)
2142	!> cs_profiles(1,:) = 10.0, 20.0, 20.0, 30.0, ..... (chem spcs conc at height lvls chem_heights(1,:)) etc.
2143	!> If the respective concentration profile should be constant with height, then use "cs_surface( number of spcs)"
2144	!> then write these cs_surface values to chem_species(lsp)%conc_pr_init(:)
2145
2146	!
2147	!-- Read chem namelist
2148
2149	INTEGER :: ier
2150	CHARACTER(LEN=64) :: text
2151	CHARACTER(LEN=8) :: solver_type
2152
2153	icntrl = 0
2154	rcntrl = 0.0_wp
2155	my_steps = 0.0_wp
2156	photolysis_scheme = 'simple'
2157	atol = 1.0_wp
2158	rtol = 0.01_wp
2159	!
2160	!-- Try to find chemistry package
2161	REWIND ( 11 )
2162	line = ' '
2163	DO WHILE ( INDEX( line, '&chemistry_parameters' ) == 0 )
2164	READ ( 11, '(A)', END=20 ) line
2165	ENDDO
2166	BACKSPACE ( 11 )
2167	!
2168	!-- Read chemistry namelist
2169	READ ( 11, chemistry_parameters, ERR = 10, END = 20 )
2170	!
2171	!-- Enable chemistry model
2172	air_chemistry = .TRUE.
2173	GOTO 20
2174
2175	10 BACKSPACE( 11 )
2176	READ( 11 , '(A)') line
2177	CALL parin_fail_message( 'chemistry_parameters', line )
2178
2179	20 CONTINUE
2180
2181	!
2182	!-- check for emission mode for chem species
2183	IF ( (mode_emis /= 'PARAMETERIZED') .AND. ( mode_emis /= 'DEFAULT' ) .AND. ( mode_emis /= 'PRE-PROCESSED' ) ) THEN
2184	message_string = 'Incorrect mode_emiss option select. Please check spelling'
2185	CALL message( 'chem_check_parameters', 'CM0436', 1, 2, 0, 6, 0 )
2186	ENDIF
2187
2188	t_steps = my_steps
2189
2190	!-- Determine the number of user-defined profiles and append them to the
2191	!-- standard data output (data_output_pr)
2192	max_pr_cs_tmp = 0
2193	i = 1
2194
2195	DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 )
2196	IF ( TRIM( data_output_pr(i)(1:3)) == 'kc_' ) THEN
2197	max_pr_cs_tmp = max_pr_cs_tmp+1
2198	ENDIF
2199	i = i +1
2200	ENDDO
2201
2202	IF ( max_pr_cs_tmp > 0 ) THEN
2203	cs_pr_namelist_found = .TRUE.
2204	max_pr_cs = max_pr_cs_tmp
2205	ENDIF
2206
2207	! Set Solver Type
2208	IF(icntrl(3) == 0) THEN
2209	solver_type = 'rodas3' !Default
2210	ELSE IF(icntrl(3) == 1) THEN
2211	solver_type = 'ros2'
2212	ELSE IF(icntrl(3) == 2) THEN
2213	solver_type = 'ros3'
2214	ELSE IF(icntrl(3) == 3) THEN
2215	solver_type = 'ro4'
2216	ELSE IF(icntrl(3) == 4) THEN
2217	solver_type = 'rodas3'
2218	ELSE IF(icntrl(3) == 5) THEN
2219	solver_type = 'rodas4'
2220	ELSE IF(icntrl(3) == 6) THEN
2221	solver_type = 'Rang3'
2222	ELSE
2223	message_string = 'illegal solver type'
2224	CALL message( 'chem_parin', 'PA0506', 1, 2, 0, 6, 0 )
2225	END IF
2226
2227	!
2228	!-- todo: remove or replace by "CALL message" mechanism (kanani)
2229	! write(text,*) 'gas_phase chemistry: solver_type = ',TRIM(solver_type)
2230	!kk Has to be changed to right calling sequence
2231	!kk CALL location_message( TRIM(text), .FALSE. )
2232	! IF(myid == 0) THEN
2233	! write(9,*) ' '
2234	! write(9,*) 'kpp setup '
2235	! write(9,*) ' '
2236	! write(9,*) ' gas_phase chemistry: solver_type = ',TRIM(solver_type)
2237	! write(9,*) ' '
2238	! write(9,*) ' Hstart = ',rcntrl(3)
2239	! write(9,*) ' FacMin = ',rcntrl(4)
2240	! write(9,*) ' FacMax = ',rcntrl(5)
2241	! write(9,*) ' '
2242	! IF(vl_dim > 1) THEN
2243	! write(9,*) ' Vector mode vektor length = ',vl_dim
2244	! ELSE
2245	! write(9,*) ' Scalar mode'
2246	! ENDIF
2247	! write(9,*) ' '
2248	! END IF
2249
2250	RETURN
2251
2252	END SUBROUTINE chem_parin
2253
2254	!
2255	!------------------------------------------------------------------------------!
2256	!
2257	! Description:
2258	! ------------
2259	!> Subroutine calculating prognostic equations for chemical species
2260	!> (vector-optimized).
2261	!> Routine is called separately for each chemical species over a loop from
2262	!> prognostic_equations.
2263	!------------------------------------------------------------------------------!
2264	SUBROUTINE chem_prognostic_equations( cs_scalar_p, cs_scalar, tcs_scalar_m, &
2265	pr_init_cs, ilsp )
2266
2267	USE advec_s_pw_mod, &
2268	ONLY: advec_s_pw
2269	USE advec_s_up_mod, &
2270	ONLY: advec_s_up
2271	USE advec_ws, &
2272	ONLY: advec_s_ws
2273	USE diffusion_s_mod, &
2274	ONLY: diffusion_s
2275	USE indices, &
2276	ONLY: nxl, nxr, nyn, nys, wall_flags_0
2277	USE pegrid
2278	USE surface_mod, &
2279	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, &
2280	surf_usm_v
2281
2282	IMPLICIT NONE
2283
2284	INTEGER :: i !< running index
2285	INTEGER :: j !< running index
2286	INTEGER :: k !< running index
2287
2288	INTEGER(iwp),INTENT(IN) :: ilsp !<
2289
2290	REAL(wp), DIMENSION(0:nz+1) :: pr_init_cs !<
2291
2292	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar !<
2293	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar_p !<
2294	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_scalar_m !<
2295
2296
2297	!
2298	!-- Tendency terms for chemical species
2299	tend = 0.0_wp
2300	!
2301	!-- Advection terms
2302	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2303	IF ( ws_scheme_sca ) THEN
2304	CALL advec_s_ws( cs_scalar, 'kc' )
2305	ELSE
2306	CALL advec_s_pw( cs_scalar )
2307	ENDIF
2308	ELSE
2309	CALL advec_s_up( cs_scalar )
2310	ENDIF
2311	!
2312	!-- Diffusion terms (the last three arguments are zero)
2313	CALL diffusion_s( cs_scalar, &
2314	surf_def_h(0)%cssws(ilsp,:), &
2315	surf_def_h(1)%cssws(ilsp,:), &
2316	surf_def_h(2)%cssws(ilsp,:), &
2317	surf_lsm_h%cssws(ilsp,:), &
2318	surf_usm_h%cssws(ilsp,:), &
2319	surf_def_v(0)%cssws(ilsp,:), &
2320	surf_def_v(1)%cssws(ilsp,:), &
2321	surf_def_v(2)%cssws(ilsp,:), &
2322	surf_def_v(3)%cssws(ilsp,:), &
2323	surf_lsm_v(0)%cssws(ilsp,:), &
2324	surf_lsm_v(1)%cssws(ilsp,:), &
2325	surf_lsm_v(2)%cssws(ilsp,:), &
2326	surf_lsm_v(3)%cssws(ilsp,:), &
2327	surf_usm_v(0)%cssws(ilsp,:), &
2328	surf_usm_v(1)%cssws(ilsp,:), &
2329	surf_usm_v(2)%cssws(ilsp,:), &
2330	surf_usm_v(3)%cssws(ilsp,:) )
2331	!
2332	!-- Prognostic equation for chemical species
2333	DO i = nxl, nxr
2334	DO j = nys, nyn
2335	DO k = nzb+1, nzt
2336	cs_scalar_p(k,j,i) = cs_scalar(k,j,i) &
2337	+ ( dt_3d * &
2338	( tsc(2) * tend(k,j,i) &
2339	+ tsc(3) * tcs_scalar_m(k,j,i) &
2340	) &
2341	- tsc(5) * rdf_sc(k) &
2342	* ( cs_scalar(k,j,i) - pr_init_cs(k) ) &
2343	) &
2344	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2345
2346	IF ( cs_scalar_p(k,j,i) < 0.0_wp ) cs_scalar_p(k,j,i) = 0.1_wp * cs_scalar(k,j,i)
2347	ENDDO
2348	ENDDO
2349	ENDDO
2350	!
2351	!-- Calculate tendencies for the next Runge-Kutta step
2352	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2353	IF ( intermediate_timestep_count == 1 ) THEN
2354	DO i = nxl, nxr
2355	DO j = nys, nyn
2356	DO k = nzb+1, nzt
2357	tcs_scalar_m(k,j,i) = tend(k,j,i)
2358	ENDDO
2359	ENDDO
2360	ENDDO
2361	ELSEIF ( intermediate_timestep_count < &
2362	intermediate_timestep_count_max ) THEN
2363	DO i = nxl, nxr
2364	DO j = nys, nyn
2365	DO k = nzb+1, nzt
2366	tcs_scalar_m(k,j,i) = - 9.5625_wp * tend(k,j,i) &
2367	+ 5.3125_wp * tcs_scalar_m(k,j,i)
2368	ENDDO
2369	ENDDO
2370	ENDDO
2371	ENDIF
2372	ENDIF
2373
2374	END SUBROUTINE chem_prognostic_equations
2375
2376	!------------------------------------------------------------------------------!
2377	!
2378	! Description:
2379	! ------------
2380	!> Subroutine calculating prognostic equations for chemical species
2381	!> (cache-optimized).
2382	!> Routine is called separately for each chemical species over a loop from
2383	!> prognostic_equations.
2384	!------------------------------------------------------------------------------!
2385	SUBROUTINE chem_prognostic_equations_ij( cs_scalar_p, cs_scalar, tcs_scalar_m, pr_init_cs, &
2386	i, j, i_omp_start, tn, ilsp, flux_s_cs, diss_s_cs, &
2387	flux_l_cs, diss_l_cs )
2388	USE pegrid
2389	USE advec_ws, &
2390	ONLY: advec_s_ws
2391	USE advec_s_pw_mod, &
2392	ONLY: advec_s_pw
2393	USE advec_s_up_mod, &
2394	ONLY: advec_s_up
2395	USE diffusion_s_mod, &
2396	ONLY: diffusion_s
2397	USE indices, &
2398	ONLY: wall_flags_0
2399	USE surface_mod, &
2400	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2401
2402
2403	IMPLICIT NONE
2404
2405	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar_p, cs_scalar, tcs_scalar_m
2406
2407	INTEGER(iwp),INTENT(IN) :: i, j, i_omp_start, tn, ilsp
2408	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s_cs !<
2409	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s_cs !<
2410	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l_cs !<
2411	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l_cs !<
2412	REAL(wp), DIMENSION(0:nz+1) :: pr_init_cs !<
2413
2414	!
2415	!-- local variables
2416
2417	INTEGER :: k
2418	!
2419	!-- Tendency-terms for chem spcs.
2420	tend(:,j,i) = 0.0_wp
2421	!
2422	!-- Advection terms
2423	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2424	IF ( ws_scheme_sca ) THEN
2425	CALL advec_s_ws( i, j, cs_scalar, 'kc', flux_s_cs, diss_s_cs, &
2426	flux_l_cs, diss_l_cs, i_omp_start, tn )
2427	ELSE
2428	CALL advec_s_pw( i, j, cs_scalar )
2429	ENDIF
2430	ELSE
2431	CALL advec_s_up( i, j, cs_scalar )
2432	ENDIF
2433
2434	!
2435
2436	!-- Diffusion terms (the last three arguments are zero)
2437
2438	CALL diffusion_s( i, j, cs_scalar, &
2439	surf_def_h(0)%cssws(ilsp,:), surf_def_h(1)%cssws(ilsp,:), &
2440	surf_def_h(2)%cssws(ilsp,:), &
2441	surf_lsm_h%cssws(ilsp,:), surf_usm_h%cssws(ilsp,:), &
2442	surf_def_v(0)%cssws(ilsp,:), surf_def_v(1)%cssws(ilsp,:), &
2443	surf_def_v(2)%cssws(ilsp,:), surf_def_v(3)%cssws(ilsp,:), &
2444	surf_lsm_v(0)%cssws(ilsp,:), surf_lsm_v(1)%cssws(ilsp,:), &
2445	surf_lsm_v(2)%cssws(ilsp,:), surf_lsm_v(3)%cssws(ilsp,:), &
2446	surf_usm_v(0)%cssws(ilsp,:), surf_usm_v(1)%cssws(ilsp,:), &
2447	surf_usm_v(2)%cssws(ilsp,:), surf_usm_v(3)%cssws(ilsp,:) )
2448
2449	!
2450	!-- Prognostic equation for chem spcs
2451	DO k = nzb+1, nzt
2452	cs_scalar_p(k,j,i) = cs_scalar(k,j,i) + ( dt_3d * &
2453	( tsc(2) * tend(k,j,i) + &
2454	tsc(3) * tcs_scalar_m(k,j,i) ) &
2455	- tsc(5) * rdf_sc(k) &
2456	* ( cs_scalar(k,j,i) - pr_init_cs(k) ) &
2457	) &
2458	* MERGE( 1.0_wp, 0.0_wp, &
2459	BTEST( wall_flags_0(k,j,i), 0 ) &
2460	)
2461
2462	IF ( cs_scalar_p(k,j,i) < 0.0_wp ) cs_scalar_p(k,j,i) = 0.1_wp * cs_scalar(k,j,i) !FKS6
2463	ENDDO
2464
2465	!
2466	!-- Calculate tendencies for the next Runge-Kutta step
2467	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2468	IF ( intermediate_timestep_count == 1 ) THEN
2469	DO k = nzb+1, nzt
2470	tcs_scalar_m(k,j,i) = tend(k,j,i)
2471	ENDDO
2472	ELSEIF ( intermediate_timestep_count < &
2473	intermediate_timestep_count_max ) THEN
2474	DO k = nzb+1, nzt
2475	tcs_scalar_m(k,j,i) = -9.5625_wp * tend(k,j,i) + &
2476	5.3125_wp * tcs_scalar_m(k,j,i)
2477	ENDDO
2478	ENDIF
2479	ENDIF
2480
2481	END SUBROUTINE chem_prognostic_equations_ij
2482
2483	!
2484	!------------------------------------------------------------------------------!
2485	!
2486	! Description:
2487	! ------------
2488	!> Subroutine to read restart data of chemical species
2489	!------------------------------------------------------------------------------!
2490
2491	SUBROUTINE chem_rrd_local( i, k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, &
2492	nxr_on_file, nynf, nync, nyn_on_file, nysf, nysc, &
2493	nys_on_file, tmp_3d, found )
2494
2495	USE control_parameters
2496
2497	USE indices
2498
2499	USE pegrid
2500
2501	IMPLICIT NONE
2502
2503	CHARACTER (LEN=20) :: spc_name_av !<
2504
2505	INTEGER(iwp) :: i, lsp !<
2506	INTEGER(iwp) :: k !<
2507	INTEGER(iwp) :: nxlc !<
2508	INTEGER(iwp) :: nxlf !<
2509	INTEGER(iwp) :: nxl_on_file !<
2510	INTEGER(iwp) :: nxrc !<
2511	INTEGER(iwp) :: nxrf !<
2512	INTEGER(iwp) :: nxr_on_file !<
2513	INTEGER(iwp) :: nync !<
2514	INTEGER(iwp) :: nynf !<
2515	INTEGER(iwp) :: nyn_on_file !<
2516	INTEGER(iwp) :: nysc !<
2517	INTEGER(iwp) :: nysf !<
2518	INTEGER(iwp) :: nys_on_file !<
2519
2520	LOGICAL, INTENT(OUT) :: found
2521
2522	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
2523
2524
2525	found = .FALSE.
2526
2527
2528	IF ( ALLOCATED(chem_species) ) THEN
2529
2530	DO lsp = 1, nspec
2531
2532	!< for time-averaged chemical conc.
2533	spc_name_av = TRIM(chem_species(lsp)%name)//'_av'
2534
2535	IF ( restart_string(1:length) == TRIM(chem_species(lsp)%name) ) &
2536	THEN
2537	!< read data into tmp_3d
2538	IF ( k == 1 ) READ ( 13 ) tmp_3d
2539	!< fill ..%conc in the restart run
2540	chem_species(lsp)%conc(:,nysc-nbgp:nync+nbgp, &
2541	nxlc-nbgp:nxrc+nbgp) = &
2542	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2543	found = .TRUE.
2544	ELSEIF (restart_string(1:length) == spc_name_av ) THEN
2545	IF ( k == 1 ) READ ( 13 ) tmp_3d
2546	chem_species(lsp)%conc_av(:,nysc-nbgp:nync+nbgp, &
2547	nxlc-nbgp:nxrc+nbgp) = &
2548	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2549	found = .TRUE.
2550	ENDIF
2551
2552	ENDDO
2553
2554	ENDIF
2555
2556
2557	END SUBROUTINE chem_rrd_local
2558	!
2559	!-------------------------------------------------------------------------------!
2560	!> Description:
2561	!> Calculation of horizontally averaged profiles
2562	!> This routine is called for every statistic region (sr) defined by the user,
2563	!> but at least for the region "total domain" (sr=0).
2564	!> quantities.
2565	!------------------------------------------------------------------------------!
2566	SUBROUTINE chem_statistics( mode, sr, tn )
2567
2568
2569	USE arrays_3d
2570	USE indices
2571	USE kinds
2572	USE pegrid
2573	USE statistics
2574
2575	USE user
2576
2577	IMPLICIT NONE
2578
2579	CHARACTER (LEN=*) :: mode !<
2580
2581	INTEGER(iwp) :: i !< running index on x-axis
2582	INTEGER(iwp) :: j !< running index on y-axis
2583	INTEGER(iwp) :: k !< vertical index counter
2584	INTEGER(iwp) :: sr !< statistical region
2585	INTEGER(iwp) :: tn !< thread number
2586	INTEGER(iwp) :: n !<
2587	INTEGER(iwp) :: m !<
2588	INTEGER(iwp) :: lpr !< running index chem spcs
2589	LOGICAL :: ts_calc = .TRUE.
2590
2591	! REAL(wp), &
2592	! DIMENSION(dots_num_palm+1:dots_max) :: &
2593	! ts_value_l !<
2594
2595	IF ( mode == 'profiles' ) THEN
2596	!
2597	!-- Sample on how to calculate horizontally averaged profiles of user-
2598	!-- defined quantities. Each quantity is identified by the index
2599	!-- "pr_palm+#" where "#" is an integer starting from 1. These
2600	!-- user-profile-numbers must also be assigned to the respective strings
2601	!-- given by data_output_pr_cs in routine user_check_data_output_pr.
2602	!-- hom(:,:,:,:) = dim-1 = vertical level, dim-2= 1: met-species,2:zu/zw, dim-3 = quantity( e.g.
2603	! wpt), dim-4 = statistical region.
2604
2605	!$OMP DO
2606	DO i = nxl, nxr
2607	DO j = nys, nyn
2608	DO k = nzb, nzt+1
2609	DO lpr = 1, cs_pr_count
2610
2611	sums_l(k,pr_palm+max_pr_user+lpr,tn) = sums_l(k,pr_palm+max_pr_user+lpr,tn) + &
2612	chem_species(cs_pr_index(lpr))%conc(k,j,i) * &
2613	rmask(j,i,sr) * &
2614	MERGE( 1.0_wp, 0.0_wp, &
2615	BTEST( wall_flags_0(k,j,i), 22 ) )
2616	ENDDO
2617	ENDDO
2618	ENDDO
2619	ENDDO
2620	ELSEIF ( mode == 'time_series' .and. ts_calc ) THEN
2621	CALL location_message( 'Time series not calculated for chemistry', .TRUE. )
2622	ts_calc = .FALSE.
2623	ENDIF
2624
2625	END SUBROUTINE chem_statistics
2626
2627	!
2628	!------------------------------------------------------------------------------!
2629	!
2630	! Description:
2631	! ------------
2632	!> Subroutine for swapping of timelevels for chemical species
2633	!> called out from subroutine swap_timelevel
2634	!------------------------------------------------------------------------------!
2635
2636	SUBROUTINE chem_swap_timelevel( level )
2637
2638	IMPLICIT NONE
2639
2640	INTEGER(iwp), INTENT(IN) :: level
2641	!
2642	!-- local variables
2643	INTEGER(iwp) :: lsp
2644
2645
2646	IF ( level == 0 ) THEN
2647	DO lsp=1, nvar
2648	chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp)
2649	chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp)
2650	ENDDO
2651	ELSE
2652	DO lsp=1, nvar
2653	chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp)
2654	chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp)
2655	ENDDO
2656	ENDIF
2657
2658	RETURN
2659	END SUBROUTINE chem_swap_timelevel
2660	!
2661	!------------------------------------------------------------------------------!
2662	!
2663	! Description:
2664	! ------------
2665	!> Subroutine to write restart data for chemistry model
2666	!------------------------------------------------------------------------------!
2667	SUBROUTINE chem_wrd_local
2668
2669	IMPLICIT NONE
2670
2671	INTEGER(iwp) :: lsp !<
2672
2673	DO lsp = 1, nspec
2674	CALL wrd_write_string( TRIM( chem_species(lsp)%name ) )
2675	WRITE ( 14 ) chem_species(lsp)%conc
2676	CALL wrd_write_string( TRIM( chem_species(lsp)%name )//'_av' )
2677	WRITE ( 14 ) chem_species(lsp)%conc_av
2678	ENDDO
2679
2680	END SUBROUTINE chem_wrd_local
2681
2682
2683
2684	!-------------------------------------------------------------------------------!
2685	!
2686	! Description:
2687	! ------------
2688	!> Subroutine to calculate the deposition of gases and PMs. For now deposition
2689	!> only takes place on lsm and usm horizontal surfaces. Default surfaces are NOT
2690	!> considered. The deposition of particles is derived following Zhang et al.,
2691	!> 2001, gases are deposited using the DEPAC module (van Zanten et al., 2010).
2692	!>
2693	!> @TODO: Consider deposition on vertical surfaces
2694	!> @TODO: Consider overlaying horizontal surfaces
2695	!> @TODO: Consider resolved vegetation
2696	!> @TODO: Check error messages
2697	!-------------------------------------------------------------------------------!
2698
2699	SUBROUTINE chem_depo( i, j )
2700
2701	USE control_parameters, &
2702	ONLY: dt_3d, intermediate_timestep_count, latitude
2703
2704	USE arrays_3d, &
2705	ONLY: dzw, rho_air_zw
2706
2707	USE date_and_time_mod, &
2708	ONLY: day_of_year
2709
2710	USE surface_mod, &
2711	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_lsm_h, &
2712	surf_type, surf_usm_h
2713
2714	USE radiation_model_mod, &
2715	ONLY: zenith
2716
2717
2718
2719	IMPLICIT NONE
2720
2721	INTEGER(iwp), INTENT(IN) :: i
2722	INTEGER(iwp), INTENT(IN) :: j
2723
2724	INTEGER(iwp) :: k !< matching k to surface m at i,j
2725	INTEGER(iwp) :: lsp !< running index for chem spcs.
2726	INTEGER(iwp) :: lu !< running index for landuse classes
2727	INTEGER(iwp) :: lu_palm !< index of PALM LSM vegetation_type at current surface element
2728	INTEGER(iwp) :: lup_palm !< index of PALM LSM pavement_type at current surface element
2729	INTEGER(iwp) :: luw_palm !< index of PALM LSM water_type at current surface element
2730	INTEGER(iwp) :: luu_palm !< index of PALM USM walls/roofs at current surface element
2731	INTEGER(iwp) :: lug_palm !< index of PALM USM green walls/roofs at current surface element
2732	INTEGER(iwp) :: lud_palm !< index of PALM USM windows at current surface element
2733	INTEGER(iwp) :: lu_dep !< matching DEPAC LU to lu_palm
2734	INTEGER(iwp) :: lup_dep !< matching DEPAC LU to lup_palm
2735	INTEGER(iwp) :: luw_dep !< matching DEPAC LU to luw_palm
2736	INTEGER(iwp) :: luu_dep !< matching DEPAC LU to luu_palm
2737	INTEGER(iwp) :: lug_dep !< matching DEPAC LU to lug_palm
2738	INTEGER(iwp) :: lud_dep !< matching DEPAC LU to lud_palm
2739	INTEGER(iwp) :: m !< index for horizontal surfaces
2740
2741	INTEGER(iwp) :: pspec !< running index
2742	INTEGER(iwp) :: i_pspec !< index for matching depac gas component
2743
2744	!
2745	!-- Vegetation !<Match to DEPAC
2746	INTEGER(iwp) :: ind_lu_user = 0 !< --> ERROR
2747	INTEGER(iwp) :: ind_lu_b_soil = 1 !< --> ilu_desert
2748	INTEGER(iwp) :: ind_lu_mixed_crops = 2 !< --> ilu_arable
2749	INTEGER(iwp) :: ind_lu_s_grass = 3 !< --> ilu_grass
2750	INTEGER(iwp) :: ind_lu_ev_needle_trees = 4 !< --> ilu_coniferous_forest
2751	INTEGER(iwp) :: ind_lu_de_needle_trees = 5 !< --> ilu_coniferous_forest
2752	INTEGER(iwp) :: ind_lu_ev_broad_trees = 6 !< --> ilu_tropical_forest
2753	INTEGER(iwp) :: ind_lu_de_broad_trees = 7 !< --> ilu_deciduous_forest
2754	INTEGER(iwp) :: ind_lu_t_grass = 8 !< --> ilu_grass
2755	INTEGER(iwp) :: ind_lu_desert = 9 !< --> ilu_desert
2756	INTEGER(iwp) :: ind_lu_tundra = 10 !< --> ilu_other
2757	INTEGER(iwp) :: ind_lu_irr_crops = 11 !< --> ilu_arable
2758	INTEGER(iwp) :: ind_lu_semidesert = 12 !< --> ilu_other
2759	INTEGER(iwp) :: ind_lu_ice = 13 !< --> ilu_ice
2760	INTEGER(iwp) :: ind_lu_marsh = 14 !< --> ilu_other
2761	INTEGER(iwp) :: ind_lu_ev_shrubs = 15 !< --> ilu_mediterrean_scrub
2762	INTEGER(iwp) :: ind_lu_de_shrubs = 16 !< --> ilu_mediterrean_scrub
2763	INTEGER(iwp) :: ind_lu_mixed_forest = 17 !< --> ilu_coniferous_forest (ave(decid+conif))
2764	INTEGER(iwp) :: ind_lu_intrup_forest = 18 !< --> ilu_other (ave(other+decid))
2765
2766	!
2767	!-- Water
2768	INTEGER(iwp) :: ind_luw_user = 0 !< --> ERROR
2769	INTEGER(iwp) :: ind_luw_lake = 1 !< --> ilu_water_inland
2770	INTEGER(iwp) :: ind_luw_river = 2 !< --> ilu_water_inland
2771	INTEGER(iwp) :: ind_luw_ocean = 3 !< --> ilu_water_sea
2772	INTEGER(iwp) :: ind_luw_pond = 4 !< --> ilu_water_inland
2773	INTEGER(iwp) :: ind_luw_fountain = 5 !< --> ilu_water_inland
2774
2775	!
2776	!-- Pavement
2777	INTEGER(iwp) :: ind_lup_user = 0 !< --> ERROR
2778	INTEGER(iwp) :: ind_lup_asph_conc = 1 !< --> ilu_desert
2779	INTEGER(iwp) :: ind_lup_asph = 2 !< --> ilu_desert
2780	INTEGER(iwp) :: ind_lup_conc = 3 !< --> ilu_desert
2781	INTEGER(iwp) :: ind_lup_sett = 4 !< --> ilu_desert
2782	INTEGER(iwp) :: ind_lup_pav_stones = 5 !< --> ilu_desert
2783	INTEGER(iwp) :: ind_lup_cobblest = 6 !< --> ilu_desert
2784	INTEGER(iwp) :: ind_lup_metal = 7 !< --> ilu_desert
2785	INTEGER(iwp) :: ind_lup_wood = 8 !< --> ilu_desert
2786	INTEGER(iwp) :: ind_lup_gravel = 9 !< --> ilu_desert
2787	INTEGER(iwp) :: ind_lup_f_gravel = 10 !< --> ilu_desert
2788	INTEGER(iwp) :: ind_lup_pebblest = 11 !< --> ilu_desert
2789	INTEGER(iwp) :: ind_lup_woodchips = 12 !< --> ilu_desert
2790	INTEGER(iwp) :: ind_lup_tartan = 13 !< --> ilu_desert
2791	INTEGER(iwp) :: ind_lup_art_turf = 14 !< --> ilu_desert
2792	INTEGER(iwp) :: ind_lup_clay = 15 !< --> ilu_desert
2793
2794
2795	!
2796	!-- Particle parameters according to the respective aerosol classes (PM25, PM10)
2797	INTEGER(iwp) :: ind_p_size = 1 !< index for partsize in particle_pars
2798	INTEGER(iwp) :: ind_p_dens = 2 !< index for rhopart in particle_pars
2799	INTEGER(iwp) :: ind_p_slip = 3 !< index for slipcor in particle_pars
2800
2801	INTEGER(iwp) :: part_type
2802
2803	INTEGER(iwp) :: nwet !< wetness indicator dor DEPAC; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
2804
2805	REAL(wp) :: dt_chem
2806	REAL(wp) :: dh
2807	REAL(wp) :: inv_dh
2808	REAL(wp) :: dt_dh
2809
2810	REAL(wp) :: dens !< density at layer k at i,j
2811	REAL(wp) :: r_aero_lu !< aerodynamic resistance (s/m) at current surface element
2812	REAL(wp) :: ustar_lu !< ustar at current surface element
2813	REAL(wp) :: z0h_lu !< roughness length for heat at current surface element
2814	REAL(wp) :: glrad !< rad_sw_in at current surface element
2815	REAL(wp) :: ppm_to_ugm3 !< conversion factor
2816	REAL(wp) :: relh !< relative humidity at current surface element
2817	REAL(wp) :: lai !< leaf area index at current surface element
2818	REAL(wp) :: sai !< surface area index at current surface element assumed to be lai + 1
2819
2820	REAL(wp) :: slinnfac
2821	REAL(wp) :: visc !< Viscosity
2822	REAL(wp) :: vs !< Sedimentation velocity
2823	REAL(wp) :: vd_lu !< deposition velocity (m/s)
2824	REAL(wp) :: Rs !< Sedimentaion resistance (s/m)
2825	REAL(wp) :: Rb !< quasi-laminar boundary layer resistance (s/m)
2826	REAL(wp) :: Rc_tot !< total canopy resistance Rc (s/m)
2827
2828	REAL(wp) :: catm !< gasconc. at i, j, k in ug/m3
2829	REAL(wp) :: diffc !< diffusivity
2830
2831
2832	REAL(wp), DIMENSION(nspec) :: bud_now_lu !< budget for LSM vegetation type at current surface element
2833	REAL(wp), DIMENSION(nspec) :: bud_now_lup !< budget for LSM pavement type at current surface element
2834	REAL(wp), DIMENSION(nspec) :: bud_now_luw !< budget for LSM water type at current surface element
2835	REAL(wp), DIMENSION(nspec) :: bud_now_luu !< budget for USM walls/roofs at current surface element
2836	REAL(wp), DIMENSION(nspec) :: bud_now_lug !< budget for USM green surfaces at current surface element
2837	REAL(wp), DIMENSION(nspec) :: bud_now_lud !< budget for USM windows at current surface element
2838	REAL(wp), DIMENSION(nspec) :: bud_now !< overall budget at current surface element
2839	REAL(wp), DIMENSION(nspec) :: cc !< concentration i,j,k
2840	REAL(wp), DIMENSION(nspec) :: ccomp_tot !< total compensation point (ug/m3)
2841	!< For now kept to zero for all species!
2842
2843	REAL(wp) :: ttemp !< temperatur at i,j,k
2844	REAL(wp) :: ts !< surface temperatur in degrees celsius
2845	REAL(wp) :: qv_tmp !< surface mixing ratio at current surface element
2846
2847	!
2848	!-- Particle parameters (PM10 (1), PM25 (2))
2849	!-- partsize (diameter in m), rhopart (density in kg/m3), slipcor
2850	!-- (slip correction factor dimensionless, Seinfeld and Pandis 2006, Table 9.3)
2851	REAL(wp), DIMENSION(1:3,1:2), PARAMETER :: particle_pars = RESHAPE( (/ &
2852	8.0e-6_wp, 1.14e3_wp, 1.016_wp, & !< 1
2853	0.7e-6_wp, 1.14e3_wp, 1.082_wp & !< 2
2854	/), (/ 3, 2 /) )
2855
2856
2857	LOGICAL :: match_lsm !< flag indicating natural-type surface
2858	LOGICAL :: match_usm !< flag indicating urban-type surface
2859
2860
2861	!
2862	!-- List of names of possible tracers
2863	CHARACTER(len=*), PARAMETER :: pspecnames(nposp) = (/ &
2864	'NO2 ', & !< NO2
2865	'NO ', & !< NO
2866	'O3 ', & !< O3
2867	'CO ', & !< CO
2868	'form ', & !< FORM
2869	'ald ', & !< ALD
2870	'pan ', & !< PAN
2871	'mgly ', & !< MGLY
2872	'par ', & !< PAR
2873	'ole ', & !< OLE
2874	'eth ', & !< ETH
2875	'tol ', & !< TOL
2876	'cres ', & !< CRES
2877	'xyl ', & !< XYL
2878	'SO4a_f ', & !< SO4a_f
2879	'SO2 ', & !< SO2
2880	'HNO2 ', & !< HNO2
2881	'CH4 ', & !< CH4
2882	'NH3 ', & !< NH3
2883	'NO3 ', & !< NO3
2884	'OH ', & !< OH
2885	'HO2 ', & !< HO2
2886	'N2O5 ', & !< N2O5
2887	'SO4a_c ', & !< SO4a_c
2888	'NH4a_f ', & !< NH4a_f
2889	'NO3a_f ', & !< NO3a_f
2890	'NO3a_c ', & !< NO3a_c
2891	'C2O3 ', & !< C2O3
2892	'XO2 ', & !< XO2
2893	'XO2N ', & !< XO2N
2894	'cro ', & !< CRO
2895	'HNO3 ', & !< HNO3
2896	'H2O2 ', & !< H2O2
2897	'iso ', & !< ISO
2898	'ispd ', & !< ISPD
2899	'to2 ', & !< TO2
2900	'open ', & !< OPEN
2901	'terp ', & !< TERP
2902	'ec_f ', & !< EC_f
2903	'ec_c ', & !< EC_c
2904	'pom_f ', & !< POM_f
2905	'pom_c ', & !< POM_c
2906	'ppm_f ', & !< PPM_f
2907	'ppm_c ', & !< PPM_c
2908	'na_ff ', & !< Na_ff
2909	'na_f ', & !< Na_f
2910	'na_c ', & !< Na_c
2911	'na_cc ', & !< Na_cc
2912	'na_ccc ', & !< Na_ccc
2913	'dust_ff ', & !< dust_ff
2914	'dust_f ', & !< dust_f
2915	'dust_c ', & !< dust_c
2916	'dust_cc ', & !< dust_cc
2917	'dust_ccc ', & !< dust_ccc
2918	'tpm10 ', & !< tpm10
2919	'tpm25 ', & !< tpm25
2920	'tss ', & !< tss
2921	'tdust ', & !< tdust
2922	'tc ', & !< tc
2923	'tcg ', & !< tcg
2924	'tsoa ', & !< tsoa
2925	'tnmvoc ', & !< tnmvoc
2926	'SOxa ', & !< SOxa
2927	'NOya ', & !< NOya
2928	'NHxa ', & !< NHxa
2929	'NO2_obs ', & !< NO2_obs
2930	'tpm10_biascorr', & !< tpm10_biascorr
2931	'tpm25_biascorr', & !< tpm25_biascorr
2932	'O3_biascorr ' /) !< o3_biascorr
2933
2934
2935	!
2936	!-- tracer mole mass:
2937	REAL(wp), PARAMETER :: specmolm(nposp) = (/ &
2938	xm_O * 2 + xm_N, & !< NO2
2939	xm_O + xm_N, & !< NO
2940	xm_O * 3, & !< O3
2941	xm_C + xm_O, & !< CO
2942	xm_H * 2 + xm_C + xm_O, & !< FORM
2943	xm_H * 3 + xm_C * 2 + xm_O, & !< ALD
2944	xm_H * 3 + xm_C * 2 + xm_O * 5 + xm_N, & !< PAN
2945	xm_H * 4 + xm_C * 3 + xm_O * 2, & !< MGLY
2946	xm_H * 3 + xm_C, & !< PAR
2947	xm_H * 3 + xm_C * 2, & !< OLE
2948	xm_H * 4 + xm_C * 2, & !< ETH
2949	xm_H * 8 + xm_C * 7, & !< TOL
2950	xm_H * 8 + xm_C * 7 + xm_O, & !< CRES
2951	xm_H * 10 + xm_C * 8, & !< XYL
2952	xm_S + xm_O * 4, & !< SO4a_f
2953	xm_S + xm_O * 2, & !< SO2
2954	xm_H + xm_O * 2 + xm_N, & !< HNO2
2955	xm_H * 4 + xm_C, & !< CH4
2956	xm_H * 3 + xm_N, & !< NH3
2957	xm_O * 3 + xm_N, & !< NO3
2958	xm_H + xm_O, & !< OH
2959	xm_H + xm_O * 2, & !< HO2
2960	xm_O * 5 + xm_N * 2, & !< N2O5
2961	xm_S + xm_O * 4, & !< SO4a_c
2962	xm_H * 4 + xm_N, & !< NH4a_f
2963	xm_O * 3 + xm_N, & !< NO3a_f
2964	xm_O * 3 + xm_N, & !< NO3a_c
2965	xm_C * 2 + xm_O * 3, & !< C2O3
2966	xm_dummy, & !< XO2
2967	xm_dummy, & !< XO2N
2968	xm_dummy, & !< CRO
2969	xm_H + xm_O * 3 + xm_N, & !< HNO3
2970	xm_H * 2 + xm_O * 2, & !< H2O2
2971	xm_H * 8 + xm_C * 5, & !< ISO
2972	xm_dummy, & !< ISPD
2973	xm_dummy, & !< TO2
2974	xm_dummy, & !< OPEN
2975	xm_H * 16 + xm_C * 10, & !< TERP
2976	xm_dummy, & !< EC_f
2977	xm_dummy, & !< EC_c
2978	xm_dummy, & !< POM_f
2979	xm_dummy, & !< POM_c
2980	xm_dummy, & !< PPM_f
2981	xm_dummy, & !< PPM_c
2982	xm_Na, & !< Na_ff
2983	xm_Na, & !< Na_f
2984	xm_Na, & !< Na_c
2985	xm_Na, & !< Na_cc
2986	xm_Na, & !< Na_ccc
2987	xm_dummy, & !< dust_ff
2988	xm_dummy, & !< dust_f
2989	xm_dummy, & !< dust_c
2990	xm_dummy, & !< dust_cc
2991	xm_dummy, & !< dust_ccc
2992	xm_dummy, & !< tpm10
2993	xm_dummy, & !< tpm25
2994	xm_dummy, & !< tss
2995	xm_dummy, & !< tdust
2996	xm_dummy, & !< tc
2997	xm_dummy, & !< tcg
2998	xm_dummy, & !< tsoa
2999	xm_dummy, & !< tnmvoc
3000	xm_dummy, & !< SOxa
3001	xm_dummy, & !< NOya
3002	xm_dummy, & !< NHxa
3003	xm_O * 2 + xm_N, & !< NO2_obs
3004	xm_dummy, & !< tpm10_biascorr
3005	xm_dummy, & !< tpm25_biascorr
3006	xm_O * 3 /) !< o3_biascorr
3007
3008
3009	!
3010	!-- Initialize surface element m
3011	m = 0
3012	k = 0
3013	!
3014	!-- LSM or USM surface present at i,j:
3015	!-- Default surfaces are NOT considered for deposition
3016	match_lsm = surf_lsm_h%start_index(j,i) <= surf_lsm_h%end_index(j,i)
3017	match_usm = surf_usm_h%start_index(j,i) <= surf_usm_h%end_index(j,i)
3018
3019
3020	!
3021	!--For LSM surfaces
3022
3023	IF ( match_lsm ) THEN
3024
3025	!
3026	!-- Get surface element information at i,j:
3027	m = surf_lsm_h%start_index(j,i)
3028	k = surf_lsm_h%k(m)
3029
3030	!
3031	!-- Get needed variables for surface element m
3032	ustar_lu = surf_lsm_h%us(m)
3033	z0h_lu = surf_lsm_h%z0h(m)
3034	r_aero_lu = surf_lsm_h%r_a(m)
3035	glrad = surf_lsm_h%rad_sw_in(m)
3036	lai = surf_lsm_h%lai(m)
3037	sai = lai + 1
3038
3039	!
3040	!-- For small grid spacing neglect R_a
3041	IF ( dzw(k) <= 1.0 ) THEN
3042	r_aero_lu = 0.0_wp
3043	ENDIF
3044
3045	!
3046	!--Initialize lu's
3047	lu_palm = 0
3048	lu_dep = 0
3049	lup_palm = 0
3050	lup_dep = 0
3051	luw_palm = 0
3052	luw_dep = 0
3053
3054	!
3055	!--Initialize budgets
3056	bud_now_lu = 0.0_wp
3057	bud_now_lup = 0.0_wp
3058	bud_now_luw = 0.0_wp
3059
3060
3061	!
3062	!-- Get land use for i,j and assign to DEPAC lu
3063	IF ( surf_lsm_h%frac(ind_veg_wall,m) > 0 ) THEN
3064	lu_palm = surf_lsm_h%vegetation_type(m)
3065	IF ( lu_palm == ind_lu_user ) THEN
3066	message_string = 'No vegetation type defined. Please define vegetation type to enable deposition calculation'
3067	CALL message( 'chem_depo', 'CM0451', 1, 2, 0, 6, 0 )
3068	ELSEIF ( lu_palm == ind_lu_b_soil ) THEN
3069	lu_dep = 9
3070	ELSEIF ( lu_palm == ind_lu_mixed_crops ) THEN
3071	lu_dep = 2
3072	ELSEIF ( lu_palm == ind_lu_s_grass ) THEN
3073	lu_dep = 1
3074	ELSEIF ( lu_palm == ind_lu_ev_needle_trees ) THEN
3075	lu_dep = 4
3076	ELSEIF ( lu_palm == ind_lu_de_needle_trees ) THEN
3077	lu_dep = 4
3078	ELSEIF ( lu_palm == ind_lu_ev_broad_trees ) THEN
3079	lu_dep = 12
3080	ELSEIF ( lu_palm == ind_lu_de_broad_trees ) THEN
3081	lu_dep = 5
3082	ELSEIF ( lu_palm == ind_lu_t_grass ) THEN
3083	lu_dep = 1
3084	ELSEIF ( lu_palm == ind_lu_desert ) THEN
3085	lu_dep = 9
3086	ELSEIF ( lu_palm == ind_lu_tundra ) THEN
3087	lu_dep = 8
3088	ELSEIF ( lu_palm == ind_lu_irr_crops ) THEN
3089	lu_dep = 2
3090	ELSEIF ( lu_palm == ind_lu_semidesert ) THEN
3091	lu_dep = 8
3092	ELSEIF ( lu_palm == ind_lu_ice ) THEN
3093	lu_dep = 10
3094	ELSEIF ( lu_palm == ind_lu_marsh ) THEN
3095	lu_dep = 8
3096	ELSEIF ( lu_palm == ind_lu_ev_shrubs ) THEN
3097	lu_dep = 14
3098	ELSEIF ( lu_palm == ind_lu_de_shrubs ) THEN
3099	lu_dep = 14
3100	ELSEIF ( lu_palm == ind_lu_mixed_forest ) THEN
3101	lu_dep = 4
3102	ELSEIF ( lu_palm == ind_lu_intrup_forest ) THEN
3103	lu_dep = 8
3104	ENDIF
3105	ENDIF
3106
3107	IF ( surf_lsm_h%frac(ind_pav_green,m) > 0 ) THEN
3108	lup_palm = surf_lsm_h%pavement_type(m)
3109	IF ( lup_palm == ind_lup_user ) THEN
3110	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3111	CALL message( 'chem_depo', 'CM0452', 1, 2, 0, 6, 0 )
3112	ELSEIF ( lup_palm == ind_lup_asph_conc ) THEN
3113	lup_dep = 9
3114	ELSEIF ( lup_palm == ind_lup_asph ) THEN
3115	lup_dep = 9
3116	ELSEIF ( lup_palm == ind_lup_conc ) THEN
3117	lup_dep = 9
3118	ELSEIF ( lup_palm == ind_lup_sett ) THEN
3119	lup_dep = 9
3120	ELSEIF ( lup_palm == ind_lup_pav_stones ) THEN
3121	lup_dep = 9
3122	ELSEIF ( lup_palm == ind_lup_cobblest ) THEN
3123	lup_dep = 9
3124	ELSEIF ( lup_palm == ind_lup_metal ) THEN
3125	lup_dep = 9
3126	ELSEIF ( lup_palm == ind_lup_wood ) THEN
3127	lup_dep = 9
3128	ELSEIF ( lup_palm == ind_lup_gravel ) THEN
3129	lup_dep = 9
3130	ELSEIF ( lup_palm == ind_lup_f_gravel ) THEN
3131	lup_dep = 9
3132	ELSEIF ( lup_palm == ind_lup_pebblest ) THEN
3133	lup_dep = 9
3134	ELSEIF ( lup_palm == ind_lup_woodchips ) THEN
3135	lup_dep = 9
3136	ELSEIF ( lup_palm == ind_lup_tartan ) THEN
3137	lup_dep = 9
3138	ELSEIF ( lup_palm == ind_lup_art_turf ) THEN
3139	lup_dep = 9
3140	ELSEIF ( lup_palm == ind_lup_clay ) THEN
3141	lup_dep = 9
3142	ENDIF
3143	ENDIF
3144
3145	IF ( surf_lsm_h%frac(ind_wat_win,m) > 0 ) THEN
3146	luw_palm = surf_lsm_h%water_type(m)
3147	IF ( luw_palm == ind_luw_user ) THEN
3148	message_string = 'No water type defined. Please define water type to enable deposition calculation'
3149	CALL message( 'chem_depo', 'CM0453', 1, 2, 0, 6, 0 )
3150	ELSEIF ( luw_palm == ind_luw_lake ) THEN
3151	luw_dep = 13
3152	ELSEIF ( luw_palm == ind_luw_river ) THEN
3153	luw_dep = 13
3154	ELSEIF ( luw_palm == ind_luw_ocean ) THEN
3155	luw_dep = 6
3156	ELSEIF ( luw_palm == ind_luw_pond ) THEN
3157	luw_dep = 13
3158	ELSEIF ( luw_palm == ind_luw_fountain ) THEN
3159	luw_dep = 13
3160	ENDIF
3161	ENDIF
3162
3163
3164	!
3165	!-- Set wetness indicator to dry or wet for lsm vegetation or pavement
3166	IF ( surf_lsm_h%c_liq(m) > 0 ) THEN
3167	nwet = 1
3168	ELSE
3169	nwet = 0
3170	ENDIF
3171
3172	!
3173	!--Compute length of time step
3174	IF ( call_chem_at_all_substeps ) THEN
3175	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
3176	ELSE
3177	dt_chem = dt_3d
3178	ENDIF
3179
3180
3181	dh = dzw(k)
3182	inv_dh = 1.0_wp / dh
3183	dt_dh = dt_chem/dh
3184
3185	!
3186	!-- Concentration at i,j,k
3187	DO lsp = 1, nspec
3188	cc(lsp) = chem_species(lsp)%conc(k,j,i)
3189	ENDDO
3190
3191
3192	!
3193	!-- Temperature at i,j,k
3194	ttemp = pt(k,j,i) * ( hyp(k) / 100000.0_wp )**0.286_wp
3195
3196	ts = ttemp - 273.15 !< in degrees celcius
3197
3198	!
3199	!-- Viscosity of air
3200	visc = 1.496e-6 * ttemp**1.5 / (ttemp+120.0)
3201
3202	!
3203	!-- Air density at k
3204	dens = rho_air_zw(k)
3205
3206	!
3207	!-- Calculate relative humidity from specific humidity for DEPAC
3208	qv_tmp = MAX(q(k,j,i),0.0_wp)
3209	relh = relativehumidity_from_specifichumidity(qv_tmp, ttemp, hyp(k) )
3210
3211
3212
3213	!
3214	!-- Check if surface fraction (vegetation, pavement or water) > 0 and calculate vd and budget
3215	!-- for each surface fraction. Then derive overall budget taking into account the surface fractions.
3216
3217	!
3218	!-- Vegetation
3219	IF ( surf_lsm_h%frac(ind_veg_wall,m) > 0 ) THEN
3220
3221
3222	slinnfac = 1.0_wp
3223
3224	!
3225	!-- Get vd
3226	DO lsp = 1, nvar
3227	!
3228	!-- Initialize
3229	vs = 0.0_wp
3230	vd_lu = 0.0_wp
3231	Rs = 0.0_wp
3232	Rb = 0.0_wp
3233	Rc_tot = 0.0_wp
3234	IF ( spc_names(lsp) == 'PM10' ) THEN
3235	part_type = 1
3236	!
3237	!-- Sedimentation velocity
3238	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3239	particle_pars(ind_p_size, part_type), &
3240	particle_pars(ind_p_slip, part_type), &
3241	visc)
3242
3243	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3244	vs, &
3245	particle_pars(ind_p_size, part_type), &
3246	particle_pars(ind_p_slip, part_type), &
3247	nwet, ttemp, dens, visc, &
3248	lu_dep, &
3249	r_aero_lu, ustar_lu )
3250
3251	bud_now_lu(lsp) = - cc(lsp) * &
3252	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3253
3254
3255	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3256	part_type = 2
3257	!
3258	!-- Sedimentation velocity
3259	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3260	particle_pars(ind_p_size, part_type), &
3261	particle_pars(ind_p_slip, part_type), &
3262	visc)
3263
3264
3265	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3266	vs, &
3267	particle_pars(ind_p_size, part_type), &
3268	particle_pars(ind_p_slip, part_type), &
3269	nwet, ttemp, dens, visc, &
3270	lu_dep , &
3271	r_aero_lu, ustar_lu )
3272
3273	bud_now_lu(lsp) = - cc(lsp) * &
3274	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3275
3276
3277	ELSE !< GASES
3278
3279	!
3280	!-- Read spc_name of current species for gas parameter
3281
3282	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
3283	i_pspec = 0
3284	DO pspec = 1, nposp
3285	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3286	i_pspec = pspec
3287	END IF
3288	ENDDO
3289
3290	ELSE
3291	!
3292	!-- For now species not deposited
3293	CYCLE
3294	ENDIF
3295
3296	!
3297	!-- Factor used for conversion from ppb to ug/m3 :
3298	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3299	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3300	! c 1e-9 xm_tracer 1e9 / xm_air dens
3301	!-- thus:
3302	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3303	!-- Use density at k:
3304
3305	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3306
3307	!
3308	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3309	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3310	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3311
3312	!
3313	!-- Diffusivity for DEPAC relevant gases
3314	!-- Use default value
3315	diffc = 0.11e-4
3316	!
3317	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3318	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3319	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3320	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3321	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3322	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3323	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3324	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3325
3326
3327	!
3328	!-- Get quasi-laminar boundary layer resistance Rb:
3329	CALL get_rb_cell( (lu_dep == ilu_water_sea) .OR. (lu_dep == ilu_water_inland), &
3330	z0h_lu, ustar_lu, diffc, &
3331	Rb )
3332
3333	!
3334	!-- Get Rc_tot
3335	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3336	relh, lai, sai, nwet, lu_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3337	r_aero_lu , Rb )
3338
3339
3340	!
3341	!-- Calculate budget
3342	IF ( Rc_tot <= 0.0 ) THEN
3343
3344	bud_now_lu(lsp) = 0.0_wp
3345
3346	ELSE
3347
3348	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
3349
3350	bud_now_lu(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
3351	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3352	ENDIF
3353
3354	ENDIF
3355	ENDDO
3356	ENDIF
3357
3358
3359	!
3360	!-- Pavement
3361	IF ( surf_lsm_h%frac(ind_pav_green,m) > 0 ) THEN
3362
3363
3364	!
3365	!-- No vegetation on pavements:
3366	lai = 0.0_wp
3367	sai = 0.0_wp
3368
3369	slinnfac = 1.0_wp
3370
3371	!
3372	!-- Get vd
3373	DO lsp = 1, nvar
3374	!
3375	!-- Initialize
3376	vs = 0.0_wp
3377	vd_lu = 0.0_wp
3378	Rs = 0.0_wp
3379	Rb = 0.0_wp
3380	Rc_tot = 0.0_wp
3381	IF ( spc_names(lsp) == 'PM10' ) THEN
3382	part_type = 1
3383	!
3384	!-- Sedimentation velocity:
3385	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3386	particle_pars(ind_p_size, part_type), &
3387	particle_pars(ind_p_slip, part_type), &
3388	visc)
3389
3390	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3391	vs, &
3392	particle_pars(ind_p_size, part_type), &
3393	particle_pars(ind_p_slip, part_type), &
3394	nwet, ttemp, dens, visc, &
3395	lup_dep, &
3396	r_aero_lu, ustar_lu )
3397
3398	bud_now_lup(lsp) = - cc(lsp) * &
3399	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3400
3401
3402	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3403	part_type = 2
3404	!
3405	!-- Sedimentation velocity:
3406	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3407	particle_pars(ind_p_size, part_type), &
3408	particle_pars(ind_p_slip, part_type), &
3409	visc)
3410
3411
3412	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3413	vs, &
3414	particle_pars(ind_p_size, part_type), &
3415	particle_pars(ind_p_slip, part_type), &
3416	nwet, ttemp, dens, visc, &
3417	lup_dep, &
3418	r_aero_lu, ustar_lu )
3419
3420	bud_now_lup(lsp) = - cc(lsp) * &
3421	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3422
3423
3424	ELSE !<GASES
3425
3426	!
3427	!-- Read spc_name of current species for gas parameter
3428
3429	IF ( ANY(pspecnames(:) == spc_names(lsp) ) ) THEN
3430	i_pspec = 0
3431	DO pspec = 1, nposp
3432	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3433	i_pspec = pspec
3434	END IF
3435	ENDDO
3436
3437	ELSE
3438	!
3439	!-- For now species not deposited
3440	CYCLE
3441	ENDIF
3442
3443	!-- Factor used for conversion from ppb to ug/m3 :
3444	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3445	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3446	! c 1e-9 xm_tracer 1e9 / xm_air dens
3447	!-- thus:
3448	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3449	!-- Use density at lowest layer:
3450
3451	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3452
3453	!
3454	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3455	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3456	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3457
3458	!
3459	!-- Diffusivity for DEPAC relevant gases
3460	!-- Use default value
3461	diffc = 0.11e-4
3462	!
3463	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3464	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3465	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3466	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3467	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3468	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3469	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3470	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3471
3472
3473	!
3474	!-- Get quasi-laminar boundary layer resistance Rb:
3475	CALL get_rb_cell( (lup_dep == ilu_water_sea) .OR. (lup_dep == ilu_water_inland), &
3476	z0h_lu, ustar_lu, diffc, &
3477	Rb )
3478
3479
3480	!
3481	!-- Get Rc_tot
3482	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3483	relh, lai, sai, nwet, lup_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3484	r_aero_lu , Rb )
3485
3486
3487	!
3488	!-- Calculate budget
3489	IF ( Rc_tot <= 0.0 ) THEN
3490
3491	bud_now_lup(lsp) = 0.0_wp
3492
3493	ELSE
3494
3495	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
3496
3497	bud_now_lup(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
3498	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3499	ENDIF
3500
3501
3502	ENDIF
3503	ENDDO
3504	ENDIF
3505
3506
3507	!
3508	!-- Water
3509	IF ( surf_lsm_h%frac(ind_wat_win,m) > 0 ) THEN
3510
3511
3512	!
3513	!-- No vegetation on water:
3514	lai = 0.0_wp
3515	sai = 0.0_wp
3516
3517	slinnfac = 1.0_wp
3518
3519	!
3520	!-- Get vd
3521	DO lsp = 1, nvar
3522	!
3523	!-- Initialize
3524	vs = 0.0_wp
3525	vd_lu = 0.0_wp
3526	Rs = 0.0_wp
3527	Rb = 0.0_wp
3528	Rc_tot = 0.0_wp
3529	IF ( spc_names(lsp) == 'PM10' ) THEN
3530	part_type = 1
3531	!
3532	!-- Sedimentation velocity:
3533	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3534	particle_pars(ind_p_size, part_type), &
3535	particle_pars(ind_p_slip, part_type), &
3536	visc)
3537
3538	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3539	vs, &
3540	particle_pars(ind_p_size, part_type), &
3541	particle_pars(ind_p_slip, part_type), &
3542	nwet, ttemp, dens, visc, &
3543	luw_dep, &
3544	r_aero_lu, ustar_lu )
3545
3546	bud_now_luw(lsp) = - cc(lsp) * &
3547	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3548
3549
3550	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3551	part_type = 2
3552	!
3553	!-- Sedimentation velocity:
3554	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3555	particle_pars(ind_p_size, part_type), &
3556	particle_pars(ind_p_slip, part_type), &
3557	visc)
3558
3559
3560	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3561	vs, &
3562	particle_pars(ind_p_size, part_type), &
3563	particle_pars(ind_p_slip, part_type), &
3564	nwet, ttemp, dens, visc, &
3565	luw_dep, &
3566	r_aero_lu, ustar_lu )
3567
3568	bud_now_luw(lsp) = - cc(lsp) * &
3569	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3570
3571
3572	ELSE !<GASES
3573
3574	!
3575	!-- Read spc_name of current species for gas PARAMETER
3576
3577	IF ( ANY(pspecnames(:) == spc_names(lsp) ) ) THEN
3578	i_pspec = 0
3579	DO pspec = 1, nposp
3580	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3581	i_pspec = pspec
3582	END IF
3583	ENDDO
3584
3585	ELSE
3586	!
3587	!-- For now species not deposited
3588	CYCLE
3589	ENDIF
3590
3591	!-- Factor used for conversion from ppb to ug/m3 :
3592	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3593	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3594	! c 1e-9 xm_tracer 1e9 / xm_air dens
3595	!-- thus:
3596	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3597	!-- Use density at lowest layer:
3598
3599	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3600
3601	!
3602	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3603	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3604	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3605
3606	!
3607	!-- Diffusivity for DEPAC relevant gases
3608	!-- Use default value
3609	diffc = 0.11e-4
3610	!
3611	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3612	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3613	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3614	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3615	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3616	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3617	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3618	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3619
3620
3621	!
3622	!-- Get quasi-laminar boundary layer resistance Rb:
3623	CALL get_rb_cell( (luw_dep == ilu_water_sea) .OR. (luw_dep == ilu_water_inland), &
3624	z0h_lu, ustar_lu, diffc, &
3625	Rb )
3626
3627	!
3628	!-- Get Rc_tot
3629	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3630	relh, lai, sai, nwet, luw_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3631	r_aero_lu , Rb )
3632
3633
3634	! Calculate budget
3635	IF ( Rc_tot <= 0.0 ) THEN
3636
3637	bud_now_luw(lsp) = 0.0_wp
3638
3639	ELSE
3640
3641	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
3642
3643	bud_now_luw(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
3644	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3645	ENDIF
3646
3647	ENDIF
3648	ENDDO
3649	ENDIF
3650
3651
3652	bud_now = 0.0_wp
3653	!
3654	!-- Calculate overall budget for surface m and adapt concentration
3655	DO lsp = 1, nspec
3656
3657
3658	bud_now(lsp) = surf_lsm_h%frac(ind_veg_wall,m) * bud_now_lu(lsp) + &
3659	surf_lsm_h%frac(ind_pav_green,m) * bud_now_lup(lsp) + &
3660	surf_lsm_h%frac(ind_wat_win,m) * bud_now_luw(lsp)
3661
3662	!
3663	!-- Compute new concentration:
3664	cc(lsp) = cc(lsp) + bud_now(lsp) * inv_dh
3665
3666	chem_species(lsp)%conc(k,j,i) = MAX(0.0_wp, cc(lsp))
3667
3668	ENDDO
3669
3670	ENDIF
3671
3672
3673
3674
3675	!
3676	!-- For USM surfaces
3677
3678	IF ( match_usm ) THEN
3679
3680	!
3681	!-- Get surface element information at i,j:
3682	m = surf_usm_h%start_index(j,i)
3683	k = surf_usm_h%k(m)
3684
3685	!
3686	!-- Get needed variables for surface element m
3687	ustar_lu = surf_usm_h%us(m)
3688	z0h_lu = surf_usm_h%z0h(m)
3689	r_aero_lu = surf_usm_h%r_a(m)
3690	glrad = surf_usm_h%rad_sw_in(m)
3691	lai = surf_usm_h%lai(m)
3692	sai = lai + 1
3693
3694	!
3695	!-- For small grid spacing neglect R_a
3696	IF ( dzw(k) <= 1.0 ) THEN
3697	r_aero_lu = 0.0_wp
3698	ENDIF
3699
3700	!
3701	!-- Initialize lu's
3702	luu_palm = 0
3703	luu_dep = 0
3704	lug_palm = 0
3705	lug_dep = 0
3706	lud_palm = 0
3707	lud_dep = 0
3708
3709	!
3710	!-- Initialize budgets
3711	bud_now_luu = 0.0_wp
3712	bud_now_lug = 0.0_wp
3713	bud_now_lud = 0.0_wp
3714
3715
3716	!
3717	!-- Get land use for i,j and assign to DEPAC lu
3718	IF ( surf_usm_h%frac(ind_pav_green,m) > 0 ) THEN
3719	!
3720	!-- For green urban surfaces (e.g. green roofs
3721	!-- assume LU short grass
3722	lug_palm = ind_lu_s_grass
3723	IF ( lug_palm == ind_lu_user ) THEN
3724	message_string = 'No vegetation type defined. Please define vegetation type to enable deposition calculation'
3725	CALL message( 'chem_depo', 'CM0454', 1, 2, 0, 6, 0 )
3726	ELSEIF ( lug_palm == ind_lu_b_soil ) THEN
3727	lug_dep = 9
3728	ELSEIF ( lug_palm == ind_lu_mixed_crops ) THEN
3729	lug_dep = 2
3730	ELSEIF ( lug_palm == ind_lu_s_grass ) THEN
3731	lug_dep = 1
3732	ELSEIF ( lug_palm == ind_lu_ev_needle_trees ) THEN
3733	lug_dep = 4
3734	ELSEIF ( lug_palm == ind_lu_de_needle_trees ) THEN
3735	lug_dep = 4
3736	ELSEIF ( lug_palm == ind_lu_ev_broad_trees ) THEN
3737	lug_dep = 12
3738	ELSEIF ( lug_palm == ind_lu_de_broad_trees ) THEN
3739	lug_dep = 5
3740	ELSEIF ( lug_palm == ind_lu_t_grass ) THEN
3741	lug_dep = 1
3742	ELSEIF ( lug_palm == ind_lu_desert ) THEN
3743	lug_dep = 9
3744	ELSEIF ( lug_palm == ind_lu_tundra ) THEN
3745	lug_dep = 8
3746	ELSEIF ( lug_palm == ind_lu_irr_crops ) THEN
3747	lug_dep = 2
3748	ELSEIF ( lug_palm == ind_lu_semidesert ) THEN
3749	lug_dep = 8
3750	ELSEIF ( lug_palm == ind_lu_ice ) THEN
3751	lug_dep = 10
3752	ELSEIF ( lug_palm == ind_lu_marsh ) THEN
3753	lug_dep = 8
3754	ELSEIF ( lug_palm == ind_lu_ev_shrubs ) THEN
3755	lug_dep = 14
3756	ELSEIF ( lug_palm == ind_lu_de_shrubs ) THEN
3757	lug_dep = 14
3758	ELSEIF ( lug_palm == ind_lu_mixed_forest ) THEN
3759	lug_dep = 4
3760	ELSEIF ( lug_palm == ind_lu_intrup_forest ) THEN
3761	lug_dep = 8
3762	ENDIF
3763	ENDIF
3764
3765	IF ( surf_usm_h%frac(ind_veg_wall,m) > 0 ) THEN
3766	!
3767	!-- For walls in USM assume concrete walls/roofs,
3768	!-- assumed LU class desert as also assumed for
3769	!-- pavements in LSM
3770	luu_palm = ind_lup_conc
3771	IF ( luu_palm == ind_lup_user ) THEN
3772	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3773	CALL message( 'chem_depo', 'CM0455', 1, 2, 0, 6, 0 )
3774	ELSEIF ( luu_palm == ind_lup_asph_conc ) THEN
3775	luu_dep = 9
3776	ELSEIF ( luu_palm == ind_lup_asph ) THEN
3777	luu_dep = 9
3778	ELSEIF ( luu_palm == ind_lup_conc ) THEN
3779	luu_dep = 9
3780	ELSEIF ( luu_palm == ind_lup_sett ) THEN
3781	luu_dep = 9
3782	ELSEIF ( luu_palm == ind_lup_pav_stones ) THEN
3783	luu_dep = 9
3784	ELSEIF ( luu_palm == ind_lup_cobblest ) THEN
3785	luu_dep = 9
3786	ELSEIF ( luu_palm == ind_lup_metal ) THEN
3787	luu_dep = 9
3788	ELSEIF ( luu_palm == ind_lup_wood ) THEN
3789	luu_dep = 9
3790	ELSEIF ( luu_palm == ind_lup_gravel ) THEN
3791	luu_dep = 9
3792	ELSEIF ( luu_palm == ind_lup_f_gravel ) THEN
3793	luu_dep = 9
3794	ELSEIF ( luu_palm == ind_lup_pebblest ) THEN
3795	luu_dep = 9
3796	ELSEIF ( luu_palm == ind_lup_woodchips ) THEN
3797	luu_dep = 9
3798	ELSEIF ( luu_palm == ind_lup_tartan ) THEN
3799	luu_dep = 9
3800	ELSEIF ( luu_palm == ind_lup_art_turf ) THEN
3801	luu_dep = 9
3802	ELSEIF ( luu_palm == ind_lup_clay ) THEN
3803	luu_dep = 9
3804	ENDIF
3805	ENDIF
3806
3807	IF ( surf_usm_h%frac(ind_wat_win,m) > 0 ) THEN
3808	!
3809	!-- For windows in USM assume metal as this is
3810	!-- as close as we get, assumed LU class desert
3811	!-- as also assumed for pavements in LSM
3812	lud_palm = ind_lup_metal
3813	IF ( lud_palm == ind_lup_user ) THEN
3814	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3815	CALL message( 'chem_depo', 'CM0456', 1, 2, 0, 6, 0 )
3816	ELSEIF ( lud_palm == ind_lup_asph_conc ) THEN
3817	lud_dep = 9
3818	ELSEIF ( lud_palm == ind_lup_asph ) THEN
3819	lud_dep = 9
3820	ELSEIF ( lud_palm == ind_lup_conc ) THEN
3821	lud_dep = 9
3822	ELSEIF ( lud_palm == ind_lup_sett ) THEN
3823	lud_dep = 9
3824	ELSEIF ( lud_palm == ind_lup_pav_stones ) THEN
3825	lud_dep = 9
3826	ELSEIF ( lud_palm == ind_lup_cobblest ) THEN
3827	lud_dep = 9
3828	ELSEIF ( lud_palm == ind_lup_metal ) THEN
3829	lud_dep = 9
3830	ELSEIF ( lud_palm == ind_lup_wood ) THEN
3831	lud_dep = 9
3832	ELSEIF ( lud_palm == ind_lup_gravel ) THEN
3833	lud_dep = 9
3834	ELSEIF ( lud_palm == ind_lup_f_gravel ) THEN
3835	lud_dep = 9
3836	ELSEIF ( lud_palm == ind_lup_pebblest ) THEN
3837	lud_dep = 9
3838	ELSEIF ( lud_palm == ind_lup_woodchips ) THEN
3839	lud_dep = 9
3840	ELSEIF ( lud_palm == ind_lup_tartan ) THEN
3841	lud_dep = 9
3842	ELSEIF ( lud_palm == ind_lup_art_turf ) THEN
3843	lud_dep = 9
3844	ELSEIF ( lud_palm == ind_lup_clay ) THEN
3845	lud_dep = 9
3846	ENDIF
3847	ENDIF
3848
3849
3850	!
3851	!-- @TODO: Activate these lines as soon as new ebsolver branch is merged:
3852	!-- Set wetness indicator to dry or wet for usm vegetation or pavement
3853	!IF ( surf_usm_h%c_liq(m) > 0 ) THEN
3854	! nwet = 1
3855	!ELSE
3856	nwet = 0
3857	!ENDIF
3858
3859	!
3860	!-- Compute length of time step
3861	IF ( call_chem_at_all_substeps ) THEN
3862	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
3863	ELSE
3864	dt_chem = dt_3d
3865	ENDIF
3866
3867
3868	dh = dzw(k)
3869	inv_dh = 1.0_wp / dh
3870	dt_dh = dt_chem/dh
3871
3872	!
3873	!-- Concentration at i,j,k
3874	DO lsp = 1, nspec
3875	cc(lsp) = chem_species(lsp)%conc(k,j,i)
3876	ENDDO
3877
3878	!
3879	!-- Temperature at i,j,k
3880	ttemp = pt(k,j,i) * ( hyp(k) / 100000.0_wp )**0.286_wp
3881
3882	ts = ttemp - 273.15 !< in degrees celcius
3883
3884	!
3885	!-- Viscosity of air
3886	visc = 1.496e-6 * ttemp**1.5 / (ttemp+120.0)
3887
3888	!
3889	!-- Air density at k
3890	dens = rho_air_zw(k)
3891
3892	!
3893	!-- Calculate relative humidity from specific humidity for DEPAC
3894	qv_tmp = MAX(q(k,j,i),0.0_wp)
3895	relh = relativehumidity_from_specifichumidity(qv_tmp, ttemp, hyp(nzb) )
3896
3897
3898
3899	!
3900	!-- Check if surface fraction (vegetation, pavement or water) > 0 and calculate vd and budget
3901	!-- for each surface fraction. Then derive overall budget taking into account the surface fractions.
3902
3903	!
3904	!-- Walls/roofs
3905	IF ( surf_usm_h%frac(ind_veg_wall,m) > 0 ) THEN
3906
3907
3908	!
3909	!-- No vegetation on non-green walls:
3910	lai = 0.0_wp
3911	sai = 0.0_wp
3912
3913	slinnfac = 1.0_wp
3914
3915	!
3916	!-- Get vd
3917	DO lsp = 1, nvar
3918	!
3919	!-- Initialize
3920	vs = 0.0_wp
3921	vd_lu = 0.0_wp
3922	Rs = 0.0_wp
3923	Rb = 0.0_wp
3924	Rc_tot = 0.0_wp
3925	IF (spc_names(lsp) == 'PM10' ) THEN
3926	part_type = 1
3927	!
3928	!-- Sedimentation velocity
3929	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3930	particle_pars(ind_p_size, part_type), &
3931	particle_pars(ind_p_slip, part_type), &
3932	visc)
3933
3934	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3935	vs, &
3936	particle_pars(ind_p_size, part_type), &
3937	particle_pars(ind_p_slip, part_type), &
3938	nwet, ttemp, dens, visc, &
3939	luu_dep, &
3940	r_aero_lu, ustar_lu )
3941
3942	bud_now_luu(lsp) = - cc(lsp) * &
3943	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3944
3945
3946	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3947	part_type = 2
3948	!
3949	!-- Sedimentation velocity
3950	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3951	particle_pars(ind_p_size, part_type), &
3952	particle_pars(ind_p_slip, part_type), &
3953	visc)
3954
3955
3956	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3957	vs, &
3958	particle_pars(ind_p_size, part_type), &
3959	particle_pars(ind_p_slip, part_type), &
3960	nwet, ttemp, dens, visc, &
3961	luu_dep , &
3962	r_aero_lu, ustar_lu )
3963
3964	bud_now_luu(lsp) = - cc(lsp) * &
3965	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3966
3967
3968	ELSE !< GASES
3969
3970	!
3971	!-- Read spc_name of current species for gas parameter
3972
3973	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
3974	i_pspec = 0
3975	DO pspec = 1, nposp
3976	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3977	i_pspec = pspec
3978	END IF
3979	ENDDO
3980	ELSE
3981	!
3982	!-- For now species not deposited
3983	CYCLE
3984	ENDIF
3985
3986	!
3987	!-- Factor used for conversion from ppb to ug/m3 :
3988	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3989	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3990	! c 1e-9 xm_tracer 1e9 / xm_air dens
3991	!-- thus:
3992	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3993	!-- Use density at k:
3994
3995	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3996
3997	!
3998	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3999	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4000	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
4001
4002	!
4003	!-- Diffusivity for DEPAC relevant gases
4004	!-- Use default value
4005	diffc = 0.11e-4
4006	!
4007	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4008	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
4009	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
4010	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
4011	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
4012	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
4013	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
4014	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
4015
4016
4017	!
4018	!-- Get quasi-laminar boundary layer resistance Rb:
4019	CALL get_rb_cell( (luu_dep == ilu_water_sea) .OR. (luu_dep == ilu_water_inland), &
4020	z0h_lu, ustar_lu, diffc, &
4021	Rb )
4022
4023	!
4024	!-- Get Rc_tot
4025	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
4026	relh, lai, sai, nwet, luu_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
4027	r_aero_lu , Rb )
4028
4029
4030	!
4031	!-- Calculate budget
4032	IF ( Rc_tot <= 0.0 ) THEN
4033
4034	bud_now_luu(lsp) = 0.0_wp
4035
4036	ELSE
4037
4038	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
4039
4040	bud_now_luu(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
4041	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4042	ENDIF
4043
4044	ENDIF
4045	ENDDO
4046	ENDIF
4047
4048
4049	!
4050	!-- Green usm surfaces
4051	IF ( surf_usm_h%frac(ind_pav_green,m) > 0 ) THEN
4052
4053
4054	slinnfac = 1.0_wp
4055
4056	!
4057	!-- Get vd
4058	DO lsp = 1, nvar
4059	!
4060	!-- Initialize
4061	vs = 0.0_wp
4062	vd_lu = 0.0_wp
4063	Rs = 0.0_wp
4064	Rb = 0.0_wp
4065	Rc_tot = 0.0_wp
4066	IF ( spc_names(lsp) == 'PM10' ) THEN
4067	part_type = 1
4068	! Sedimentation velocity
4069	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4070	particle_pars(ind_p_size, part_type), &
4071	particle_pars(ind_p_slip, part_type), &
4072	visc)
4073
4074	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4075	vs, &
4076	particle_pars(ind_p_size, part_type), &
4077	particle_pars(ind_p_slip, part_type), &
4078	nwet, ttemp, dens, visc, &
4079	lug_dep, &
4080	r_aero_lu, ustar_lu )
4081
4082	bud_now_lug(lsp) = - cc(lsp) * &
4083	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4084
4085
4086	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4087	part_type = 2
4088	! Sedimentation velocity
4089	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4090	particle_pars(ind_p_size, part_type), &
4091	particle_pars(ind_p_slip, part_type), &
4092	visc)
4093
4094
4095	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4096	vs, &
4097	particle_pars(ind_p_size, part_type), &
4098	particle_pars(ind_p_slip, part_type), &
4099	nwet, ttemp, dens, visc, &
4100	lug_dep, &
4101	r_aero_lu, ustar_lu )
4102
4103	bud_now_lug(lsp) = - cc(lsp) * &
4104	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4105
4106
4107	ELSE !< GASES
4108
4109	!
4110	!-- Read spc_name of current species for gas parameter
4111
4112	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4113	i_pspec = 0
4114	DO pspec = 1, nposp
4115	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4116	i_pspec = pspec
4117	END IF
4118	ENDDO
4119	ELSE
4120	!
4121	!-- For now species not deposited
4122	CYCLE
4123	ENDIF
4124
4125	!
4126	!-- Factor used for conversion from ppb to ug/m3 :
4127	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4128	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4129	! c 1e-9 xm_tracer 1e9 / xm_air dens
4130	!-- thus:
4131	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4132	!-- Use density at k:
4133
4134	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp ! (mole air)/m3
4135
4136	!
4137	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4138	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4139	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
4140
4141	!
4142	!-- Diffusivity for DEPAC relevant gases
4143	!-- Use default value
4144	diffc = 0.11e-4
4145	!
4146	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4147	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
4148	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
4149	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
4150	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
4151	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
4152	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
4153	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
4154
4155
4156	!
4157	!-- Get quasi-laminar boundary layer resistance Rb:
4158	CALL get_rb_cell( (lug_dep == ilu_water_sea) .OR. (lug_dep == ilu_water_inland), &
4159	z0h_lu, ustar_lu, diffc, &
4160	Rb )
4161
4162
4163	!
4164	!-- Get Rc_tot
4165	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
4166	relh, lai, sai, nwet, lug_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
4167	r_aero_lu , Rb )
4168
4169
4170	!
4171	!-- Calculate budget
4172	IF ( Rc_tot <= 0.0 ) THEN
4173
4174	bud_now_lug(lsp) = 0.0_wp
4175
4176	ELSE
4177
4178	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
4179
4180	bud_now_lug(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
4181	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4182	ENDIF
4183
4184
4185	ENDIF
4186	ENDDO
4187	ENDIF
4188
4189
4190	!
4191	!-- Windows
4192	IF ( surf_usm_h%frac(ind_wat_win,m) > 0 ) THEN
4193
4194
4195	!
4196	!-- No vegetation on windows:
4197	lai = 0.0_wp
4198	sai = 0.0_wp
4199
4200	slinnfac = 1.0_wp
4201
4202	!
4203	!-- Get vd
4204	DO lsp = 1, nvar
4205	!
4206	!-- Initialize
4207	vs = 0.0_wp
4208	vd_lu = 0.0_wp
4209	Rs = 0.0_wp
4210	Rb = 0.0_wp
4211	Rc_tot = 0.0_wp
4212	IF ( spc_names(lsp) == 'PM10' ) THEN
4213	part_type = 1
4214	!
4215	!-- Sedimentation velocity
4216	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4217	particle_pars(ind_p_size, part_type), &
4218	particle_pars(ind_p_slip, part_type), &
4219	visc)
4220
4221	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4222	vs, &
4223	particle_pars(ind_p_size, part_type), &
4224	particle_pars(ind_p_slip, part_type), &
4225	nwet, ttemp, dens, visc, &
4226	lud_dep, &
4227	r_aero_lu, ustar_lu )
4228
4229	bud_now_lud(lsp) = - cc(lsp) * &
4230	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4231
4232
4233	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4234	part_type = 2
4235	!
4236	!-- Sedimentation velocity
4237	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4238	particle_pars(ind_p_size, part_type), &
4239	particle_pars(ind_p_slip, part_type), &
4240	visc)
4241
4242
4243	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4244	vs, &
4245	particle_pars(ind_p_size, part_type), &
4246	particle_pars(ind_p_slip, part_type), &
4247	nwet, ttemp, dens, visc, &
4248	lud_dep, &
4249	r_aero_lu, ustar_lu )
4250
4251	bud_now_lud(lsp) = - cc(lsp) * &
4252	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4253
4254
4255	ELSE !< GASES
4256
4257	!
4258	!-- Read spc_name of current species for gas PARAMETER
4259
4260	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4261	i_pspec = 0
4262	DO pspec = 1, nposp
4263	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4264	i_pspec = pspec
4265	END IF
4266	ENDDO
4267	ELSE
4268	! For now species not deposited
4269	CYCLE
4270	ENDIF
4271
4272	!
4273	!-- Factor used for conversion from ppb to ug/m3 :
4274	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4275	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4276	! c 1e-9 xm_tracer 1e9 / xm_air dens
4277	!-- thus:
4278	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4279	!-- Use density at k:
4280
4281	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp ! (mole air)/m3
4282
4283	!
4284	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4285	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4286	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
4287
4288	!
4289	!-- Diffusivity for DEPAC relevant gases
4290	!-- Use default value
4291	diffc = 0.11e-4
4292	!
4293	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4294	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
4295	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
4296	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
4297	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
4298	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
4299	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
4300	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
4301
4302
4303	!
4304	!-- Get quasi-laminar boundary layer resistance Rb:
4305	CALL get_rb_cell( (lud_dep == ilu_water_sea) .OR. (lud_dep == ilu_water_inland), &
4306	z0h_lu, ustar_lu, diffc, &
4307	Rb )
4308
4309	!
4310	!-- Get Rc_tot
4311	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
4312	relh, lai, sai, nwet, lud_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
4313	r_aero_lu , Rb )
4314
4315
4316	!
4317	!-- Calculate budget
4318	IF ( Rc_tot <= 0.0 ) THEN
4319
4320	bud_now_lud(lsp) = 0.0_wp
4321
4322	ELSE
4323
4324	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
4325
4326	bud_now_lud(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
4327	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4328	ENDIF
4329
4330	ENDIF
4331	ENDDO
4332	ENDIF
4333
4334
4335	bud_now = 0.0_wp
4336	!
4337	!-- Calculate overall budget for surface m and adapt concentration
4338	DO lsp = 1, nspec
4339
4340
4341	bud_now(lsp) = surf_usm_h%frac(ind_veg_wall,m) * bud_now_luu(lsp) + &
4342	surf_usm_h%frac(ind_pav_green,m) * bud_now_lug(lsp) + &
4343	surf_usm_h%frac(ind_wat_win,m) * bud_now_lud(lsp)
4344
4345	!
4346	!-- Compute new concentration
4347	cc(lsp) = cc(lsp) + bud_now(lsp) * inv_dh
4348
4349	chem_species(lsp)%conc(k,j,i) = MAX( 0.0_wp, cc(lsp) )
4350
4351	ENDDO
4352
4353	ENDIF
4354
4355
4356
4357	END SUBROUTINE chem_depo
4358
4359
4360
4361	!----------------------------------------------------------------------------------
4362	!
4363	!> DEPAC:
4364	!> Code of the DEPAC routine and corresponding subroutines below from the DEPAC
4365	!> module of the LOTOS-EUROS model (Manders et al., 2017)
4366	!
4367	!> Original DEPAC routines by RIVM and TNO (2015), for Documentation see
4368	!> van Zanten et al., 2010.
4369	!---------------------------------------------------------------------------------
4370	!
4371	!----------------------------------------------------------------------------------
4372	!
4373	!> depac: compute total canopy (or surface) resistance Rc for gases
4374	!----------------------------------------------------------------------------------
4375
4376	SUBROUTINE drydepos_gas_depac( compnam, day_of_year, lat, t, ust, glrad, sinphi, &
4377	rh, lai, sai, nwet, lu, iratns, rc_tot, ccomp_tot, p, catm, diffc, &
4378	ra, rb )
4379
4380
4381	!
4382	!--Some of depac arguments are OPTIONAL:
4383	!
4384	!-- A. compute Rc_tot without compensation points (ccomp_tot will be zero):
4385	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi])
4386	!
4387	!-- B. compute Rc_tot with compensation points (used for LOTOS-EUROS):
4388	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4389	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water)
4390	!
4391	!-- C. compute effective Rc based on compensation points (used for OPS):
4392	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4393	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4394	! ra, rb, rc_eff)
4395	!-- X1. Extra (OPTIONAL) output variables:
4396	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4397	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4398	! ra, rb, rc_eff, &
4399	! gw_out, gstom_out, gsoil_eff_out, cw_out, cstom_out, csoil_out, lai_out, sai_out)
4400	!-- X2. Extra (OPTIONAL) needed for stomatal ozone flux calculation (only sunlit leaves):
4401	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4402	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4403	! ra, rb, rc_eff, &
4404	! gw_out, gstom_out, gsoil_eff_out, cw_out, cstom_out, csoil_out, lai_out, sai_out, &
4405	! calc_stom_o3flux, frac_sto_o3_lu, fac_surface_area_2_PLA)
4406
4407
4408	IMPLICIT NONE
4409
4410	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4411	!< 'HNO3','NO','NO2','O3','SO2','NH3'
4412	INTEGER(iwp), INTENT(IN) :: day_of_year !< day of year, 1 ... 365 (366)
4413	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4414	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4415	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio used for SO2:
4416	!< iratns = 1: low NH3/SO2
4417	!< iratns = 2: high NH3/SO2
4418	!< iratns = 3: very low NH3/SO2
4419	REAL(wp), INTENT(IN) :: lat !< latitude Northern hemisphere (degrees) (S. hemisphere not possible)
4420	REAL(wp), INTENT(IN) :: t !< temperature (C)
4421	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
4422	REAL(wp), INTENT(IN) :: glrad !< global radiation (W/m2)
4423	REAL(wp), INTENT(IN) :: sinphi !< sin of solar elevation angle
4424	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4425	REAL(wp), INTENT(IN) :: lai !< one-sidedleaf area index (-)
4426	REAL(wp), INTENT(IN) :: sai !< surface area index (-) (lai + branches and stems)
4427	REAL(wp), INTENT(IN) :: diffc !< diffusivity
4428	REAL(wp), INTENT(IN) :: p !< pressure (Pa)
4429	REAL(wp), INTENT(IN) :: catm !< actual atmospheric concentration (ug/m3)
4430	REAL(wp), INTENT(IN) :: ra !< aerodynamic resistance (s/m)
4431	REAL(wp), INTENT(IN) :: rb !< boundary layer resistance (s/m)
4432
4433	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
4434	REAL(wp), INTENT(OUT) :: ccomp_tot !< total compensation point (ug/m3)
4435	!< [= 0 for species that don't have a compensation
4436
4437	!
4438	!-- Local variables:
4439	!
4440	!-- Component number taken from component name, paramteres matched with include files
4441	INTEGER(iwp) :: icmp
4442
4443	!
4444	!-- Component numbers:
4445	INTEGER(iwp), PARAMETER :: icmp_o3 = 1
4446	INTEGER(iwp), PARAMETER :: icmp_so2 = 2
4447	INTEGER(iwp), PARAMETER :: icmp_no2 = 3
4448	INTEGER(iwp), PARAMETER :: icmp_no = 4
4449	INTEGER(iwp), PARAMETER :: icmp_nh3 = 5
4450	INTEGER(iwp), PARAMETER :: icmp_co = 6
4451	INTEGER(iwp), PARAMETER :: icmp_no3 = 7
4452	INTEGER(iwp), PARAMETER :: icmp_hno3 = 8
4453	INTEGER(iwp), PARAMETER :: icmp_n2o5 = 9
4454	INTEGER(iwp), PARAMETER :: icmp_h2o2 = 10
4455
4456	LOGICAL :: ready !< Rc has been set:
4457	!< = 1 -> constant Rc
4458	!< = 2 -> temperature dependent Rc
4459	!
4460	!-- Vegetation indicators:
4461	LOGICAL :: lai_present !< leaves are present for current land use type
4462	LOGICAL :: sai_present !< vegetation is present for current land use type
4463
4464	REAL(wp) :: laimax !< maximum leaf area index (-)
4465	REAL(wp) :: gw !< external leaf conductance (m/s)
4466	REAL(wp) :: gstom !< stomatal conductance (m/s)
4467	REAL(wp) :: gsoil_eff !< effective soil conductance (m/s)
4468	REAL(wp) :: gc_tot !< total canopy conductance (m/s)
4469	REAL(wp) :: cw !< external leaf surface compensation point (ug/m3)
4470	REAL(wp) :: cstom !< stomatal compensation point (ug/m3)
4471	REAL(wp) :: csoil !< soil compensation point (ug/m3)
4472
4473
4474
4475	!
4476	!-- Define component number
4477	SELECT CASE ( TRIM( compnam ) )
4478
4479	CASE ( 'O3', 'o3' )
4480	icmp = icmp_o3
4481
4482	CASE ( 'SO2', 'so2' )
4483	icmp = icmp_so2
4484
4485	CASE ( 'NO2', 'no2' )
4486	icmp = icmp_no2
4487
4488	CASE ( 'NO', 'no' )
4489	icmp = icmp_no
4490
4491	CASE ( 'NH3', 'nh3' )
4492	icmp = icmp_nh3
4493
4494	CASE ( 'CO', 'co' )
4495	icmp = icmp_co
4496
4497	CASE ( 'NO3', 'no3' )
4498	icmp = icmp_no3
4499
4500	CASE ( 'HNO3', 'hno3' )
4501	icmp = icmp_hno3
4502
4503	CASE ( 'N2O5', 'n2o5' )
4504	icmp = icmp_n2o5
4505
4506	CASE ( 'H2O2', 'h2o2' )
4507	icmp = icmp_h2o2
4508
4509	CASE default
4510	!
4511	!-- Component not part of DEPAC --> not deposited
4512	RETURN
4513
4514	END SELECT
4515
4516	!
4517	!-- Inititalize
4518	gw = 0.0_wp
4519	gstom = 0.0_wp
4520	gsoil_eff = 0.0_wp
4521	gc_tot = 0.0_wp
4522	cw = 0.0_wp
4523	cstom = 0.0_wp
4524	csoil = 0.0_wp
4525
4526
4527	!
4528	!-- Check whether vegetation is present:
4529	lai_present = ( lai > 0.0 )
4530	sai_present = ( sai > 0.0 )
4531
4532	!
4533	!-- Set Rc (i.e. rc_tot) in special cases:
4534	CALL rc_special( icmp, compnam, lu, t, nwet, rc_tot, ready, ccomp_tot )
4535
4536	!
4537	!-- If Rc is not set:
4538	IF ( .NOT. ready ) then
4539
4540	!
4541	!-- External conductance:
4542	CALL rc_gw( compnam, iratns, t, rh, nwet, sai_present, sai,gw )
4543
4544	!
4545	!-- Stomatal conductance:
4546	CALL rc_gstom( icmp, compnam, lu, lai_present, lai, glrad, sinphi, t, rh, diffc, gstom, p )
4547	!
4548	!-- Effective soil conductance:
4549	CALL rc_gsoil_eff( icmp, lu, sai, ust, nwet, t, gsoil_eff )
4550
4551	!
4552	!-- Total canopy conductance (gc_tot) and resistance Rc (rc_tot):
4553	CALL rc_rctot( gstom, gsoil_eff, gw, gc_tot, rc_tot )
4554
4555	!
4556	!-- Needed to include compensation point for NH3
4557	!-- Compensation points (always returns ccomp_tot; currently ccomp_tot != 0 only for NH3):
4558	!-- CALL rc_comp_point( compnam,lu,day_of_year,t,gw,gstom,gsoil_eff,gc_tot,&
4559	! lai_present, sai_present, &
4560	! ccomp_tot, &
4561	! catm=catm,c_ave_prev_nh3=c_ave_prev_nh3, &
4562	! c_ave_prev_so2=c_ave_prev_so2,gamma_soil_water=gamma_soil_water, &
4563	! tsea=tsea,cw=cw,cstom=cstom,csoil=csoil )
4564	!
4565	!-- Effective Rc based on compensation points:
4566	! IF ( present(rc_eff) ) then
4567	! check on required arguments:
4568	! IF ( (.not. present(catm)) .OR. (.not. present(ra)) .OR. (.not. present(rb)) ) then
4569	! stop 'output argument rc_eff requires input arguments catm, ra and rb'
4570	! END IF
4571	!-- Compute rc_eff :
4572	! CALL rc_comp_point_rc_eff(ccomp_tot,catm,ra,rb,rc_tot,rc_eff)
4573	! ENDIF
4574	ENDIF
4575
4576	END SUBROUTINE drydepos_gas_depac
4577
4578
4579
4580	!-------------------------------------------------------------------
4581	!> rc_special: compute total canopy resistance in special CASEs
4582	!-------------------------------------------------------------------
4583	SUBROUTINE rc_special( icmp, compnam, lu, t, nwet, rc_tot, ready, ccomp_tot )
4584
4585	IMPLICIT NONE
4586
4587	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4588
4589	INTEGER(iwp), INTENT(IN) :: icmp !< component index
4590	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4591	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4592
4593	REAL(wp), INTENT(IN) :: t !< temperature (C)
4594
4595	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
4596	REAL(wp), INTENT(OUT) :: ccomp_tot !< total compensation point (ug/m3)
4597
4598	LOGICAL, INTENT(OUT) :: ready !< Rc has been set
4599	!< = 1 -> constant Rc
4600	!< = 2 -> temperature dependent Rc
4601
4602	!
4603	!-- rc_tot is not yet set:
4604	ready = .FALSE.
4605
4606	!
4607	!-- Default compensation point in special CASEs = 0:
4608	ccomp_tot = 0.0_wp
4609
4610	SELECT CASE( TRIM( compnam ) )
4611	CASE( 'HNO3', 'N2O5', 'NO3', 'H2O2' )
4612	!
4613	!-- No separate resistances for HNO3; just one total canopy resistance:
4614	IF ( t < -5.0_wp .AND. nwet == 9 ) THEN
4615	!
4616	!-- T < 5 C and snow:
4617	rc_tot = 50.0_wp
4618	ELSE
4619	!
4620	!-- all other circumstances:
4621	rc_tot = 10.0_wp
4622	ENDIF
4623	ready = .TRUE.
4624
4625	CASE( 'NO', 'CO' )
4626	IF ( lu == ilu_water_sea .OR. lu == ilu_water_inland ) THEN ! water
4627	rc_tot = 2000.0_wp
4628	ready = .TRUE.
4629	ELSEIF ( nwet == 1 ) THEN !< wet
4630	rc_tot = 2000.0_wp
4631	ready = .TRUE.
4632	ENDIF
4633	CASE( 'NO2', 'O3', 'SO2', 'NH3' )
4634	!
4635	!-- snow surface:
4636	IF ( nwet == 9 ) THEN
4637	!
4638	!-- To be activated when snow is implemented
4639	!CALL rc_snow(ipar_snow(icmp),t,rc_tot)
4640	ready = .TRUE.
4641	ENDIF
4642	CASE default
4643	message_string = 'Component '// TRIM( compnam ) // ' not supported'
4644	CALL message( 'rc_special', 'CM0457', 1, 2, 0, 6, 0 )
4645	END SELECT
4646
4647	END SUBROUTINE rc_special
4648
4649
4650
4651	!-------------------------------------------------------------------
4652	!> rc_gw: compute external conductance
4653	!-------------------------------------------------------------------
4654	SUBROUTINE rc_gw( compnam, iratns, t, rh, nwet, sai_present, sai, gw )
4655
4656	IMPLICIT NONE
4657
4658	!
4659	!-- Input/output variables:
4660	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4661
4662	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4663	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio;
4664	!< iratns = 1: low NH3/SO2
4665	!< iratns = 2: high NH3/SO2
4666	!< iratns = 3: very low NH3/SO2
4667
4668	LOGICAL, INTENT(IN) :: sai_present
4669
4670	REAL(wp), INTENT(IN) :: t !< temperature (C)
4671	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4672	REAL(wp), INTENT(IN) :: sai !< one-sided leaf area index (-)
4673
4674	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4675
4676
4677	SELECT CASE( TRIM( compnam ) )
4678
4679	CASE( 'NO2' )
4680	CALL rw_constant( 2000.0_wp, sai_present, gw )
4681
4682	CASE( 'NO', 'CO' )
4683	CALL rw_constant( -9999.0_wp, sai_present, gw ) !< see Erisman et al, 1994 section 3.2.3
4684
4685	CASE( 'O3' )
4686	CALL rw_constant( 2500.0_wp, sai_present, gw )
4687
4688	CASE( 'SO2' )
4689	CALL rw_so2( t, nwet, rh, iratns, sai_present, gw )
4690
4691	CASE( 'NH3' )
4692	CALL rw_nh3_sutton( t, rh, sai_present, gw )
4693
4694	!
4695	!-- conversion from leaf resistance to canopy resistance by multiplying with sai:
4696	gw = sai * gw
4697
4698	CASE default
4699	message_string = 'Component '// TRIM(compnam) // ' not supported'
4700	CALL message( 'rc_gw', 'CM0458', 1, 2, 0, 6, 0 )
4701	END SELECT
4702
4703	END SUBROUTINE rc_gw
4704
4705
4706
4707	!-------------------------------------------------------------------
4708	!> rw_so2: compute external leaf conductance for SO2
4709	!-------------------------------------------------------------------
4710	SUBROUTINE rw_so2( t, nwet, rh, iratns, sai_present, gw )
4711
4712	IMPLICIT NONE
4713
4714	!
4715	!-- Input/output variables:
4716	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4717	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio:
4718	!< iratns = 1: low NH3/SO2
4719	!< iratns = 2: high NH3/SO2
4720	!< iratns = 3: very low NH3/SO2
4721	LOGICAL, INTENT(IN) :: sai_present
4722
4723	REAL(wp), INTENT(IN) :: t !< temperature (C)
4724	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4725
4726	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4727
4728	!
4729	!-- Local variables:
4730	REAL(wp) :: rw !< external leaf resistance (s/m)
4731
4732
4733	!
4734	!-- Check if vegetation present:
4735	IF ( sai_present ) THEN
4736
4737	IF ( nwet == 0 ) THEN
4738	!--------------------------
4739	! dry surface
4740	!--------------------------
4741	! T > -1 C
4742	IF ( t > -1.0_wp ) THEN
4743	IF ( rh < 81.3_wp ) THEN
4744	rw = 25000.0_wp * exp( -0.0693_wp * rh )
4745	ELSE
4746	rw = 0.58e12 * exp( -0.278_wp * rh ) + 10.0_wp
4747	ENDIF
4748	ELSE
4749	! -5 C < T <= -1 C
4750	IF ( t > -5.0_wp ) THEN
4751	rw = 200.0_wp
4752	ELSE
4753	! T <= -5 C
4754	rw = 500.0_wp
4755	ENDIF
4756	ENDIF
4757	ELSE
4758	!--------------------------
4759	! wet surface
4760	!--------------------------
4761	rw = 10.0_wp !see Table 5, Erisman et al, 1994 Atm. Environment, 0 is impl. as 10
4762	ENDIF
4763
4764	! very low NH3/SO2 ratio:
4765	IF ( iratns == iratns_very_low ) rw = rw + 50.0_wp
4766
4767	! Conductance:
4768	gw = 1.0_wp / rw
4769	ELSE
4770	! no vegetation:
4771	gw = 0.0_wp
4772	ENDIF
4773
4774	END SUBROUTINE rw_so2
4775
4776
4777
4778	!-------------------------------------------------------------------
4779	!> rw_nh3_sutton: compute external leaf conductance for NH3,
4780	!> following Sutton & Fowler, 1993
4781	!-------------------------------------------------------------------
4782	SUBROUTINE rw_nh3_sutton( tsurf, rh,sai_present, gw )
4783
4784	IMPLICIT NONE
4785
4786	!
4787	!-- Input/output variables:
4788	LOGICAL, INTENT(IN) :: sai_present
4789
4790	REAL(wp), INTENT(IN) :: tsurf !< surface temperature (C)
4791	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4792
4793	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4794
4795	!
4796	!-- Local variables:
4797	REAL(wp) :: rw !< external leaf resistance (s/m)
4798	REAL(wp) :: sai_grass_haarweg !< surface area index at experimental site Haarweg
4799
4800	!
4801	!-- Fix sai_grass at value valid for Haarweg data for which gamma_w parametrization is derived
4802	sai_grass_haarweg = 3.5_wp
4803
4804	!
4805	!-- Calculation rw:
4806	! 100 - rh
4807	! rw = 2.0 * exp(----------)
4808	! 12
4809
4810	IF ( sai_present ) THEN
4811
4812	! External resistance according to Sutton & Fowler, 1993
4813	rw = 2.0_wp * exp( ( 100.0_wp - rh ) / 12.0_wp )
4814	rw = sai_grass_haarweg * rw
4815
4816	! Frozen soil (from Depac v1):
4817	IF ( tsurf < 0.0_wp ) rw = 200.0_wp
4818
4819	! Conductance:
4820	gw = 1.0_wp / rw
4821	ELSE
4822	! no vegetation:
4823	gw = 0.0_wp
4824	ENDIF
4825
4826	END SUBROUTINE rw_nh3_sutton
4827
4828
4829
4830	!-------------------------------------------------------------------
4831	!> rw_constant: compute constant external leaf conductance
4832	!-------------------------------------------------------------------
4833	SUBROUTINE rw_constant( rw_val, sai_present, gw )
4834
4835	IMPLICIT NONE
4836
4837	!
4838	!-- Input/output variables:
4839	LOGICAL, INTENT(IN) :: sai_present
4840
4841	REAL(wp), INTENT(IN) :: rw_val !< constant value of Rw
4842
4843	REAL(wp), INTENT(OUT) :: gw !< wernal leaf conductance (m/s)
4844
4845	!
4846	!-- Compute conductance:
4847	IF ( sai_present .AND. .NOT.missing(rw_val) ) THEN
4848	gw = 1.0_wp / rw_val
4849	ELSE
4850	gw = 0.0_wp
4851	ENDIF
4852
4853	END SUBROUTINE rw_constant
4854
4855
4856
4857	!-------------------------------------------------------------------
4858	!> rc_gstom: compute stomatal conductance
4859	!-------------------------------------------------------------------
4860	SUBROUTINE rc_gstom( icmp, compnam, lu, lai_present, lai, glrad, sinphi, t, rh, diffc, gstom, p )
4861
4862	IMPLICIT NONE
4863
4864	!
4865	!-- input/output variables:
4866	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4867
4868	INTEGER(iwp), INTENT(IN) :: icmp !< component index
4869	INTEGER(iwp), INTENT(IN) :: lu !< land use type , lu = 1,...,nlu
4870
4871	LOGICAL, INTENT(IN) :: lai_present
4872
4873	REAL(wp), INTENT(IN) :: lai !< one-sided leaf area index
4874	REAL(wp), INTENT(IN) :: glrad !< global radiation (W/m2)
4875	REAL(wp), INTENT(IN) :: sinphi !< sin of solar elevation angle
4876	REAL(wp), INTENT(IN) :: t !< temperature (C)
4877	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4878	REAL(wp), INTENT(IN) :: diffc !< diffusion coefficient of the gas involved
4879
4880	REAL(wp), OPTIONAL,INTENT(IN) :: p !< pressure (Pa)
4881
4882	REAL(wp), INTENT(OUT) :: gstom !< stomatal conductance (m/s)
4883
4884	!
4885	!-- Local variables
4886	REAL(wp) :: vpd !< vapour pressure deficit (kPa)
4887
4888	REAL(wp), PARAMETER :: dO3 = 0.13e-4 !< diffusion coefficient of ozon (m2/s)
4889
4890
4891	SELECT CASE( TRIM(compnam) )
4892
4893	CASE( 'NO', 'CO' )
4894	!
4895	!-- For no stomatal uptake is neglected:
4896	gstom = 0.0_wp
4897
4898	CASE( 'NO2', 'O3', 'SO2', 'NH3' )
4899
4900	!
4901	!-- if vegetation present:
4902	IF ( lai_present ) THEN
4903
4904	IF ( glrad > 0.0_wp ) THEN
4905	CALL rc_get_vpd( t, rh, vpd )
4906	CALL rc_gstom_emb( lu, glrad, t, vpd, lai_present, lai, sinphi, gstom, p )
4907	gstom = gstom * diffc / dO3 !< Gstom of Emberson is derived for ozone
4908	ELSE
4909	gstom = 0.0_wp
4910	ENDIF
4911	ELSE
4912	!
4913	!--no vegetation; zero conductance (infinite resistance):
4914	gstom = 0.0_wp
4915	ENDIF
4916
4917	CASE default
4918	message_string = 'Component '// TRIM(compnam) // ' not supported'
4919	CALL message( 'rc_gstom', 'CM0459', 1, 2, 0, 6, 0 )
4920	END SELECT
4921
4922	END SUBROUTINE rc_gstom
4923
4924
4925
4926	!-------------------------------------------------------------------
4927	!> rc_gstom_emb: stomatal conductance according to Emberson
4928	!-------------------------------------------------------------------
4929	SUBROUTINE rc_gstom_emb( lu, glrad, T, vpd, lai_present, lai, sinp, Gsto, p )
4930	!
4931	!-- History
4932	!> Original code from Lotos-Euros, TNO, M. Schaap
4933	!> 2009-08, M.C. van Zanten, Rivm
4934	!> Updated and extended.
4935	!> 2009-09, Arjo Segers, TNO
4936	!> Limitted temperature influence to range to avoid
4937	!> floating point exceptions.
4938	!
4939	!> Method
4940	!
4941	!> Code based on Emberson et al, 2000, Env. Poll., 403-413
4942	!> Notation conform Unified EMEP Model Description Part 1, ch 8
4943	!
4944	!> In the calculation of f_light the modification of L. Zhang 2001, AE to the PARshade and PARsun
4945	!> parametrizations of Norman 1982 are applied
4946	!
4947	!> f_phen and f_SWP are set to 1
4948	!
4949	!> Land use types DEPAC versus Emberson (Table 5.1, EMEP model description)
4950	!> DEPAC Emberson
4951	!> 1 = grass GR = grassland
4952	!> 2 = arable land TC = temperate crops ( lai according to RC = rootcrops)
4953	!< 3 = permanent crops TC = temperate crops ( lai according to RC = rootcrops)
4954	!< 4 = coniferous forest CF = tempareate/boREAL(wp) coniferous forest
4955	!> 5 = deciduous forest DF = temperate/boREAL(wp) deciduous forest
4956	!> 6 = water W = water
4957	!> 7 = urban U = urban
4958	!> 8 = other GR = grassland
4959	!> 9 = desert DE = desert
4960
4961	IMPLICIT NONE
4962
4963	!
4964	!-- Emberson specific declarations
4965
4966	!
4967	!-- Input/output variables:
4968	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4969
4970	LOGICAL, INTENT(IN) :: lai_present
4971
4972	REAL(wp), INTENT(IN) :: glrad !< global radiation (W/m2)
4973	REAL(wp), INTENT(IN) :: t !< temperature (C)
4974	REAL(wp), INTENT(IN) :: vpd !< vapour pressure deficit (kPa)
4975
4976	REAL(wp), INTENT(IN) :: lai !< one-sided leaf area index
4977	REAL(wp), INTENT(IN) :: sinp !< sin of solar elevation angle
4978
4979	REAL(wp), OPTIONAL, INTENT(IN) :: p !< pressure (Pa)
4980
4981	REAL(wp), INTENT(OUT) :: gsto !< stomatal conductance (m/s)
4982
4983	!
4984	!-- Local variables:
4985	REAL(wp) :: f_light
4986	REAL(wp) :: f_phen
4987	REAL(wp) :: f_temp
4988	REAL(wp) :: f_vpd
4989	REAL(wp) :: f_swp
4990	REAL(wp) :: bt
4991	REAL(wp) :: f_env
4992	REAL(wp) :: pardir
4993	REAL(wp) :: pardiff
4994	REAL(wp) :: parshade
4995	REAL(wp) :: parsun
4996	REAL(wp) :: laisun
4997	REAL(wp) :: laishade
4998	REAL(wp) :: sinphi
4999	REAL(wp) :: pres
5000	REAL(wp), PARAMETER :: p_sealevel = 1.01325e05 !< Pa
5001
5002
5003	!
5004	!-- Check whether vegetation is present:
5005	IF ( lai_present ) THEN
5006
5007	! calculation of correction factors for stomatal conductance
5008	IF ( sinp <= 0.0_wp ) THEN
5009	sinphi = 0.0001_wp
5010	ELSE
5011	sinphi = sinp
5012	END IF
5013
5014	!
5015	!-- ratio between actual and sea-level pressure is used
5016	!-- to correct for height in the computation of par;
5017	!-- should not exceed sea-level pressure therefore ...
5018	IF ( present(p) ) THEN
5019	pres = min( p, p_sealevel )
5020	ELSE
5021	pres = p_sealevel
5022	ENDIF
5023
5024	!
5025	!-- direct and diffuse par, Photoactive (=visible) radiation:
5026	CALL par_dir_diff( glrad, sinphi, pres, p_sealevel, pardir, pardiff )
5027
5028	!
5029	!-- par for shaded leaves (canopy averaged):
5030	parshade = pardiff * exp( -0.5 * lai*0.7 ) + 0.07 pardir * ( 1.1 - 0.1 * lai ) * exp( -sinphi ) !< Norman,1982
5031	IF ( glrad > 200.0_wp .AND. lai > 2.5_wp ) THEN
5032	parshade = pardiff * exp( -0.5 * lai*0.8 ) + 0.07 pardir * ( 1.1 - 0.1 * lai ) * exp( -sinphi ) !< Zhang et al., 2001
5033	END IF
5034
5035	!
5036	!-- par for sunlit leaves (canopy averaged):
5037	!-- alpha -> mean angle between leaves and the sun is fixed at 60 deg -> i.e. cos alpha = 0.5
5038	parsun = pardir * 0.5/sinphi + parshade !< Norman, 1982
5039	IF ( glrad > 200.0_wp .AND. lai > 2.5_wp ) THEN
5040	parsun = pardir*0.8 0.5 / sinphi + parshade !< Zhang et al., 2001
5041	END IF
5042
5043	!
5044	!-- leaf area index for sunlit and shaded leaves:
5045	IF ( sinphi > 0 ) THEN
5046	laisun = 2 * sinphi * ( 1 - exp( -0.5 * lai / sinphi ) )
5047	laishade = lai - laisun
5048	ELSE
5049	laisun = 0
5050	laishade = lai
5051	END IF
5052
5053	f_light = ( laisun * ( 1 - exp( -1.0_wp * alpha(lu) * parsun ) ) + &
5054	laishade * ( 1 - exp( -1.0_wp * alpha(lu) * parshade ) ) ) / lai
5055
5056	f_light = MAX(f_light,f_min(lu))
5057
5058	!
5059	!-- temperature influence; only non-zero within range [tmin,tmax]:
5060	IF ( ( tmin(lu) < t ) .AND. ( t < tmax(lu) ) ) THEN
5061	bt = ( tmax(lu) - topt(lu) ) / ( topt(lu) - tmin(lu) )
5062	f_temp = ( ( t - tmin(lu) ) / ( topt(lu) - tmin(lu) ) ) * ( ( tmax(lu) - t ) / ( tmax(lu) - topt(lu) ) )**bt
5063	ELSE
5064	f_temp = 0.0_wp
5065	END IF
5066	f_temp = MAX( f_temp, f_min(lu) )
5067
5068	! vapour pressure deficit influence
5069	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) ) )
5070	f_vpd = MAX( f_vpd, f_min(lu) )
5071
5072	f_swp = 1.0_wp
5073
5074	! influence of phenology on stom. conductance
5075	! ignored for now in DEPAC since influence of f_phen on lu classes in use is negligible.
5076	! When other EMEP classes (e.g. med. broadleaf) are used f_phen might be too important to ignore
5077	f_phen = 1.0_wp
5078
5079	! evaluate total stomatal conductance
5080	f_env = f_temp * f_vpd * f_swp
5081	f_env = MAX( f_env,f_min(lu) )
5082	gsto = g_max(lu) * f_light * f_phen * f_env
5083
5084	! gstom expressed per m2 leafarea;
5085	! this is converted with lai to m2 surface.
5086	gsto = lai * gsto ! in m/s
5087
5088	ELSE
5089	gsto = 0.0_wp
5090	ENDIF
5091
5092	END SUBROUTINE rc_gstom_emb
5093
5094
5095
5096	!-------------------------------------------------------------------
5097	!> par_dir_diff
5098	!
5099	!> Weiss, A., Norman, J.M. (1985) Partitioning solar radiation into direct and
5100	!> diffuse, visible and near-infrared components. Agric. Forest Meteorol.
5101	!> 34, 205-213.
5102	!
5103	!> From a SUBROUTINE obtained from Leiming Zhang,
5104	!> Meteorological Service of Canada
5105	!
5106	!> Leiming uses solar irradiance. This should be equal to global radiation and
5107	!> Willem Asman set it to global radiation
5108	!>
5109	!> @todo Check/connect/replace with radiation_model_mod variables
5110	!-------------------------------------------------------------------
5111	SUBROUTINE par_dir_diff( glrad, sinphi, pres, pres_0, par_dir, par_diff )
5112
5113	IMPLICIT NONE
5114
5115	REAL(wp), INTENT(IN) :: glrad !< global radiation (W m-2)
5116	REAL(wp), INTENT(IN) :: sinphi !< sine of the solar elevation
5117	REAL(wp), INTENT(IN) :: pres !< actual pressure (to correct for height) (Pa)
5118	REAL(wp), INTENT(IN) :: pres_0 !< pressure at sea level (Pa)
5119
5120	REAL(wp), INTENT(OUT) :: par_dir !< par direct : visible (photoactive) direct beam radiation (W m-2)
5121	REAL(wp), INTENT(OUT) :: par_diff !< par diffuse: visible (photoactive) diffuse radiation (W m-2)
5122
5123
5124	REAL(wp) :: sv !< total visible radiation
5125	REAL(wp) :: fv !< par direct beam fraction (dimensionless)
5126	REAL(wp) :: ratio !< ratio measured to potential solar radiation (dimensionless)
5127	REAL(wp) :: rdm !< potential direct beam near-infrared radiation (W m-2); "potential" means clear-sky
5128	REAL(wp) :: rdn !< potential diffuse near-infrared radiation (W m-2)
5129	REAL(wp) :: rdu !< visible (par) direct beam radiation (W m-2)
5130	REAL(wp) :: rdv !< potential visible (par) diffuse radiation (W m-2)
5131	REAL(wp) :: rn !< near-infrared radiation (W m-2)
5132	REAL(wp) :: rv !< visible radiation (W m-2)
5133	REAL(wp) :: ww !< water absorption in the near infrared for 10 mm of precipitable water
5134
5135
5136
5137	!
5138	!-- Calculate visible (PAR) direct beam radiation
5139	!-- 600 W m-2 represents average amount of par (400-700 nm wavelength)
5140	!-- at the top of the atmosphere; this is roughly 0.45*solar constant (solar constant=1320 Wm-2)
5141	rdu = 600.0_wp* exp( -0.185_wp * ( pres / pres_0 ) / sinphi ) * sinphi
5142
5143	!
5144	!-- Calculate potential visible diffuse radiation
5145	rdv = 0.4_wp * ( 600.0_wp - rdu ) * sinphi
5146
5147	!
5148	!-- Calculate the water absorption in the-near infrared
5149	ww = 1320 * 10*( -1.195_wp + 0.4459_wp log10( 1.0_wp / sinphi ) - 0.0345_wp * ( log10( 1.0_wp / sinphi ) )**2 )
5150
5151	!
5152	!-- Calculate potential direct beam near-infrared radiation
5153	rdm = (720.0_wp * exp(-0.06_wp * (pres / pres_0) / sinphi ) - ww ) * sinphi !< 720 = solar constant - 600
5154
5155	!
5156	!-- Calculate potential diffuse near-infrared radiation
5157	rdn = 0.6_wp * ( 720 - rdm - ww ) * sinphi
5158
5159	!
5160	!-- Compute visible and near-infrared radiation
5161	rv = MAX( 0.1_wp, rdu + rdv )
5162	rn = MAX( 0.01_wp, rdm + rdn )
5163
5164	!
5165	!-- Compute ratio between input global radiation and total radiation computed here
5166	ratio = MIN( 0.89_wp, glrad / ( rv + rn ) )
5167
5168	!
5169	!-- Calculate total visible radiation
5170	sv = ratio * rv
5171
5172	!
5173	!-- Calculate fraction of par in the direct beam
5174	fv = MIN( 0.99_wp, ( 0.9_wp - ratio ) / 0.7_wp ) !< help variable
5175	fv = MAX( 0.01_wp, rdu / rv * ( 1.0_wp - fv**0.6667_wp ) ) !< fraction of par in the direct beam
5176
5177	!
5178	!-- Compute direct and diffuse parts of par
5179	par_dir = fv * sv
5180	par_diff = sv - par_dir
5181
5182	END SUBROUTINE par_dir_diff
5183
5184
5185	!-------------------------------------------------------------------
5186	!> rc_get_vpd: get vapour pressure deficit (kPa)
5187	!-------------------------------------------------------------------
5188	SUBROUTINE rc_get_vpd( temp, relh, vpd )
5189
5190	IMPLICIT NONE
5191
5192	!
5193	!-- Input/output variables:
5194	REAL(wp), INTENT(IN) :: temp !< temperature (C)
5195	REAL(wp), INTENT(IN) :: relh !< relative humidity (%)
5196
5197	REAL(wp), INTENT(OUT) :: vpd !< vapour pressure deficit (kPa)
5198
5199	!
5200	!-- Local variables:
5201	REAL(wp) :: esat
5202
5203	!
5204	!-- fit parameters:
5205	REAL(wp), PARAMETER :: a1 = 6.113718e-01
5206	REAL(wp), PARAMETER :: a2 = 4.43839e-02
5207	REAL(wp), PARAMETER :: a3 = 1.39817e-03
5208	REAL(wp), PARAMETER :: a4 = 2.9295e-05
5209	REAL(wp), PARAMETER :: a5 = 2.16e-07
5210	REAL(wp), PARAMETER :: a6 = 3.0e-09
5211
5212	!
5213	!-- esat is saturation vapour pressure (kPa) at temp(C) following Monteith(1973)
5214	esat = a1 + a2 * temp + a3 * temp*2 + a4 temp*3 + a5 temp*4 + a6 temp**5
5215	vpd = esat * ( 1 - relh / 100 )
5216
5217	END SUBROUTINE rc_get_vpd
5218
5219
5220
5221	!-------------------------------------------------------------------
5222	!> rc_gsoil_eff: compute effective soil conductance
5223	!-------------------------------------------------------------------
5224	SUBROUTINE rc_gsoil_eff( icmp, lu, sai, ust, nwet, t, gsoil_eff )
5225
5226	IMPLICIT NONE
5227
5228	!
5229	!-- Input/output variables:
5230	INTEGER(iwp), INTENT(IN) :: icmp !< component index
5231	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,..., nlu
5232	INTEGER(iwp), INTENT(IN) :: nwet !< index for wetness
5233	!< nwet = 0 -> dry; nwet = 1 -> wet; nwet = 9 -> snow
5234	!< N.B. this routine cannot be called with nwet = 9,
5235	!< nwet = 9 should be handled outside this routine.
5236
5237	REAL(wp), INTENT(IN) :: sai !< surface area index
5238	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
5239	REAL(wp), INTENT(IN) :: t !< temperature (C)
5240
5241	REAL(wp), INTENT(OUT) :: gsoil_eff !< effective soil conductance (m/s)
5242
5243	!
5244	!-- local variables:
5245	REAL(wp) :: rinc !< in canopy resistance (s/m)
5246	REAL(wp) :: rsoil_eff !< effective soil resistance (s/m)
5247
5248
5249	!
5250	!-- Soil resistance (numbers matched with lu_classes and component numbers)
5251	! grs ara crp cnf dec wat urb oth des ice sav trf wai med sem
5252	REAL(wp), PARAMETER :: rsoil(nlu_dep,ncmp) = reshape( (/ &
5253	1000., 200., 200., 200., 200., 2000., 400., 1000., 2000., 2000., 1000., 200., 2000., 200., 400., & !< O3
5254	1000., 1000., 1000., 1000., 1000., 10., 1000., 1000., 1000., 500., 1000., 1000., 10., 1000., 1000., & !< SO2
5255	1000., 1000., 1000., 1000., 1000., 2000., 1000., 1000., 1000., 2000., 1000., 1000., 2000., 1000., 1000., & !< NO2
5256	-999., -999., -999., -999., -999., 2000., 1000., -999., 2000., 2000., -999., -999., 2000., -999., -999., & !< NO
5257	100., 100., 100., 100., 100., 10., 100., 100., 100., 1000., 100., 100., 10., 100., 100., & !< NH3
5258	-999., -999., -999., -999., -999., 2000., 1000., -999., 2000., 2000., -999., -999., 2000., -999., -999., & !< CO
5259	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< NO3
5260	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< HNO3
5261	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< N2O5
5262	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999. /),& !< H2O2
5263	(/nlu_dep,ncmp/) )
5264
5265	!
5266	!-- For o3 so2 no2 no nh3 co no3 hno3 n2o5 h2o2
5267	REAL(wp), PARAMETER :: rsoil_wet(ncmp) = (/2000., 10. , 2000., -999., 10. , -999., -999., -999., -999., -999./)
5268	REAL(wp), PARAMETER :: rsoil_frozen(ncmp) = (/2000., 500., 2000., -999., 1000., -999., -999., -999., -999., -999./)
5269
5270
5271
5272	!
5273	!-- Compute in canopy (in crop) resistance:
5274	CALL rc_rinc( lu, sai, ust, rinc )
5275
5276	!
5277	!-- Check for missing deposition path:
5278	IF ( missing(rinc) ) THEN
5279	rsoil_eff = -9999.0_wp
5280	ELSE
5281	!
5282	!-- Frozen soil (temperature below 0):
5283	IF ( t < 0.0_wp ) THEN
5284	IF ( missing( rsoil_frozen( icmp ) ) ) THEN
5285	rsoil_eff = -9999.0_wp
5286	ELSE
5287	rsoil_eff = rsoil_frozen( icmp ) + rinc
5288	ENDIF
5289	ELSE
5290	!
5291	!-- Non-frozen soil; dry:
5292	IF ( nwet == 0 ) THEN
5293	IF ( missing( rsoil( lu, icmp ) ) ) THEN
5294	rsoil_eff = -9999.0_wp
5295	ELSE
5296	rsoil_eff = rsoil( lu, icmp ) + rinc
5297	ENDIF
5298
5299	!
5300	!-- Non-frozen soil; wet:
5301	ELSEIF ( nwet == 1 ) THEN
5302	IF ( missing( rsoil_wet( icmp ) ) ) THEN
5303	rsoil_eff = -9999.0_wp
5304	ELSE
5305	rsoil_eff = rsoil_wet( icmp ) + rinc
5306	ENDIF
5307	ELSE
5308	message_string = 'nwet can only be 0 or 1'
5309	CALL message( 'rc_gsoil_eff', 'CM0460', 1, 2, 0, 6, 0 )
5310	ENDIF
5311	ENDIF
5312	ENDIF
5313
5314	!
5315	!-- Compute conductance:
5316	IF ( rsoil_eff > 0.0_wp ) THEN
5317	gsoil_eff = 1.0_wp / rsoil_eff
5318	ELSE
5319	gsoil_eff = 0.0_wp
5320	ENDIF
5321
5322	END SUBROUTINE rc_gsoil_eff
5323
5324
5325	!-------------------------------------------------------------------
5326	!> rc_rinc: compute in canopy (or in crop) resistance
5327	!> van Pul and Jacobs, 1993, BLM
5328	!-------------------------------------------------------------------
5329	SUBROUTINE rc_rinc( lu, sai, ust, rinc )
5330
5331	IMPLICIT NONE
5332
5333	!
5334	!-- Input/output variables:
5335	INTEGER(iwp), INTENT(IN) :: lu !< land use class, lu = 1, ..., nlu
5336
5337	REAL(wp), INTENT(IN) :: sai !< surface area index
5338	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
5339
5340	REAL(wp), INTENT(OUT) :: rinc !< in canopy resistance (s/m)
5341
5342	!
5343	!-- b = empirical constant for computation of rinc (in canopy resistance) (= 14 m-1 or -999 if not applicable)
5344	!-- h = vegetation height (m) gra ara crop con dec wat urb oth des ice sav trf wai med semi
5345	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: b = (/ -999, 14, 14, 14, 14, -999, -999, -999, -999, -999, -999, 14, -999, &
5346	14, 14 /)
5347	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: h = (/ -999, 1, 1, 20, 20, -999, -999, -999, -999, -999, -999, 20, -999, &
5348	1 , 1 /)
5349
5350	!
5351	!-- Compute Rinc only for arable land, perm. crops, forest; otherwise Rinc = 0:
5352	IF ( b(lu) > 0.0_wp ) THEN
5353	!
5354	!-- Check for u* > 0 (otherwise denominator = 0):
5355	IF ( ust > 0.0_wp ) THEN
5356	rinc = b(lu) * h(lu) * sai/ust
5357	ELSE
5358	rinc = 1000.0_wp
5359	ENDIF
5360	ELSE
5361	IF ( lu == ilu_grass .OR. lu == ilu_other ) THEN
5362	rinc = -999.0_wp !< no deposition path for grass, other, and semi-natural
5363	ELSE
5364	rinc = 0.0_wp !< no in-canopy resistance
5365	ENDIF
5366	ENDIF
5367
5368	END SUBROUTINE rc_rinc
5369
5370
5371
5372	!-------------------------------------------------------------------
5373	!> rc_rctot: compute total canopy (or surface) resistance Rc
5374	!-------------------------------------------------------------------
5375	SUBROUTINE rc_rctot( gstom, gsoil_eff, gw, gc_tot, rc_tot )
5376
5377	IMPLICIT NONE
5378
5379	!
5380	!-- Input/output variables:
5381	REAL(wp), INTENT(IN) :: gstom !< stomatal conductance (s/m)
5382	REAL(wp), INTENT(IN) :: gsoil_eff !< effective soil conductance (s/m)
5383	REAL(wp), INTENT(IN) :: gw !< external leaf conductance (s/m)
5384
5385	REAL(wp), INTENT(OUT) :: gc_tot !< total canopy conductance (m/s)
5386	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
5387
5388	!
5389	!-- Total conductance:
5390	gc_tot = gstom + gsoil_eff + gw
5391
5392	!
5393	!-- Total resistance (note: gw can be negative, but no total emission allowed here):
5394	IF ( gc_tot <= 0.0_wp .OR. gw < 0.0_wp ) THEN
5395	rc_tot = -9999.0_wp
5396	ELSE
5397	rc_tot = 1.0_wp / gc_tot
5398	ENDIF
5399
5400	END SUBROUTINE rc_rctot
5401
5402
5403
5404	!-------------------------------------------------------------------
5405	!> rc_comp_point_rc_eff: calculate the effective resistance Rc
5406	!> based on one or more compensation points
5407	!-------------------------------------------------------------------
5408	!
5409	!> NH3rc (see depac v3.6 is based on Avero workshop Marc Sutton. p. 173.
5410	!> Sutton 1998 AE 473-480)
5411	!>
5412	!> Documentation by Ferd Sauter, 2008; see also documentation block in header of depac subroutine.
5413	!> FS 2009-01-29: variable names made consistent with DEPAC
5414	!> FS 2009-03-04: use total compensation point
5415	!>
5416	!> C: with total compensation point ! D: approximation of C
5417	!> ! with classical approach
5418	!> zr --------- Catm ! zr --------- Catm
5419	!> \| ! \|
5420	!> Ra ! Ra
5421	!> \| ! \|
5422	!> Rb ! Rb
5423	!> \| ! \|
5424	!> z0 --------- Cc ! z0 --------- Cc
5425	!> \| ! \|
5426	!> Rc ! Rc_eff
5427	!> \| ! \|
5428	!> --------- Ccomp_tot ! --------- C=0
5429	!>
5430	!>
5431	!> The effective Rc is defined such that instead of using
5432	!>
5433	!> F = -vd*[Catm - Ccomp_tot] (1)
5434	!>
5435	!> we can use the 'normal' flux formula
5436	!>
5437	!> F = -vd'*Catm, (2)
5438	!>
5439	!> with vd' = 1/(Ra + Rb + Rc') (3)
5440	!>
5441	!> and Rc' the effective Rc (rc_eff).
5442	!> (Catm - Ccomp_tot)
5443	!> vd'Catm = vd(Catm - Ccomp_tot) <=> vd' = vd* ------------------
5444	!> Catm
5445	!>
5446	!> (Catm - Ccomp_tot)
5447	!> 1/(Ra + Rb + Rc') = (1/Ra + Rb + Rc) * ------------------
5448	!> Catm
5449	!>
5450	!> Catm
5451	!> (Ra + Rb + Rc') = (Ra + Rb + Rc) * ------------------
5452	!> (Catm - Ccomp_tot)
5453	!>
5454	!> Catm
5455	!> Rc' = (Ra + Rb + Rc) * ------------------ - Ra - Rb
5456	!> (Catm - Ccomp_tot)
5457	!>
5458	!> Catm Catm
5459	!> Rc' = (Ra + Rb) [------------------ - 1 ] + Rc * ------------------
5460	!> (Catm - Ccomp_tot) (Catm - Ccomp_tot)
5461	!>
5462	!> Rc' = [(Ra + Rb)Ccomp_tot + RcCatm ] / (Catm - Ccomp_tot)
5463	!>
5464	! -------------------------------------------------------------------------------------------
5465
5466	SUBROUTINE rc_comp_point_rc_eff( ccomp_tot, catm, ra, rb, rc_tot, rc_eff )
5467
5468	IMPLICIT NONE
5469
5470	!
5471	!-- Input/output variables:
5472	REAL(wp), INTENT(IN) :: ccomp_tot !< total compensation point (weighed average of separate compensation points) (ug/m3)
5473	REAL(wp), INTENT(IN) :: catm !< atmospheric concentration (ug/m3)
5474	REAL(wp), INTENT(IN) :: ra !< aerodynamic resistance (s/m)
5475	REAL(wp), INTENT(IN) :: rb !< boundary layer resistance (s/m)
5476	REAL(wp), INTENT(IN) :: rc_tot !< total canopy resistance (s/m)
5477
5478	REAL(wp), INTENT(OUT) :: rc_eff !< effective total canopy resistance (s/m)
5479
5480	!
5481	!-- Compute effective resistance:
5482	IF ( ccomp_tot == 0.0_wp ) THEN
5483	!
5484	!-- trace with no compensiation point ( or compensation point equal to zero)
5485	rc_eff = rc_tot
5486
5487	ELSE IF ( ccomp_tot > 0.0_wp .AND. ( abs( catm - ccomp_tot ) < 1.e-8 ) ) THEN
5488	!
5489	!--surface concentration (almost) equal to atmospheric concentration
5490	!-- no exchange between surface and atmosphere, infinite RC --> vd=0
5491	rc_eff = 9999999999.0_wp
5492
5493	ELSE IF ( ccomp_tot > 0.0_wp ) THEN
5494	!
5495	!-- compensation point available, calculate effective resistance
5496	rc_eff = ( ( ra + rb ) * ccomp_tot + rc_tot * catm ) / ( catm - ccomp_tot )
5497
5498	ELSE
5499	rc_eff = -999.0_wp
5500	message_string = 'This should not be possible, check ccomp_tot'
5501	CALL message( 'rc_comp_point_rc_eff', 'CM0461', 1, 2, 0, 6, 0 )
5502	ENDIF
5503
5504	RETURN
5505
5506	END SUBROUTINE rc_comp_point_rc_eff
5507
5508
5509
5510	!-------------------------------------------------------------------
5511	!> missing: check for data that correspond with a missing deposition path
5512	!> this data is represented by -999
5513	!-------------------------------------------------------------------
5514
5515	LOGICAL function missing( x )
5516
5517	REAL(wp), INTENT(IN) :: x
5518
5519	!
5520	!-- bandwidth for checking (in)equalities of floats
5521	REAL(wp), PARAMETER :: eps = 1.0e-5
5522
5523	missing = (abs(x + 999.0_wp) <= eps)
5524
5525	END function missing
5526
5527
5528
5529	ELEMENTAL FUNCTION sedimentation_velocity( rhopart, partsize, slipcor, visc ) RESULT( vs )
5530
5531
5532	IMPLICIT NONE
5533
5534	!
5535	!-- in/out
5536
5537	REAL(wp), INTENT(IN) :: rhopart !< particle density (kg/m3)
5538	REAL(wp), INTENT(IN) :: partsize !< particle size (m)
5539	REAL(wp), INTENT(IN) :: slipcor !< slip correction factor (m)
5540	REAL(wp), INTENT(IN) :: visc !< viscosity
5541
5542	REAL(wp) :: vs
5543
5544	!
5545	!-- acceleration of gravity:
5546	REAL(wp), PARAMETER :: grav = 9.80665 !< m/s2
5547
5548
5549
5550	!
5551	!-- sedimentation velocity
5552	vs = rhopart * ( partsize*2.0_wp ) grav * slipcor / ( 18.0_wp * visc )
5553
5554	END FUNCTION sedimentation_velocity
5555
5556
5557	!------------------------------------------------------------------------
5558	!> Boundary-layer deposition resistance following Zhang (2001)
5559	!------------------------------------------------------------------------
5560	SUBROUTINE drydepo_aero_zhang_vd( vd, Rs, vs1, partsize, slipcor, nwet, tsurf, dens1, viscos1, &
5561	luc, ftop_lu, ustar_lu )
5562
5563
5564	IMPLICIT NONE
5565
5566	! -- in/out
5567
5568	INTEGER(iwp), INTENT(IN) :: nwet !< 1=rain, 9=snowcover
5569	INTEGER(iwp), INTENT(IN) :: luc !< DEPAC LU
5570
5571	REAL(wp), INTENT(IN) :: vs1 !< sedimentation velocity in lowest layer
5572	REAL(wp), INTENT(IN) :: partsize !< particle diameter (m)
5573	REAL(wp), INTENT(IN) :: slipcor !< slip correction factor
5574	REAL(wp), INTENT(IN) :: tsurf !< surface temperature (K)
5575	REAL(wp), INTENT(IN) :: dens1 !< air density (kg/m3) in lowest layer
5576	REAL(wp), INTENT(IN) :: viscos1 !< air viscosity in lowest layer
5577	REAL(wp), INTENT(IN) :: ftop_lu !< atmospheric resistnace Ra
5578	REAL(wp), INTENT(IN) :: ustar_lu !< friction velocity u*
5579
5580	REAL(wp), INTENT(OUT) :: vd !< deposition velocity (m/s)
5581	REAL(wp), INTENT(OUT) :: Rs !< sedimentaion resistance (s/m)
5582
5583
5584	!
5585	!-- constants
5586
5587	REAL(wp), PARAMETER :: grav = 9.80665 !< acceleration of gravity (m/s2)
5588
5589	REAL(wp), PARAMETER :: beta = 2.0
5590	REAL(wp), PARAMETER :: epsilon0 = 3.0
5591	REAL(wp), PARAMETER :: kb = 1.38066e-23
5592	REAL(wp), PARAMETER :: pi = 3.141592654_wp !< pi
5593
5594	REAL(wp), PARAMETER :: alfa_lu(nlu_dep) = &
5595	(/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/)
5596	REAL(wp), PARAMETER :: gamma_lu(nlu_dep) = &
5597	(/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/)
5598	REAL(wp), PARAMETER ::A_lu(nlu_dep) = &
5599	(/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./)
5600	!
5601	!-- grass arabl crops conif decid water urba othr desr ice sav trf wai med sem
5602
5603	!
5604	!-- local
5605
5606	REAL(wp) :: kinvisc
5607	REAL(wp) :: diff_part
5608	REAL(wp) :: schmidt
5609	REAL(wp) :: stokes
5610	REAL(wp) :: Ebrown
5611	REAL(wp) :: Eimpac
5612	REAL(wp) :: Einterc
5613	REAL(wp) :: Reffic
5614
5615
5616	!
5617	!-- kinetic viscosity & diffusivity
5618	kinvisc = viscos1 / dens1 !< only needed at surface
5619
5620	diff_part = kb * tsurf * slipcor / ( 3 * pi * viscos1 * partsize )
5621
5622	!
5623	!-- Schmidt number
5624	schmidt = kinvisc / diff_part
5625
5626	!
5627	!-- calculate collection efficiencie E
5628	Ebrown = Schmidt**( -gamma_lu(luc) ) !< Brownian diffusion
5629	!
5630	!-- determine Stokes number, interception efficiency
5631	!-- and sticking efficiency R (1 = no rebound)
5632	IF ( luc == ilu_ice .OR. nwet==9 .OR. luc == ilu_water_sea .OR. luc == ilu_water_inland ) THEN
5633	stokes = vs1 * ustar_lu*2 / ( grav kinvisc )
5634	Einterc = 0.0_wp
5635	Reffic = 1.0_wp
5636	ELSE IF ( luc == ilu_other .OR. luc == ilu_desert ) THEN !<tundra of desert
5637	stokes = vs1 * ustar_lu*2 / ( grav kinvisc )
5638	Einterc = 0.0_wp
5639	Reffic = exp( -Stokes**0.5_wp )
5640	ELSE
5641	stokes = vs1 * ustar_lu / (grav * A_lu(luc) * 1.e-3)
5642	Einterc = 0.5_wp * ( partsize / (A_lu(luc) * 1e-3 ) )**2
5643	Reffic = exp( -Stokes**0.5_wp )
5644	END IF
5645	!
5646	!-- when surface is wet all particles do not rebound:
5647	IF ( nwet==1 ) Reffic = 1.0_wp
5648	!
5649	!-- determine impaction efficiency:
5650	Eimpac = ( stokes / ( alfa_lu(luc) + stokes ) )**beta
5651
5652	!
5653	!-- sedimentation resistance:
5654	Rs = 1.0_wp / ( epsilon0 * ustar_lu * ( Ebrown + Eimpac + Einterc ) * Reffic )
5655
5656	!
5657	!-- deposition velocity according to Seinfeld and Pandis (2006; eq 19.7):
5658	!
5659	! 1
5660	! vd = ------------------ + vs
5661	! Ra + Rs + RaRsvs
5662	!
5663	!-- where: Rs = Rb (in Seinfeld and Pandis, 2006)
5664	!
5665	!
5666
5667	vd = 1.0_wp / ( ftop_lu + Rs + ftop_lu * Rs * vs1) + vs1
5668
5669
5670	END SUBROUTINE drydepo_aero_zhang_vd
5671
5672
5673	!-------------------------------------------------------------------------------------
5674	!> Compute quasi-laminar boundary layer resistance as a function of landuse and tracer
5675	!> Original EMEP formulation by (Simpson et al, 2003) is used
5676	!-------------------------------------------------------------------------------------
5677	SUBROUTINE get_rb_cell( is_water, z0h, ustar, diffc, Rb )
5678
5679
5680	IMPLICIT NONE
5681
5682	!-- in/out
5683
5684	LOGICAL , INTENT(IN) :: is_water
5685
5686	REAL(wp), INTENT(IN) :: z0h !< roughness length for heat
5687	REAL(wp), INTENT(IN) :: ustar !< friction velocity
5688	REAL(wp), INTENT(IN) :: diffc !< coefficient of diffusivity
5689
5690	REAL(wp), INTENT(OUT) :: Rb !< boundary layer resistance
5691
5692	!
5693	!-- const
5694
5695	REAL(wp), PARAMETER :: thk = 0.19e-4 !< thermal diffusivity of dry air 20 C
5696	REAL(wp), PARAMETER :: kappa_stab = 0.35 !< von Karman constant
5697
5698
5699	!
5700	!-- Use Simpson et al. (2003)
5701	!-- @TODO: Check Rb over water calculation, until then leave commented lines
5702	!IF ( is_water ) THEN
5703	! org: Rb = 1.0_wp / (kappa_stabMAX(0.01_wp,ustar)) log(z0h/diffckappa_stabMAX(0.01_wp,ustar))
5704	! Rb = 1.0_wp / (kappa_stabMAX(0.1_wp,ustar)) log(z0h/diffckappa_stabMAX(0.1_wp,ustar))
5705	!ELSE
5706	Rb = 5.0_wp / MAX( 0.01_wp, ustar ) * ( thk / diffc )**0.67_wp
5707	!END IF
5708
5709	END SUBROUTINE get_rb_cell
5710
5711
5712	!-----------------------------------------------------------------
5713	!> Compute water vapor partial pressure (e_w)
5714	!> given specific humidity Q [(kg water)/(kg air)].
5715	!>
5716	!> Use that gas law for volume V with temperature T
5717	!> holds for the total mixture as well as the water part:
5718	!>
5719	!> R T / V = p_air / n_air = p_water / n_water
5720	!>
5721	!> thus:
5722	!>
5723	!> p_water = p_air n_water / n_air
5724	!>
5725	!> Use:
5726	!> n_air = m_air / xm_air
5727	!> [kg air] / [(kg air)/(mole air)]
5728	!> and:
5729	!> n_water = m_air * Q / xm_water
5730	!> [kg water] / [(kg water)/(mole water)]
5731	!> thus:
5732	!> p_water = p_air Q / (xm_water/xm_air)
5733	!------------------------------------------------------------------
5734
5735	ELEMENTAL FUNCTION watervaporpartialpressure( q, p ) RESULT( p_w )
5736
5737	IMPLICIT NONE
5738
5739	!
5740	!-- in/out
5741
5742	REAL(wp), INTENT(IN) :: q !< specific humidity [(kg water)/(kg air)]
5743	REAL(wp), INTENT(IN) :: p !< air pressure [Pa]
5744
5745	REAL(wp) :: p_w !< water vapor partial pressure [Pa]
5746
5747	!
5748	!-- const
5749
5750	REAL(wp), PARAMETER :: eps = xm_h2o / xm_air !< mole mass ratio ~ 0.622
5751
5752	!
5753	!-- partial pressure of water vapor:
5754	p_w = p * q / eps
5755
5756	END function watervaporpartialpressure
5757
5758
5759
5760	!------------------------------------------------------------------
5761	!> Saturation vapor pressure.
5762	!> From (Stull 1988, eq. 7.5.2d):
5763	!>
5764	!> e_sat = p0 exp( 17.67 * (T-273.16) / (T-29.66) ) [Pa]
5765	!>
5766	!> where:
5767	!> p0 = 611.2 [Pa] : reference pressure
5768	!>
5769	!> Arguments:
5770	!> T [K] : air temperature
5771	!> Result:
5772	!> e_sat_w [Pa] : saturation vapor pressure
5773	!>
5774	!> References:
5775	!> Roland B. Stull, 1988
5776	!> An introduction to boundary layer meteorology.
5777	!-----------------------------------------------------------------
5778
5779	ELEMENTAL FUNCTION saturationvaporpressure( t ) RESULT( e_sat_w )
5780
5781
5782	IMPLICIT NONE
5783
5784	!
5785	!-- in/out
5786
5787	REAL(wp), INTENT(IN) :: t !< temperature [K]
5788
5789	REAL(wp) :: e_sat_w !< saturation vapor pressure [Pa]
5790
5791	!
5792	!-- const
5793	REAL(wp), PARAMETER :: p0 = 611.2 !< base pressure [Pa]
5794
5795	!
5796	!-- saturation vapor pressure:
5797	e_sat_w = p0 * exp( 17.67_wp * ( t - 273.16_wp ) / ( t - 29.66_wp ) ) !< [Pa]
5798
5799	END FUNCTION saturationvaporpressure
5800
5801
5802
5803	!------------------------------------------------------------------------
5804	!> Relative humidity RH [%] is by definition:
5805	!>
5806	!> e_w water vapor partial pressure
5807	!> Rh = -------- * 100
5808	!> e_sat_w saturation vapor pressure
5809	!------------------------------------------------------------------------
5810
5811	ELEMENTAL FUNCTION relativehumidity_from_specifichumidity( q, t, p ) RESULT( rh )
5812
5813
5814	IMPLICIT NONE
5815
5816	!
5817	!-- in/out
5818
5819	REAL(wp), INTENT(IN) :: q !< specific humidity [(kg water)/(kg air)]
5820	REAL(wp), INTENT(IN) :: t !< temperature [K]
5821	REAL(wp), INTENT(IN) :: p !< air pressure [Pa]
5822
5823	REAL(wp) :: rh !< relative humidity [%]
5824
5825	!
5826	!-- relative humidity:
5827	rh = watervaporpartialpressure( q, p ) / saturationvaporpressure( t ) * 100.0_wp
5828
5829	END FUNCTION relativehumidity_from_specifichumidity
5830
5831
5832
5833	END MODULE chemistry_model_mod
5834

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