Home

Context Navigation

source: palm/trunk/SOURCE/chemistry_model_mod.f90 @ 3643

Last change on this file since 3643 was 3643, checked in by knoop, 6 years ago
Bugfix: set found logical correct in chem_data_output_2d
Property svn:keywords set to `Id`
File size: 217.0 KB

Line
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 3643 2018-12-24 13:16:19Z knoop $
29	! Bugfix: set found logical correct in chem_data_output_2d
30	!
31	! 3638 2018-12-20 13:18:23Z forkel
32	! Added missing conversion factor fr2ppm for qvap
33	!
34	!
35	! 3637 2018-12-20 01:51:36Z knoop
36	! Implementation of the PALM module interface
37	!
38	! 3636 2018-12-19 13:48:34Z raasch
39	! nopointer option removed
40	!
41	! 3611 2018-12-07 14:14:11Z banzhafs
42	! Minor formatting
43	!
44	! 3600 2018-12-04 13:49:07Z banzhafs
45	! Code update to comply PALM coding rules
46	! Bug fix in par_dir_diff subroutine
47	! Small fixes (corrected 'conastant', added 'Unused')
48	!
49	! 3586 2018-11-30 13:20:29Z dom_dwd_user
50	! Changed character lenth of name in species_def and photols_def to 15
51	!
52	! 3570 2018-11-27 17:44:21Z kanani
53	! resler:
54	! Break lines at 132 characters
55	!
56	! 3543 2018-11-20 17:06:15Z suehring
57	! Remove tabs
58	!
59	! 3542 2018-11-20 17:04:13Z suehring
60	! working precision added to make code Fortran 2008 conform
61	!
62	! 3458 2018-10-30 14:51:23Z kanani
63	! from chemistry branch r3443, banzhafs, basit:
64	! replace surf_lsm_h%qv1(m) by q(k,j,i) for mixing ratio in chem_depo
65	!
66	! bug fix in chem_depo: allow different surface fractions for one
67	! surface element and set lai to zero for non vegetated surfaces
68	! bug fixed in chem_data_output_2d
69	! bug fix in chem_depo subroutine
70	! added code on deposition of gases and particles
71	! removed cs_profile_name from chem_parin
72	! bug fixed in output profiles and code cleaned
73	!
74	! 3449 2018-10-29 19:36:56Z suehring
75	! additional output - merged from branch resler
76	!
77	! 3438 2018-10-28 19:31:42Z pavelkrc
78	! Add terrain-following masked output
79	!
80	! 3373 2018-10-18 15:25:56Z kanani
81	! Remove MPI_Abort, replace by message
82	!
83	! 3318 2018-10-08 11:43:01Z sward
84	! Fixed faulty syntax of message string
85	!
86	! 3298 2018-10-02 12:21:11Z kanani
87	! Add remarks (kanani)
88	! Merge with trunk, replaced cloud_physics by bulk_cloud_model 28.09.2018 forkel
89	! Subroutines header and chem_check_parameters added 25.09.2018 basit
90	! Removed chem_emission routine now declared in chem_emissions.f90 30.07.2018 ERUSSO
91	! Introduced emissions namelist parameters 30.07.2018 ERUSSO
92	!
93	! Timestep steering added in subroutine chem_integrate_ij and
94	! output of chosen solver in chem_parin added 30.07.2018 ketelsen
95	!
96	! chem_check_data_output_pr: added unit for PM compounds 20.07.2018 forkel
97	! replaced : by nzb+1:nzt for pt,q,ql (found by kk) 18.07.2018 forkel
98	! debugged restart run for chem species 06.07.2018 basit
99	! reorganized subroutines in alphabetical order. 27.06.2018 basit
100	! subroutine chem_parin updated for profile output 27.06.2018 basit
101	! Added humidity arrays to USE section and tmp_qvap in chem_integrate 26.6.2018 forkel
102	! Merged chemistry with with trunk (nzb_do and nzt_do in 3d output) 26.6.2018 forkel
103	!
104	! reorganized subroutines in alphabetical order. basit 22.06.2018
105	! subroutine chem_parin updated for profile output basit 22.06.2018
106	! subroutine chem_statistics added
107	! subroutine chem_check_data_output_pr add 21.06.2018 basit
108	! subroutine chem_data_output_mask added 20.05.2018 basit
109	! subroutine chem_data_output_2d added 20.05.2018 basit
110	! subroutine chem_statistics added 04.06.2018 basit
111	! subroutine chem_emissions: Set cssws to zero before setting values 20.03.2018 forkel
112	! subroutine chem_emissions: Introduced different conversion factors
113	! for PM and gaseous compounds 15.03.2018 forkel
114	! subroutine chem_emissions updated to take variable number of chem_spcs and
115	! emission factors. 13.03.2018 basit
116	! chem_boundary_conds_decycle improved. 05.03.2018 basit
117	! chem_boundary_conds_decycle subroutine added 21.02.2018 basit
118	! chem_init_profiles subroutines re-activated after correction 21.02.2018 basit
119	!
120	!
121	! 3293 2018-09-28 12:45:20Z forkel
122	! Modularization of all bulk cloud physics code components
123	!
124	! 3248 2018-09-14 09:42:06Z sward
125	! Minor formating changes
126	!
127	! 3246 2018-09-13 15:14:50Z sward
128	! Added error handling for input namelist via parin_fail_message
129	!
130	! 3241 2018-09-12 15:02:00Z raasch
131	! +nest_chemistry
132	!
133	! 3209 2018-08-27 16:58:37Z suehring
134	! Rename flags indicating outflow boundary conditions
135	!
136	! 3182 2018-07-27 13:36:03Z suehring
137	! Revise output of surface quantities in case of overhanging structures
138	!
139	! 3045 2018-05-28 07:55:41Z Giersch
140	! error messages revised
141	!
142	! 3014 2018-05-09 08:42:38Z maronga
143	! Bugfix: nzb_do and nzt_do were not used for 3d data output
144	!
145	! 3004 2018-04-27 12:33:25Z Giersch
146	! Comment concerning averaged data output added
147	!
148	! 2932 2018-03-26 09:39:22Z maronga
149	! renamed chemistry_par to chemistry_parameters
150	!
151	! 2894 2018-03-15 09:17:58Z Giersch
152	! Calculations of the index range of the subdomain on file which overlaps with
153	! the current subdomain are already done in read_restart_data_mod,
154	! chem_last_actions was renamed to chem_wrd_local, chem_read_restart_data was
155	! renamed to chem_rrd_local, chem_write_var_list was renamed to
156	! chem_wrd_global, chem_read_var_list was renamed to chem_rrd_global,
157	! chem_skip_var_list has been removed, variable named found has been
158	! introduced for checking if restart data was found, reading of restart strings
159	! has been moved completely to read_restart_data_mod, chem_rrd_local is already
160	! inside the overlap loop programmed in read_restart_data_mod, todo list has
161	! bees extended, redundant characters in chem_wrd_local have been removed,
162	! the marker * end chemistry * is not necessary anymore, strings and their
163	! respective lengths are written out and read now in case of restart runs to
164	! get rid of prescribed character lengths
165	!
166	! 2815 2018-02-19 11:29:57Z suehring
167	! Bugfix in restart mechanism,
168	! rename chem_tendency to chem_prognostic_equations,
169	! implement vector-optimized version of chem_prognostic_equations,
170	! some clean up (incl. todo list)
171	!
172	! 2773 2018-01-30 14:12:54Z suehring
173	! Declare variables required for nesting as public
174	!
175	! 2772 2018-01-29 13:10:35Z suehring
176	! Bugfix in string handling
177	!
178	! 2768 2018-01-24 15:38:29Z kanani
179	! Shorten lines to maximum length of 132 characters
180	!
181	! 2766 2018-01-22 17:17:47Z kanani
182	! Removed preprocessor directive __chem
183	!
184	! 2756 2018-01-16 18:11:14Z suehring
185	! Fill values in 3D output introduced.
186	!
187	! 2718 2018-01-02 08:49:38Z maronga
188	! Initial revision
189	!
190	!
191	!
192	!
193	! Authors:
194	! --------
195	! @author Renate Forkel
196	! @author Farah Kanani-Suehring
197	! @author Klaus Ketelsen
198	! @author Basit Khan
199	! @author Sabine Banzhaf
200	!
201	!
202	!------------------------------------------------------------------------------!
203	! Description:
204	! ------------
205	!> Chemistry model for PALM-4U
206	!> @todo Adjust chem_rrd_local to CASE structure of others modules. It is not
207	!> allowed to use the chemistry model in a precursor run and additionally
208	!> not using it in a main run
209	!> @todo Update/clean-up todo list! (FK)
210	!> @todo Set proper fill values (/= 0) for chem output arrays! (FK)
211	!> @todo Add routine chem_check_parameters, add checks for inconsistent or
212	!> unallowed parameter settings.
213	!> CALL of chem_check_parameters from check_parameters. (FK)
214	!> @todo Make routine chem_header available, CALL from header.f90
215	!> (see e.g. how it is done in routine lsm_header in
216	!> land_surface_model_mod.f90). chem_header should include all setup
217	!> info about chemistry parameter settings. (FK)
218	!> @todo Implement turbulent inflow of chem spcs in inflow_turbulence.
219	!> @todo Separate boundary conditions for each chem spcs to be implemented
220	!> @todo Currently only total concentration are calculated. Resolved, parameterized
221	!> and chemistry fluxes although partially and some completely coded but
222	!> are not operational/activated in this version. bK.
223	!> @todo slight differences in passive scalar and chem spcs when chem reactions
224	!> turned off. Need to be fixed. bK
225	!> @todo test nesting for chem spcs, was implemented by suehring (kanani)
226	!> @todo chemistry error messages
227	!> @todo Format this module according to PALM coding standard (see e.g. module
228	!> template under http://palm.muk.uni-hannover.de/mosaik/downloads/8 or
229	!> D3_coding_standard.pdf under https://palm.muk.uni-hannover.de/trac/downloads/16)
230	!
231	!------------------------------------------------------------------------------!
232
233	MODULE chemistry_model_mod
234
235	USE kinds, &
236	ONLY: iwp, wp
237
238	USE indices, &
239	ONLY: nz, nzb, nzt, nysg, nyng, nxlg, nxrg, nys, nyn, nx, nxl, nxr, ny, wall_flags_0
240
241	USE pegrid, &
242	ONLY: myid, threads_per_task
243
244	USE bulk_cloud_model_mod, &
245	ONLY: bulk_cloud_model
246
247	USE control_parameters, &
248	ONLY: bc_lr_cyc, bc_ns_cyc, dt_3d, humidity, initializing_actions, message_string, &
249	omega, tsc, intermediate_timestep_count, intermediate_timestep_count_max, &
250	max_pr_user, timestep_scheme, use_prescribed_profile_data, ws_scheme_sca
251
252	USE arrays_3d, &
253	ONLY: exner, hyp, pt, q, ql, rdf_sc, tend, zu
254
255	USE chem_gasphase_mod, &
256	ONLY: nspec, spc_names, nkppctrl, nmaxfixsteps, t_steps, chem_gasphase_integrate, &
257	vl_dim, nvar, nreact, atol, rtol, nphot, phot_names
258
259	USE cpulog, &
260	ONLY: cpu_log, log_point
261
262	USE chem_modules
263
264	USE statistics
265
266	IMPLICIT NONE
267	PRIVATE
268	SAVE
269
270	LOGICAL :: nest_chemistry = .TRUE. !< flag for nesting mode of chemical species, independent on parent or not
271	!
272	!- Define chemical variables
273	TYPE species_def
274	CHARACTER(LEN=15) :: name
275	CHARACTER(LEN=15) :: unit
276	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc
277	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_av
278	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p
279	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m
280	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av
281	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs
282	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs
283	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs
284	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs
285	REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init
286	END TYPE species_def
287
288
289	TYPE photols_def
290	CHARACTER(LEN=15) :: name
291	CHARACTER(LEN=15) :: unit
292	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq
293	END TYPE photols_def
294
295
296	PUBLIC species_def
297	PUBLIC photols_def
298
299
300	TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET, PUBLIC :: chem_species
301	TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET, PUBLIC :: phot_frequen
302
303	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_1
304	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_2
305	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_3
306	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: spec_conc_av
307	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:,:), TARGET :: freq_1
308
309	INTEGER, DIMENSION(nkppctrl) :: icntrl !< Fine tuning kpp
310	REAL(kind=wp), DIMENSION(nkppctrl) :: rcntrl !< Fine tuning kpp
311	LOGICAL :: decycle_chem_lr = .FALSE.
312	LOGICAL :: decycle_chem_ns = .FALSE.
313	CHARACTER (LEN=20), DIMENSION(4) :: decycle_method = &
314	(/'dirichlet','dirichlet','dirichlet','dirichlet'/)
315	!< Decycling method at horizontal boundaries,
316	!< 1=left, 2=right, 3=south, 4=north
317	!< dirichlet = initial size distribution and
318	!< chemical composition set for the ghost and
319	!< first three layers
320	!< neumann = zero gradient
321
322	REAL(kind=wp), PUBLIC :: cs_time_step = 0._wp
323	CHARACTER(10), PUBLIC :: photolysis_scheme
324	!< 'constant',
325	!< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
326	!< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED
327
328
329	!
330	!-- Parameter needed for Deposition calculation using DEPAC model (van Zanten et al., 2010)
331	!
332	INTEGER(iwp), PARAMETER :: nlu_dep = 15 !< Number of DEPAC landuse classes (lu's)
333	INTEGER(iwp), PARAMETER :: ncmp = 10 !< Number of DEPAC gas components
334	INTEGER(iwp), PARAMETER :: nposp = 69 !< Number of possible species for deposition
335	!
336	!-- DEPAC landuse classes as defined in LOTOS-EUROS model v2.1
337	INTEGER(iwp) :: ilu_grass = 1
338	INTEGER(iwp) :: ilu_arable = 2
339	INTEGER(iwp) :: ilu_permanent_crops = 3
340	INTEGER(iwp) :: ilu_coniferous_forest = 4
341	INTEGER(iwp) :: ilu_deciduous_forest = 5
342	INTEGER(iwp) :: ilu_water_sea = 6
343	INTEGER(iwp) :: ilu_urban = 7
344	INTEGER(iwp) :: ilu_other = 8
345	INTEGER(iwp) :: ilu_desert = 9
346	INTEGER(iwp) :: ilu_ice = 10
347	INTEGER(iwp) :: ilu_savanna = 11
348	INTEGER(iwp) :: ilu_tropical_forest = 12
349	INTEGER(iwp) :: ilu_water_inland = 13
350	INTEGER(iwp) :: ilu_mediterrean_scrub = 14
351	INTEGER(iwp) :: ilu_semi_natural_veg = 15
352
353	!
354	!-- NH3/SO2 ratio regimes:
355	INTEGER(iwp), PARAMETER :: iratns_low = 1 !< low ratio NH3/SO2
356	INTEGER(iwp), PARAMETER :: iratns_high = 2 !< high ratio NH3/SO2
357	INTEGER(iwp), PARAMETER :: iratns_very_low = 3 !< very low ratio NH3/SO2
358	!
359	!-- Default:
360	INTEGER, PARAMETER :: iratns_default = iratns_low
361	!
362	!-- Set alpha for f_light (4.57 is conversion factor from 1./(mumol m-2 s-1) to W m-2
363	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: alpha =(/ 0.009, 0.009, 0.009, 0.006, 0.006, -999., -999., 0.009, -999., &
364	-999., 0.009, 0.006, -999., 0.009, 0.008/)*4.57
365	!
366	!-- Set temperatures per land use for f_temp
367	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: tmin = (/ 12.0, 12.0, 12.0, 0.0, 0.0, -999., -999., 12.0, -999., -999., &
368	12.0, 0.0, -999., 12.0, 8.0/)
369	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: topt = (/ 26.0, 26.0, 26.0, 18.0, 20.0, -999., -999., 26.0, -999., -999., &
370	26.0, 20.0, -999., 26.0, 24.0 /)
371	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: tmax = (/ 40.0, 40.0, 40.0, 36.0, 35.0, -999., -999., 40.0, -999., -999., &
372	40.0, 35.0, -999., 40.0, 39.0 /)
373	!
374	!-- Set f_min:
375	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, &
376	0.1, -999., 0.01, 0.04/)
377
378	!
379	!-- Set maximal conductance (m/s)
380	!-- (R T/P) = 1/41000 mmol/m3 is given for 20 deg C to go from mmol O3/m2/s to m/s
381	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: g_max = (/ 270., 300., 300., 140., 150., -999., -999., 270., -999., -999., &
382	270., 150., -999., 300., 422./)/41000
383	!
384	!-- Set max, min for vapour pressure deficit vpd
385	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, &
386	1.0, -999., 0.9, 2.8/)
387	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, &
388	3.25, -999., 2.8, 4.5/)
389
390
391	PUBLIC nest_chemistry
392	PUBLIC nspec
393	PUBLIC nreact
394	PUBLIC nvar
395	PUBLIC spc_names
396	PUBLIC spec_conc_2
397
398	!
399	!-- Interface section
400	INTERFACE chem_3d_data_averaging
401	MODULE PROCEDURE chem_3d_data_averaging
402	END INTERFACE chem_3d_data_averaging
403
404	INTERFACE chem_boundary_conds
405	MODULE PROCEDURE chem_boundary_conds
406	MODULE PROCEDURE chem_boundary_conds_decycle
407	END INTERFACE chem_boundary_conds
408
409	INTERFACE chem_check_data_output
410	MODULE PROCEDURE chem_check_data_output
411	END INTERFACE chem_check_data_output
412
413	INTERFACE chem_data_output_2d
414	MODULE PROCEDURE chem_data_output_2d
415	END INTERFACE chem_data_output_2d
416
417	INTERFACE chem_data_output_3d
418	MODULE PROCEDURE chem_data_output_3d
419	END INTERFACE chem_data_output_3d
420
421	INTERFACE chem_data_output_mask
422	MODULE PROCEDURE chem_data_output_mask
423	END INTERFACE chem_data_output_mask
424
425	INTERFACE chem_check_data_output_pr
426	MODULE PROCEDURE chem_check_data_output_pr
427	END INTERFACE chem_check_data_output_pr
428
429	INTERFACE chem_check_parameters
430	MODULE PROCEDURE chem_check_parameters
431	END INTERFACE chem_check_parameters
432
433	INTERFACE chem_define_netcdf_grid
434	MODULE PROCEDURE chem_define_netcdf_grid
435	END INTERFACE chem_define_netcdf_grid
436
437	INTERFACE chem_header
438	MODULE PROCEDURE chem_header
439	END INTERFACE chem_header
440
441	INTERFACE chem_init
442	MODULE PROCEDURE chem_init
443	END INTERFACE chem_init
444
445	INTERFACE chem_init_profiles
446	MODULE PROCEDURE chem_init_profiles
447	END INTERFACE chem_init_profiles
448
449	INTERFACE chem_integrate
450	MODULE PROCEDURE chem_integrate_ij
451	END INTERFACE chem_integrate
452
453	INTERFACE chem_parin
454	MODULE PROCEDURE chem_parin
455	END INTERFACE chem_parin
456
457	INTERFACE chem_prognostic_equations
458	MODULE PROCEDURE chem_prognostic_equations
459	MODULE PROCEDURE chem_prognostic_equations_ij
460	END INTERFACE chem_prognostic_equations
461
462	INTERFACE chem_rrd_local
463	MODULE PROCEDURE chem_rrd_local
464	END INTERFACE chem_rrd_local
465
466	INTERFACE chem_statistics
467	MODULE PROCEDURE chem_statistics
468	END INTERFACE chem_statistics
469
470	INTERFACE chem_swap_timelevel
471	MODULE PROCEDURE chem_swap_timelevel
472	END INTERFACE chem_swap_timelevel
473
474	INTERFACE chem_wrd_local
475	MODULE PROCEDURE chem_wrd_local
476	END INTERFACE chem_wrd_local
477
478	INTERFACE chem_depo
479	MODULE PROCEDURE chem_depo
480	END INTERFACE chem_depo
481
482	INTERFACE drydepos_gas_depac
483	MODULE PROCEDURE drydepos_gas_depac
484	END INTERFACE drydepos_gas_depac
485
486	INTERFACE rc_special
487	MODULE PROCEDURE rc_special
488	END INTERFACE rc_special
489
490	INTERFACE rc_gw
491	MODULE PROCEDURE rc_gw
492	END INTERFACE rc_gw
493
494	INTERFACE rw_so2
495	MODULE PROCEDURE rw_so2
496	END INTERFACE rw_so2
497
498	INTERFACE rw_nh3_sutton
499	MODULE PROCEDURE rw_nh3_sutton
500	END INTERFACE rw_nh3_sutton
501
502	INTERFACE rw_constant
503	MODULE PROCEDURE rw_constant
504	END INTERFACE rw_constant
505
506	INTERFACE rc_gstom
507	MODULE PROCEDURE rc_gstom
508	END INTERFACE rc_gstom
509
510	INTERFACE rc_gstom_emb
511	MODULE PROCEDURE rc_gstom_emb
512	END INTERFACE rc_gstom_emb
513
514	INTERFACE par_dir_diff
515	MODULE PROCEDURE par_dir_diff
516	END INTERFACE par_dir_diff
517
518	INTERFACE rc_get_vpd
519	MODULE PROCEDURE rc_get_vpd
520	END INTERFACE rc_get_vpd
521
522	INTERFACE rc_gsoil_eff
523	MODULE PROCEDURE rc_gsoil_eff
524	END INTERFACE rc_gsoil_eff
525
526	INTERFACE rc_rinc
527	MODULE PROCEDURE rc_rinc
528	END INTERFACE rc_rinc
529
530	INTERFACE rc_rctot
531	MODULE PROCEDURE rc_rctot
532	END INTERFACE rc_rctot
533
534	INTERFACE rc_comp_point_rc_eff
535	MODULE PROCEDURE rc_comp_point_rc_eff
536	END INTERFACE rc_comp_point_rc_eff
537
538	INTERFACE drydepo_aero_zhang_vd
539	MODULE PROCEDURE drydepo_aero_zhang_vd
540	END INTERFACE drydepo_aero_zhang_vd
541
542	INTERFACE get_rb_cell
543	MODULE PROCEDURE get_rb_cell
544	END INTERFACE get_rb_cell
545
546
547
548	PUBLIC chem_3d_data_averaging, chem_boundary_conds, chem_check_data_output, &
549	chem_check_data_output_pr, chem_check_parameters, &
550	chem_data_output_2d, chem_data_output_3d, chem_data_output_mask, &
551	chem_define_netcdf_grid, chem_header, chem_init, &
552	chem_init_profiles, chem_integrate, chem_parin, &
553	chem_prognostic_equations, chem_rrd_local, &
554	chem_statistics, chem_swap_timelevel, chem_wrd_local, chem_depo
555
556
557
558	CONTAINS
559
560	!
561	!------------------------------------------------------------------------------!
562	!
563	! Description:
564	! ------------
565	!> Subroutine for averaging 3D data of chemical species. Due to the fact that
566	!> the averaged chem arrays are allocated in chem_init, no if-query concerning
567	!> the allocation is required (in any mode). Attention: If you just specify an
568	!> averaged output quantity in the _p3dr file during restarts the first output
569	!> includes the time between the beginning of the restart run and the first
570	!> output time (not necessarily the whole averaging_interval you have
571	!> specified in your _p3d/_p3dr file )
572	!------------------------------------------------------------------------------!
573
574	SUBROUTINE chem_3d_data_averaging( mode, variable )
575
576	USE control_parameters
577
578	USE indices
579
580	USE kinds
581
582	USE surface_mod, &
583	ONLY: surf_def_h, surf_lsm_h, surf_usm_h
584
585	IMPLICIT NONE
586
587	CHARACTER (LEN=*) :: mode !<
588	CHARACTER (LEN=*) :: variable !<
589
590	LOGICAL :: match_def !< flag indicating natural-type surface
591	LOGICAL :: match_lsm !< flag indicating natural-type surface
592	LOGICAL :: match_usm !< flag indicating urban-type surface
593
594	INTEGER(iwp) :: i !< grid index x direction
595	INTEGER(iwp) :: j !< grid index y direction
596	INTEGER(iwp) :: k !< grid index z direction
597	INTEGER(iwp) :: m !< running index surface type
598	INTEGER(iwp) :: lsp !< running index for chem spcs
599
600	IF ( (variable(1:3) == 'kc_' .OR. variable(1:3) == 'em_') ) THEN
601
602	IF ( mode == 'allocate' ) THEN
603	DO lsp = 1, nspec
604	IF ( TRIM(variable(1:3)) == 'kc_' .AND. &
605	TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN
606	chem_species(lsp)%conc_av = 0.0_wp
607	ENDIF
608	ENDDO
609
610	ELSEIF ( mode == 'sum' ) THEN
611
612	DO lsp = 1, nspec
613	IF ( TRIM(variable(1:3)) == 'kc_' .AND. &
614	TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN
615	DO i = nxlg, nxrg
616	DO j = nysg, nyng
617	DO k = nzb, nzt+1
618	chem_species(lsp)%conc_av(k,j,i) = chem_species(lsp)%conc_av(k,j,i) + &
619	chem_species(lsp)%conc(k,j,i)
620	ENDDO
621	ENDDO
622	ENDDO
623	ELSEIF ( TRIM(variable(4:)) == TRIM('cssws*') ) THEN
624	DO i = nxl, nxr
625	DO j = nys, nyn
626	match_def = surf_def_h(0)%start_index(j,i) <= &
627	surf_def_h(0)%end_index(j,i)
628	match_lsm = surf_lsm_h%start_index(j,i) <= &
629	surf_lsm_h%end_index(j,i)
630	match_usm = surf_usm_h%start_index(j,i) <= &
631	surf_usm_h%end_index(j,i)
632
633	IF ( match_def ) THEN
634	m = surf_def_h(0)%end_index(j,i)
635	chem_species(lsp)%cssws_av(j,i) = &
636	chem_species(lsp)%cssws_av(j,i) + &
637	surf_def_h(0)%cssws(lsp,m)
638	ELSEIF ( match_lsm .AND. .NOT. match_usm ) THEN
639	m = surf_lsm_h%end_index(j,i)
640	chem_species(lsp)%cssws_av(j,i) = &
641	chem_species(lsp)%cssws_av(j,i) + &
642	surf_lsm_h%cssws(lsp,m)
643	ELSEIF ( match_usm ) THEN
644	m = surf_usm_h%end_index(j,i)
645	chem_species(lsp)%cssws_av(j,i) = &
646	chem_species(lsp)%cssws_av(j,i) + &
647	surf_usm_h%cssws(lsp,m)
648	ENDIF
649	ENDDO
650	ENDDO
651	ENDIF
652	ENDDO
653
654	ELSEIF ( mode == 'average' ) THEN
655	DO lsp = 1, nspec
656	IF ( TRIM(variable(1:3)) == 'kc_' .AND. &
657	TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN
658	DO i = nxlg, nxrg
659	DO j = nysg, nyng
660	DO k = nzb, nzt+1
661	chem_species(lsp)%conc_av(k,j,i) = chem_species(lsp)%conc_av(k,j,i) / REAL( average_count_3d, KIND=wp )
662	ENDDO
663	ENDDO
664	ENDDO
665
666	ELSEIF (TRIM(variable(4:)) == TRIM('cssws*') ) THEN
667	DO i = nxlg, nxrg
668	DO j = nysg, nyng
669	chem_species(lsp)%cssws_av(j,i) = chem_species(lsp)%cssws_av(j,i) / REAL( average_count_3d, KIND=wp )
670	ENDDO
671	ENDDO
672	CALL exchange_horiz_2d( chem_species(lsp)%cssws_av, nbgp )
673	ENDIF
674	ENDDO
675
676	ENDIF
677
678	ENDIF
679
680	END SUBROUTINE chem_3d_data_averaging
681
682	!
683	!------------------------------------------------------------------------------!
684	!
685	! Description:
686	! ------------
687	!> Subroutine to initialize and set all boundary conditions for chemical species
688	!------------------------------------------------------------------------------!
689
690	SUBROUTINE chem_boundary_conds( mode )
691
692	USE control_parameters, &
693	ONLY: air_chemistry, bc_radiation_l, bc_radiation_n, bc_radiation_r, &
694	bc_radiation_s
695	USE indices, &
696	ONLY: nxl, nxr, nxlg, nxrg, nyng, nysg, nzt
697
698	USE arrays_3d, &
699	ONLY: dzu
700
701	USE surface_mod, &
702	ONLY: bc_h
703
704	CHARACTER (len=*), INTENT(IN) :: mode
705	INTEGER(iwp) :: i !< grid index x direction.
706	INTEGER(iwp) :: j !< grid index y direction.
707	INTEGER(iwp) :: k !< grid index z direction.
708	INTEGER(iwp) :: kb !< variable to set respective boundary value, depends on facing.
709	INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls.
710	INTEGER(iwp) :: m !< running index surface elements.
711	INTEGER(iwp) :: lsp !< running index for chem spcs.
712	INTEGER(iwp) :: lph !< running index for photolysis frequencies
713
714
715	SELECT CASE ( TRIM( mode ) )
716	CASE ( 'init' )
717
718	IF ( bc_cs_b == 'dirichlet' ) THEN
719	ibc_cs_b = 0
720	ELSEIF ( bc_cs_b == 'neumann' ) THEN
721	ibc_cs_b = 1
722	ELSE
723	message_string = 'unknown boundary condition: bc_cs_b ="' // TRIM( bc_cs_b ) // '"'
724	CALL message( 'chem_boundary_conds', 'CM0429', 1, 2, 0, 6, 0 ) !<
725	ENDIF
726	!
727	!-- Set Integer flags and check for possible erroneous settings for top
728	!-- boundary condition.
729	IF ( bc_cs_t == 'dirichlet' ) THEN
730	ibc_cs_t = 0
731	ELSEIF ( bc_cs_t == 'neumann' ) THEN
732	ibc_cs_t = 1
733	ELSEIF ( bc_cs_t == 'initial_gradient' ) THEN
734	ibc_cs_t = 2
735	ELSEIF ( bc_cs_t == 'nested' ) THEN
736	ibc_cs_t = 3
737	ELSE
738	message_string = 'unknown boundary condition: bc_c_t ="' // TRIM( bc_cs_t ) // '"'
739	CALL message( 'check_parameters', 'CM0430', 1, 2, 0, 6, 0 )
740	ENDIF
741
742
743	CASE ( 'set_bc_bottomtop' )
744	!-- Bottom boundary condtions for chemical species
745	DO lsp = 1, nspec
746	IF ( ibc_cs_b == 0 ) THEN
747	DO l = 0, 1
748	!-- Set index kb: For upward-facing surfaces (l=0), kb=-1, i.e.
749	!-- the chem_species(nspec)%conc_p value at the topography top (k-1)
750	!-- is set; for downward-facing surfaces (l=1), kb=1, i.e. the
751	!-- value at the topography bottom (k+1) is set.
752
753	kb = MERGE( -1, 1, l == 0 )
754	!$OMP PARALLEL DO PRIVATE( i, j, k )
755	DO m = 1, bc_h(l)%ns
756	i = bc_h(l)%i(m)
757	j = bc_h(l)%j(m)
758	k = bc_h(l)%k(m)
759	chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc(k+kb,j,i)
760	ENDDO
761	ENDDO
762
763	ELSEIF ( ibc_cs_b == 1 ) THEN
764	!-- in boundary_conds there is som extra loop over m here for passive tracer
765	DO l = 0, 1
766	kb = MERGE( -1, 1, l == 0 )
767	!$OMP PARALLEL DO PRIVATE( i, j, k )
768	DO m = 1, bc_h(l)%ns
769	i = bc_h(l)%i(m)
770	j = bc_h(l)%j(m)
771	k = bc_h(l)%k(m)
772	chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc_p(k,j,i)
773
774	ENDDO
775	ENDDO
776	ENDIF
777	ENDDO ! end lsp loop
778
779	!-- Top boundary conditions for chemical species - Should this not be done for all species?
780	IF ( ibc_cs_t == 0 ) THEN
781	DO lsp = 1, nspec
782	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc(nzt+1,:,:)
783	ENDDO
784	ELSEIF ( ibc_cs_t == 1 ) THEN
785	DO lsp = 1, nspec
786	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:)
787	ENDDO
788	ELSEIF ( ibc_cs_t == 2 ) THEN
789	DO lsp = 1, nspec
790	chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:) + bc_cs_t_val(lsp) * dzu(nzt+1)
791	ENDDO
792	ENDIF
793	!
794	CASE ( 'set_bc_lateral' )
795	!-- Lateral boundary conditions for chem species at inflow boundary
796	!-- are automatically set when chem_species concentration is
797	!-- initialized. The initially set value at the inflow boundary is not
798	!-- touched during time integration, hence, this boundary value remains
799	!-- at a constant value, which is the concentration that flows into the
800	!-- domain.
801	!-- Lateral boundary conditions for chem species at outflow boundary
802
803	IF ( bc_radiation_s ) THEN
804	DO lsp = 1, nspec
805	chem_species(lsp)%conc_p(:,nys-1,:) = chem_species(lsp)%conc_p(:,nys,:)
806	ENDDO
807	ELSEIF ( bc_radiation_n ) THEN
808	DO lsp = 1, nspec
809	chem_species(lsp)%conc_p(:,nyn+1,:) = chem_species(lsp)%conc_p(:,nyn,:)
810	ENDDO
811	ELSEIF ( bc_radiation_l ) THEN
812	DO lsp = 1, nspec
813	chem_species(lsp)%conc_p(:,:,nxl-1) = chem_species(lsp)%conc_p(:,:,nxl)
814	ENDDO
815	ELSEIF ( bc_radiation_r ) THEN
816	DO lsp = 1, nspec
817	chem_species(lsp)%conc_p(:,:,nxr+1) = chem_species(lsp)%conc_p(:,:,nxr)
818	ENDDO
819	ENDIF
820
821	END SELECT
822
823	END SUBROUTINE chem_boundary_conds
824
825	!
826	!------------------------------------------------------------------------------!
827	! Description:
828	! ------------
829	!> Boundary conditions for prognostic variables in chemistry: decycling in the
830	!> x-direction
831	!-----------------------------------------------------------------------------
832	SUBROUTINE chem_boundary_conds_decycle( cs_3d, cs_pr_init )
833
834	USE pegrid, &
835	ONLY: myid
836
837	IMPLICIT NONE
838	INTEGER(iwp) :: boundary !<
839	INTEGER(iwp) :: ee !<
840	INTEGER(iwp) :: copied !<
841	INTEGER(iwp) :: i !<
842	INTEGER(iwp) :: j !<
843	INTEGER(iwp) :: k !<
844	INTEGER(iwp) :: ss !<
845	REAL(wp), DIMENSION(nzb:nzt+1) :: cs_pr_init
846	REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: cs_3d
847	REAL(wp) :: flag !< flag to mask topography grid points
848
849	flag = 0.0_wp
850
851
852	!-- Left and right boundaries
853	IF ( decycle_chem_lr .AND. bc_lr_cyc ) THEN
854
855	DO boundary = 1, 2
856
857	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
858	!
859	!-- Initial profile is copied to ghost and first three layers
860	ss = 1
861	ee = 0
862	IF ( boundary == 1 .AND. nxl == 0 ) THEN
863	ss = nxlg
864	ee = nxl+2
865	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
866	ss = nxr-2
867	ee = nxrg
868	ENDIF
869
870	DO i = ss, ee
871	DO j = nysg, nyng
872	DO k = nzb+1, nzt
873	flag = MERGE( 1.0_wp, 0.0_wp, &
874	BTEST( wall_flags_0(k,j,i), 0 ) )
875	cs_3d(k,j,i) = cs_pr_init(k) * flag
876	ENDDO
877	ENDDO
878	ENDDO
879
880	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
881	!
882	!-- The value at the boundary is copied to the ghost layers to simulate
883	!-- an outlet with zero gradient
884	ss = 1
885	ee = 0
886	IF ( boundary == 1 .AND. nxl == 0 ) THEN
887	ss = nxlg
888	ee = nxl-1
889	copied = nxl
890	ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN
891	ss = nxr+1
892	ee = nxrg
893	copied = nxr
894	ENDIF
895
896	DO i = ss, ee
897	DO j = nysg, nyng
898	DO k = nzb+1, nzt
899	flag = MERGE( 1.0_wp, 0.0_wp, &
900	BTEST( wall_flags_0(k,j,i), 0 ) )
901	cs_3d(k,j,i) = cs_3d(k,j,copied) * flag
902	ENDDO
903	ENDDO
904	ENDDO
905
906	ELSE
907	WRITE(message_string,*) &
908	'unknown decycling method: decycle_method (', &
909	boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"'
910	CALL message( 'chem_boundary_conds_decycle', 'CM0431', &
911	1, 2, 0, 6, 0 )
912	ENDIF
913	ENDDO
914	ENDIF
915
916
917	!-- South and north boundaries
918	IF ( decycle_chem_ns .AND. bc_ns_cyc ) THEN
919
920	DO boundary = 3, 4
921
922	IF ( decycle_method(boundary) == 'dirichlet' ) THEN
923	!
924	!-- Initial profile is copied to ghost and first three layers
925	ss = 1
926	ee = 0
927	IF ( boundary == 3 .AND. nys == 0 ) THEN
928	ss = nysg
929	ee = nys+2
930	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
931	ss = nyn-2
932	ee = nyng
933	ENDIF
934
935	DO i = nxlg, nxrg
936	DO j = ss, ee
937	DO k = nzb+1, nzt
938	flag = MERGE( 1.0_wp, 0.0_wp, &
939	BTEST( wall_flags_0(k,j,i), 0 ) )
940	cs_3d(k,j,i) = cs_pr_init(k) * flag
941	ENDDO
942	ENDDO
943	ENDDO
944
945
946	ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN
947	!
948	!-- The value at the boundary is copied to the ghost layers to simulate
949	!-- an outlet with zero gradient
950	ss = 1
951	ee = 0
952	IF ( boundary == 3 .AND. nys == 0 ) THEN
953	ss = nysg
954	ee = nys-1
955	copied = nys
956	ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN
957	ss = nyn+1
958	ee = nyng
959	copied = nyn
960	ENDIF
961
962	DO i = nxlg, nxrg
963	DO j = ss, ee
964	DO k = nzb+1, nzt
965	flag = MERGE( 1.0_wp, 0.0_wp, &
966	BTEST( wall_flags_0(k,j,i), 0 ) )
967	cs_3d(k,j,i) = cs_3d(k,copied,i) * flag
968	ENDDO
969	ENDDO
970	ENDDO
971
972	ELSE
973	WRITE(message_string,*) &
974	'unknown decycling method: decycle_method (', &
975	boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"'
976	CALL message( 'chem_boundary_conds_decycle', 'CM0432', &
977	1, 2, 0, 6, 0 )
978	ENDIF
979	ENDDO
980	ENDIF
981	END SUBROUTINE chem_boundary_conds_decycle
982	!
983	!------------------------------------------------------------------------------!
984	!
985	! Description:
986	! ------------
987	!> Subroutine for checking data output for chemical species
988	!------------------------------------------------------------------------------!
989
990	SUBROUTINE chem_check_data_output( var, unit, i, ilen, k )
991
992
993	USE control_parameters, &
994	ONLY: data_output, message_string
995
996	IMPLICIT NONE
997
998	CHARACTER (LEN=*) :: unit !<
999	CHARACTER (LEN=*) :: var !<
1000
1001	INTEGER(iwp) :: i
1002	INTEGER(iwp) :: lsp
1003	INTEGER(iwp) :: ilen
1004	INTEGER(iwp) :: k
1005
1006	CHARACTER(len=16) :: spec_name
1007
1008	unit = 'illegal'
1009
1010	spec_name = TRIM(var(4:)) !< var 1:3 is 'kc_' or 'em_'.
1011
1012	IF ( TRIM(var(1:3)) == 'em_' ) THEN
1013	DO lsp=1,nspec
1014	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN
1015	unit = 'mol m-2 s-1'
1016	ENDIF
1017	!
1018	!-- It is possible to plant PM10 and PM25 into the gasphase chemistry code
1019	!-- as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms):
1020	!-- set unit to micrograms per m**3 for PM10 and PM25 (PM2.5)
1021	IF (spec_name(1:2) == 'PM') THEN
1022	unit = 'kg m-2 s-1'
1023	ENDIF
1024	ENDDO
1025
1026	ELSE
1027
1028	DO lsp=1,nspec
1029	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN
1030	unit = 'ppm'
1031	ENDIF
1032	!
1033	!-- It is possible to plant PM10 and PM25 into the gasphase chemistry code
1034	!-- as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms):
1035	!-- set unit to kilograms per m**3 for PM10 and PM25 (PM2.5)
1036	IF (spec_name(1:2) == 'PM') THEN
1037	unit = 'kg m-3'
1038	ENDIF
1039	ENDDO
1040
1041	DO lsp=1,nphot
1042	IF (TRIM(spec_name) == TRIM(phot_frequen(lsp)%name)) THEN
1043	unit = 'sec-1'
1044	ENDIF
1045	ENDDO
1046	ENDIF
1047
1048
1049	RETURN
1050	END SUBROUTINE chem_check_data_output
1051	!
1052	!------------------------------------------------------------------------------!
1053	!
1054	! Description:
1055	! ------------
1056	!> Subroutine for checking data output of profiles for chemistry model
1057	!------------------------------------------------------------------------------!
1058
1059	SUBROUTINE chem_check_data_output_pr( variable, var_count, unit, dopr_unit )
1060
1061	USE arrays_3d
1062	USE control_parameters, &
1063	ONLY: air_chemistry, data_output_pr, message_string
1064	USE indices
1065	USE profil_parameter
1066	USE statistics
1067
1068
1069	IMPLICIT NONE
1070
1071	CHARACTER (LEN=*) :: unit !<
1072	CHARACTER (LEN=*) :: variable !<
1073	CHARACTER (LEN=*) :: dopr_unit
1074	CHARACTER(len=16) :: spec_name
1075
1076	INTEGER(iwp) :: var_count, lsp !<
1077
1078
1079	spec_name = TRIM(variable(4:))
1080
1081	IF ( .NOT. air_chemistry ) THEN
1082	message_string = 'data_output_pr = ' // &
1083	TRIM( data_output_pr(var_count) ) // ' is not imp' // &
1084	'lemented for air_chemistry = .FALSE.'
1085	CALL message( 'chem_check_parameters', 'CM0433', 1, 2, 0, 6, 0 )
1086
1087	ELSE
1088	DO lsp = 1, nspec
1089	IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) ) THEN
1090	cs_pr_count = cs_pr_count+1
1091	cs_pr_index(cs_pr_count) = lsp
1092	dopr_index(var_count) = pr_palm+cs_pr_count
1093	dopr_unit = 'ppm'
1094	IF (spec_name(1:2) == 'PM') THEN
1095	dopr_unit = 'kg m-3'
1096	ENDIF
1097	hom(:,2, dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 )
1098	unit = dopr_unit
1099	ENDIF
1100	ENDDO
1101	ENDIF
1102
1103	END SUBROUTINE chem_check_data_output_pr
1104
1105	!
1106	!------------------------------------------------------------------------------!
1107	! Description:
1108	! ------------
1109	!> Check parameters routine for chemistry_model_mod
1110	!------------------------------------------------------------------------------!
1111	SUBROUTINE chem_check_parameters
1112
1113	IMPLICIT NONE
1114
1115	LOGICAL :: found
1116	INTEGER (iwp) :: lsp_usr !< running index for user defined chem spcs
1117	INTEGER (iwp) :: lsp !< running index for chem spcs.
1118
1119
1120	!
1121	!-- check for chemical reactions status
1122	IF ( chem_gasphase_on ) THEN
1123	message_string = 'Chemical reactions: ON'
1124	CALL message( 'chem_check_parameters', 'CM0421', 0, 0, 0, 6, 0 )
1125	ELSEIF ( .not. (chem_gasphase_on) ) THEN
1126	message_string = 'Chemical reactions: OFF'
1127	CALL message( 'chem_check_parameters', 'CM0422', 0, 0, 0, 6, 0 )
1128	ENDIF
1129
1130	!-- check for chemistry time-step
1131	IF ( call_chem_at_all_substeps ) THEN
1132	message_string = 'Chemistry is calculated at all meteorology time-step'
1133	CALL message( 'chem_check_parameters', 'CM0423', 0, 0, 0, 6, 0 )
1134	ELSEIF ( .not. (call_chem_at_all_substeps) ) THEN
1135	message_string = 'Sub-time-steps are skipped for chemistry time-steps'
1136	CALL message( 'chem_check_parameters', 'CM0424', 0, 0, 0, 6, 0 )
1137	ENDIF
1138
1139	!-- check for photolysis scheme
1140	IF ( (photolysis_scheme /= 'simple') .AND. (photolysis_scheme /= 'constant') ) THEN
1141	message_string = 'Incorrect photolysis scheme selected, please check spelling'
1142	CALL message( 'chem_check_parameters', 'CM0425', 1, 2, 0, 6, 0 )
1143	ENDIF
1144
1145	!-- check for decycling of chem species
1146	IF ( (.not. any(decycle_method == 'neumann') ) .AND. (.not. any(decycle_method == 'dirichlet') ) ) THEN
1147	message_string = 'Incorrect boundary conditions. Only neumann or ' &
1148	// 'dirichlet &available for decycling chemical species '
1149	CALL message( 'chem_check_parameters', 'CM0426', 1, 2, 0, 6, 0 )
1150	ENDIF
1151
1152	!---------------------
1153	!-- chem_check_parameters is called before the array chem_species is allocated!
1154	!-- temporary switch of this part of the check
1155	RETURN
1156	!---------------------
1157
1158	!-- check for initial chem species input
1159	lsp_usr = 1
1160	lsp = 1
1161	DO WHILE ( cs_name (lsp_usr) /= 'novalue')
1162	found = .FALSE.
1163	DO lsp = 1, nvar
1164	IF ( TRIM(cs_name (lsp_usr)) == TRIM(chem_species(lsp)%name) ) THEN
1165	found = .TRUE.
1166	EXIT
1167	ENDIF
1168	ENDDO
1169	IF ( .not. found ) THEN
1170	message_string = 'Unused/incorrect input for initial surface value: ' // TRIM(cs_name(lsp_usr))
1171	CALL message( 'chem_check_parameters', 'CM0427', 0, 1, 0, 6, 0 )
1172	ENDIF
1173	lsp_usr = lsp_usr + 1
1174	ENDDO
1175
1176	!-- check for surface emission flux chem species
1177
1178	lsp_usr = 1
1179	lsp = 1
1180	DO WHILE ( surface_csflux_name (lsp_usr) /= 'novalue')
1181	found = .FALSE.
1182	DO lsp = 1, nvar
1183	IF ( TRIM(surface_csflux_name (lsp_usr)) == TRIM(chem_species(lsp)%name) ) THEN
1184	found = .TRUE.
1185	EXIT
1186	ENDIF
1187	ENDDO
1188	IF ( .not. found ) THEN
1189	message_string = 'Unused/incorrect input of chemical species for surface emission fluxes: ' &
1190	// TRIM(surface_csflux_name(lsp_usr))
1191	CALL message( 'chem_check_parameters', 'CM0428', 0, 1, 0, 6, 0 )
1192	ENDIF
1193	lsp_usr = lsp_usr + 1
1194	ENDDO
1195
1196	END SUBROUTINE chem_check_parameters
1197
1198	!
1199	!------------------------------------------------------------------------------!
1200	!
1201	! Description:
1202	! ------------
1203	!> Subroutine defining 2D output variables for chemical species
1204	!> @todo: Remove "mode" from argument list, not used.
1205	!------------------------------------------------------------------------------!
1206
1207	SUBROUTINE chem_data_output_2d( av, variable, found, grid, mode, local_pf, &
1208	two_d, nzb_do, nzt_do, fill_value )
1209
1210	USE indices
1211
1212	USE kinds
1213
1214	USE pegrid, &
1215	ONLY: myid, threads_per_task
1216
1217	IMPLICIT NONE
1218
1219	CHARACTER (LEN=*) :: grid !<
1220	CHARACTER (LEN=*) :: mode !<
1221	CHARACTER (LEN=*) :: variable !<
1222	INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data
1223	INTEGER(iwp) :: nzb_do !< lower limit of the domain (usually nzb)
1224	INTEGER(iwp) :: nzt_do !< upper limit of the domain (usually nzt+1)
1225	LOGICAL :: found !<
1226	LOGICAL :: two_d !< flag parameter that indicates 2D variables (horizontal cross sections)
1227	REAL(wp) :: fill_value
1228	REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb:nzt+1) :: local_pf
1229
1230	!
1231	!-- local variables.
1232	CHARACTER(len=16) :: spec_name
1233	INTEGER(iwp) :: lsp
1234	INTEGER(iwp) :: i !< grid index along x-direction
1235	INTEGER(iwp) :: j !< grid index along y-direction
1236	INTEGER(iwp) :: k !< grid index along z-direction
1237	INTEGER(iwp) :: m !< running index surface elements
1238	INTEGER(iwp) :: char_len !< length of a character string
1239	found = .FALSE.
1240	char_len = LEN_TRIM(variable)
1241
1242	spec_name = TRIM( variable(4:char_len-3) )
1243
1244	DO lsp=1,nspec
1245	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name) .AND. &
1246	( (variable(char_len-2:) == '_xy') .OR. &
1247	(variable(char_len-2:) == '_xz') .OR. &
1248	(variable(char_len-2:) == '_yz') ) ) THEN
1249	!
1250	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1251	! IF(myid == 0) WRITE(6,*) 'Output of species ' // TRIM(variable) // &
1252	! TRIM(chem_species(lsp)%name)
1253	IF (av == 0) THEN
1254	DO i = nxl, nxr
1255	DO j = nys, nyn
1256	DO k = nzb_do, nzt_do
1257	local_pf(i,j,k) = MERGE( &
1258	chem_species(lsp)%conc(k,j,i), &
1259	REAL( fill_value, KIND = wp ), &
1260	BTEST( wall_flags_0(k,j,i), 0 ) )
1261
1262
1263	ENDDO
1264	ENDDO
1265	ENDDO
1266
1267	ELSE
1268	DO i = nxl, nxr
1269	DO j = nys, nyn
1270	DO k = nzb_do, nzt_do
1271	local_pf(i,j,k) = MERGE( &
1272	chem_species(lsp)%conc_av(k,j,i), &
1273	REAL( fill_value, KIND = wp ), &
1274	BTEST( wall_flags_0(k,j,i), 0 ) )
1275	ENDDO
1276	ENDDO
1277	ENDDO
1278	ENDIF
1279	grid = 'zu'
1280	found = .TRUE.
1281	ENDIF
1282	ENDDO
1283
1284	RETURN
1285
1286	END SUBROUTINE chem_data_output_2d
1287
1288	!
1289	!------------------------------------------------------------------------------!
1290	!
1291	! Description:
1292	! ------------
1293	!> Subroutine defining 3D output variables for chemical species
1294	!------------------------------------------------------------------------------!
1295
1296	SUBROUTINE chem_data_output_3d( av, variable, found, local_pf, fill_value, nzb_do, nzt_do )
1297
1298
1299	USE indices
1300
1301	USE kinds
1302
1303	USE surface_mod
1304
1305
1306	IMPLICIT NONE
1307
1308	CHARACTER (LEN=*) :: variable !<
1309	INTEGER(iwp) :: av !<
1310	INTEGER(iwp) :: nzb_do !< lower limit of the data output (usually 0)
1311	INTEGER(iwp) :: nzt_do !< vertical upper limit of the data output (usually nz_do3d)
1312
1313	LOGICAL :: found !<
1314
1315	REAL(wp) :: fill_value !<
1316	REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf
1317
1318
1319	!-- local variables
1320	CHARACTER(len=16) :: spec_name
1321	INTEGER(iwp) :: i
1322	INTEGER(iwp) :: j
1323	INTEGER(iwp) :: k
1324	INTEGER(iwp) :: m !< running indices for surfaces
1325	INTEGER(iwp) :: l
1326	INTEGER(iwp) :: lsp !< running index for chem spcs
1327
1328
1329	found = .FALSE.
1330	IF ( .NOT. (variable(1:3) == 'kc_' .OR. variable(1:3) == 'em_' ) ) THEN
1331	RETURN
1332	ENDIF
1333
1334	spec_name = TRIM(variable(4:))
1335
1336	IF ( variable(1:3) == 'em_' ) THEN
1337
1338	local_pf = 0.0_wp
1339
1340	DO lsp = 1, nvar !!! cssws - nvar species, chem_species - nspec species !!!
1341	IF ( TRIM(spec_name) == TRIM(chem_species(lsp)%name) ) THEN
1342	!
1343	!-- no average for now
1344	DO m = 1, surf_usm_h%ns
1345	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),surf_usm_h%k(m)) = &
1346	local_pf(surf_usm_h%i(m),surf_usm_h%j(m),surf_usm_h%k(m)) + surf_usm_h%cssws(lsp,m)
1347	ENDDO
1348	DO m = 1, surf_lsm_h%ns
1349	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),surf_lsm_h%k(m)) = &
1350	local_pf(surf_lsm_h%i(m),surf_lsm_h%j(m),surf_lsm_h%k(m)) + surf_lsm_h%cssws(lsp,m)
1351	ENDDO
1352	DO l = 0, 3
1353	DO m = 1, surf_usm_v(l)%ns
1354	local_pf(surf_usm_v(l)%i(m),surf_usm_v(l)%j(m),surf_usm_v(l)%k(m)) = &
1355	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)
1356	ENDDO
1357	DO m = 1, surf_lsm_v(l)%ns
1358	local_pf(surf_lsm_v(l)%i(m),surf_lsm_v(l)%j(m),surf_lsm_v(l)%k(m)) = &
1359	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)
1360	ENDDO
1361	ENDDO
1362	found = .TRUE.
1363	ENDIF
1364	ENDDO
1365	ELSE
1366	DO lsp=1,nspec
1367	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN
1368	!
1369	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1370	! IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM(variable) // &
1371	! TRIM(chem_species(lsp)%name)
1372	IF (av == 0) THEN
1373	DO i = nxl, nxr
1374	DO j = nys, nyn
1375	DO k = nzb_do, nzt_do
1376	local_pf(i,j,k) = MERGE( &
1377	chem_species(lsp)%conc(k,j,i), &
1378	REAL( fill_value, KIND = wp ), &
1379	BTEST( wall_flags_0(k,j,i), 0 ) )
1380	ENDDO
1381	ENDDO
1382	ENDDO
1383
1384	ELSE
1385	DO i = nxl, nxr
1386	DO j = nys, nyn
1387	DO k = nzb_do, nzt_do
1388	local_pf(i,j,k) = MERGE( &
1389	chem_species(lsp)%conc_av(k,j,i),&
1390	REAL( fill_value, KIND = wp ), &
1391	BTEST( wall_flags_0(k,j,i), 0 ) )
1392	ENDDO
1393	ENDDO
1394	ENDDO
1395	ENDIF
1396	found = .TRUE.
1397	ENDIF
1398	ENDDO
1399	ENDIF
1400
1401	RETURN
1402
1403	END SUBROUTINE chem_data_output_3d
1404	!
1405	!------------------------------------------------------------------------------!
1406	!
1407	! Description:
1408	! ------------
1409	!> Subroutine defining mask output variables for chemical species
1410	!------------------------------------------------------------------------------!
1411
1412	SUBROUTINE chem_data_output_mask( av, variable, found, local_pf )
1413
1414	USE control_parameters
1415	USE indices
1416	USE kinds
1417	USE pegrid, &
1418	ONLY: myid, threads_per_task
1419	USE surface_mod, &
1420	ONLY: get_topography_top_index_ji
1421
1422	IMPLICIT NONE
1423
1424	CHARACTER(LEN=5) :: grid !< flag to distinquish between staggered grids
1425
1426	CHARACTER (LEN=*):: variable !<
1427	INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data
1428	LOGICAL :: found !<
1429	REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: &
1430	local_pf !<
1431
1432
1433	!-- local variables.
1434	CHARACTER(len=16) :: spec_name
1435	INTEGER(iwp) :: lsp
1436	INTEGER(iwp) :: i !< grid index along x-direction
1437	INTEGER(iwp) :: j !< grid index along y-direction
1438	INTEGER(iwp) :: k !< grid index along z-direction
1439	INTEGER(iwp) :: topo_top_ind !< k index of highest horizontal surface
1440
1441	found = .TRUE.
1442	grid = 's'
1443
1444	spec_name = TRIM( variable(4:) )
1445
1446	DO lsp=1,nspec
1447	IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name) ) THEN
1448	!
1449	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1450	! IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM(variable) // &
1451	! TRIM(chem_species(lsp)%name)
1452	IF (av == 0) THEN
1453	IF ( .NOT. mask_surface(mid) ) THEN
1454
1455	DO i = 1, mask_size_l(mid,1)
1456	DO j = 1, mask_size_l(mid,2)
1457	DO k = 1, mask_size(mid,3)
1458	local_pf(i,j,k) = chem_species(lsp)%conc( &
1459	mask_k(mid,k), &
1460	mask_j(mid,j), &
1461	mask_i(mid,i) )
1462	ENDDO
1463	ENDDO
1464	ENDDO
1465
1466	ELSE
1467	!
1468	!-- Terrain-following masked output
1469	DO i = 1, mask_size_l(mid,1)
1470	DO j = 1, mask_size_l(mid,2)
1471	!
1472	!-- Get k index of highest horizontal surface
1473	topo_top_ind = get_topography_top_index_ji( &
1474	mask_j(mid,j), &
1475	mask_i(mid,i), &
1476	grid )
1477	!
1478	!-- Save output array
1479	DO k = 1, mask_size_l(mid,3)
1480	local_pf(i,j,k) = chem_species(lsp)%conc( &
1481	MIN( topo_top_ind+mask_k(mid,k), &
1482	nzt+1 ), &
1483	mask_j(mid,j), &
1484	mask_i(mid,i) )
1485	ENDDO
1486	ENDDO
1487	ENDDO
1488
1489	ENDIF
1490	ELSE
1491	IF ( .NOT. mask_surface(mid) ) THEN
1492
1493	DO i = 1, mask_size_l(mid,1)
1494	DO j = 1, mask_size_l(mid,2)
1495	DO k = 1, mask_size_l(mid,3)
1496	local_pf(i,j,k) = chem_species(lsp)%conc_av( &
1497	mask_k(mid,k), &
1498	mask_j(mid,j), &
1499	mask_i(mid,i) )
1500	ENDDO
1501	ENDDO
1502	ENDDO
1503
1504	ELSE
1505	!
1506	!-- Terrain-following masked output
1507	DO i = 1, mask_size_l(mid,1)
1508	DO j = 1, mask_size_l(mid,2)
1509	!
1510	!-- Get k index of highest horizontal surface
1511	topo_top_ind = get_topography_top_index_ji( &
1512	mask_j(mid,j), &
1513	mask_i(mid,i), &
1514	grid )
1515	!
1516	!-- Save output array
1517	DO k = 1, mask_size_l(mid,3)
1518	local_pf(i,j,k) = chem_species(lsp)%conc_av( &
1519	MIN( topo_top_ind+mask_k(mid,k), &
1520	nzt+1 ), &
1521	mask_j(mid,j), &
1522	mask_i(mid,i) )
1523	ENDDO
1524	ENDDO
1525	ENDDO
1526
1527	ENDIF
1528
1529
1530	ENDIF
1531	found = .FALSE.
1532	ENDIF
1533	ENDDO
1534
1535	RETURN
1536
1537	END SUBROUTINE chem_data_output_mask
1538
1539	!
1540	!------------------------------------------------------------------------------!
1541	!
1542	! Description:
1543	! ------------
1544	!> Subroutine defining appropriate grid for netcdf variables.
1545	!> It is called out from subroutine netcdf.
1546	!------------------------------------------------------------------------------!
1547	SUBROUTINE chem_define_netcdf_grid( var, found, grid_x, grid_y, grid_z )
1548
1549	IMPLICIT NONE
1550
1551	CHARACTER (LEN=*), INTENT(IN) :: var !<
1552	LOGICAL, INTENT(OUT) :: found !<
1553	CHARACTER (LEN=*), INTENT(OUT) :: grid_x !<
1554	CHARACTER (LEN=*), INTENT(OUT) :: grid_y !<
1555	CHARACTER (LEN=*), INTENT(OUT) :: grid_z !<
1556
1557	found = .TRUE.
1558
1559	IF ( var(1:3) == 'kc_' .OR. var(1:3) == 'em_' ) THEN !< always the same grid for chemistry variables
1560	grid_x = 'x'
1561	grid_y = 'y'
1562	grid_z = 'zu'
1563	ELSE
1564	found = .FALSE.
1565	grid_x = 'none'
1566	grid_y = 'none'
1567	grid_z = 'none'
1568	ENDIF
1569
1570
1571	END SUBROUTINE chem_define_netcdf_grid
1572	!
1573	!------------------------------------------------------------------------------!
1574	!
1575	! Description:
1576	! ------------
1577	!> Subroutine defining header output for chemistry model
1578	!------------------------------------------------------------------------------!
1579	SUBROUTINE chem_header( io )
1580
1581	IMPLICIT NONE
1582
1583	INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file
1584	INTEGER(iwp) :: lsp !< running index for chem spcs
1585	INTEGER(iwp) :: cs_fixed
1586	CHARACTER (LEN=80) :: docsflux_chr
1587	CHARACTER (LEN=80) :: docsinit_chr
1588
1589	!
1590	!-- Write chemistry model header
1591	WRITE( io, 1 )
1592
1593	!-- Gasphase reaction status
1594	IF ( chem_gasphase_on ) THEN
1595	WRITE( io, 2 )
1596	ELSE
1597	WRITE( io, 3 )
1598	ENDIF
1599
1600	!
1601	!-- Chemistry time-step
1602	WRITE ( io, 4 ) cs_time_step
1603
1604	!-- Emission mode info
1605	IF ( mode_emis == "DEFAULT" ) THEN
1606	WRITE( io, 5 )
1607	ELSEIF ( mode_emis == "PARAMETERIZED" ) THEN
1608	WRITE( io, 6 )
1609	ELSEIF ( mode_emis == "PRE-PROCESSED" ) THEN
1610	WRITE( io, 7 )
1611	ENDIF
1612
1613	!-- Photolysis scheme info
1614	IF ( photolysis_scheme == "simple" ) THEN
1615	WRITE( io, 8 )
1616	ELSEIF (photolysis_scheme == "constant" ) THEN
1617	WRITE( io, 9 )
1618	ENDIF
1619
1620	!-- Emission flux info
1621	lsp = 1
1622	docsflux_chr ='Chemical species for surface emission flux: '
1623	DO WHILE ( surface_csflux_name(lsp) /= 'novalue' )
1624	docsflux_chr = TRIM( docsflux_chr ) // ' ' // TRIM( surface_csflux_name(lsp) ) // ','
1625	IF ( LEN_TRIM( docsflux_chr ) >= 75 ) THEN
1626	WRITE ( io, 10 ) docsflux_chr
1627	docsflux_chr = ' '
1628	ENDIF
1629	lsp = lsp + 1
1630	ENDDO
1631
1632	IF ( docsflux_chr /= '' ) THEN
1633	WRITE ( io, 10 ) docsflux_chr
1634	ENDIF
1635
1636
1637	!-- initializatoin of Surface and profile chemical species
1638
1639	lsp = 1
1640	docsinit_chr ='Chemical species for initial surface and profile emissions: '
1641	DO WHILE ( cs_name(lsp) /= 'novalue' )
1642	docsinit_chr = TRIM( docsinit_chr ) // ' ' // TRIM( cs_name(lsp) ) // ','
1643	IF ( LEN_TRIM( docsinit_chr ) >= 75 ) THEN
1644	WRITE ( io, 11 ) docsinit_chr
1645	docsinit_chr = ' '
1646	ENDIF
1647	lsp = lsp + 1
1648	ENDDO
1649
1650	IF ( docsinit_chr /= '' ) THEN
1651	WRITE ( io, 11 ) docsinit_chr
1652	ENDIF
1653
1654	!-- number of variable and fix chemical species and number of reactions
1655	cs_fixed = nspec - nvar
1656	WRITE ( io, * ) ' --> Chemical species, variable: ', nvar
1657	WRITE ( io, * ) ' --> Chemical species, fixed : ', cs_fixed
1658	WRITE ( io, * ) ' --> Total number of reactions : ', nreact
1659
1660
1661	1 FORMAT (//' Chemistry model information:'/ &
1662	' ----------------------------'/)
1663	2 FORMAT (' --> Chemical reactions are turned on')
1664	3 FORMAT (' --> Chemical reactions are turned off')
1665	4 FORMAT (' --> Time-step for chemical species: ',F6.2, ' s')
1666	5 FORMAT (' --> Emission mode = DEFAULT ')
1667	6 FORMAT (' --> Emission mode = PARAMETERIZED ')
1668	7 FORMAT (' --> Emission mode = PRE-PROCESSED ')
1669	8 FORMAT (' --> Photolysis scheme used = simple ')
1670	9 FORMAT (' --> Photolysis scheme used = constant ')
1671	10 FORMAT (/' ',A)
1672	11 FORMAT (/' ',A)
1673	!
1674	!
1675	END SUBROUTINE chem_header
1676
1677	!
1678	!------------------------------------------------------------------------------!
1679	!
1680	! Description:
1681	! ------------
1682	!> Subroutine initializating chemistry_model_mod
1683	!------------------------------------------------------------------------------!
1684	SUBROUTINE chem_init
1685
1686	USE control_parameters, &
1687	ONLY: message_string, io_blocks, io_group, turbulent_inflow
1688	USE arrays_3d, &
1689	ONLY: mean_inflow_profiles
1690	USE pegrid
1691
1692	IMPLICIT NONE
1693
1694	!
1695	!-- Local variables
1696	INTEGER(iwp) :: i !< running index for for horiz numerical grid points
1697	INTEGER(iwp) :: j !< running index for for horiz numerical grid points
1698	INTEGER(iwp) :: lsp !< running index for chem spcs
1699	INTEGER(iwp) :: lpr_lev !< running index for chem spcs profile level
1700
1701	!
1702	!-- Allocate memory for chemical species
1703	ALLOCATE( chem_species(nspec) )
1704	ALLOCATE( spec_conc_1 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1705	ALLOCATE( spec_conc_2 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1706	ALLOCATE( spec_conc_3 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1707	ALLOCATE( spec_conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) )
1708	ALLOCATE( phot_frequen(nphot) )
1709	ALLOCATE( freq_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nphot) )
1710	ALLOCATE( bc_cs_t_val(nspec) )
1711	!
1712	!-- Initialize arrays
1713	spec_conc_1 (:,:,:,:) = 0.0_wp
1714	spec_conc_2 (:,:,:,:) = 0.0_wp
1715	spec_conc_3 (:,:,:,:) = 0.0_wp
1716	spec_conc_av(:,:,:,:) = 0.0_wp
1717
1718
1719	DO lsp = 1, nspec
1720	chem_species(lsp)%name = spc_names(lsp)
1721
1722	chem_species(lsp)%conc (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1 (:,:,:,lsp)
1723	chem_species(lsp)%conc_p (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2 (:,:,:,lsp)
1724	chem_species(lsp)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_3 (:,:,:,lsp)
1725	chem_species(lsp)%conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_av(:,:,:,lsp)
1726
1727	ALLOCATE (chem_species(lsp)%cssws_av(nysg:nyng,nxlg:nxrg))
1728	chem_species(lsp)%cssws_av = 0.0_wp
1729	!
1730	!-- The following block can be useful when emission module is not applied. &
1731	!-- if emission module is applied the following block will be overwritten.
1732	ALLOCATE (chem_species(lsp)%flux_s_cs(nzb+1:nzt,0:threads_per_task-1))
1733	ALLOCATE (chem_species(lsp)%diss_s_cs(nzb+1:nzt,0:threads_per_task-1))
1734	ALLOCATE (chem_species(lsp)%flux_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1))
1735	ALLOCATE (chem_species(lsp)%diss_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1))
1736	chem_species(lsp)%flux_s_cs = 0.0_wp
1737	chem_species(lsp)%flux_l_cs = 0.0_wp
1738	chem_species(lsp)%diss_s_cs = 0.0_wp
1739	chem_species(lsp)%diss_l_cs = 0.0_wp
1740	!
1741	!-- Allocate memory for initial concentration profiles
1742	!-- (concentration values come from namelist)
1743	!-- (@todo (FK): Because of this, chem_init is called in palm before
1744	!-- check_parameters, since conc_pr_init is used there.
1745	!-- We have to find another solution since chem_init should
1746	!-- eventually be called from init_3d_model!!)
1747	ALLOCATE ( chem_species(lsp)%conc_pr_init(0:nz+1) )
1748	chem_species(lsp)%conc_pr_init(:) = 0.0_wp
1749
1750	ENDDO
1751
1752	!
1753	!-- Initial concentration of profiles is prescribed by parameters cs_profile
1754	!-- and cs_heights in the namelist &chemistry_parameters
1755	CALL chem_init_profiles
1756
1757
1758	!
1759	!-- Initialize model variables
1760
1761
1762	IF ( TRIM( initializing_actions ) /= 'read_restart_data' .AND. &
1763	TRIM( initializing_actions ) /= 'cyclic_fill' ) THEN
1764
1765
1766	!-- First model run of a possible job queue.
1767	!-- Initial profiles of the variables must be computed.
1768	IF ( INDEX( initializing_actions, 'set_1d-model_profiles' ) /= 0 ) THEN
1769	CALL location_message( 'initializing with 1D chemistry model profiles', .FALSE. )
1770	!
1771	!-- Transfer initial profiles to the arrays of the 3D model
1772	DO lsp = 1, nspec
1773	DO i = nxlg, nxrg
1774	DO j = nysg, nyng
1775	DO lpr_lev = 1, nz + 1
1776	chem_species(lsp)%conc(lpr_lev,j,i) = chem_species(lsp)%conc_pr_init(lpr_lev)
1777	ENDDO
1778	ENDDO
1779	ENDDO
1780	ENDDO
1781
1782	ELSEIF ( INDEX(initializing_actions, 'set_constant_profiles') /= 0 ) &
1783	THEN
1784	CALL location_message( 'initializing with constant chemistry profiles', .FALSE. )
1785
1786	DO lsp = 1, nspec
1787	DO i = nxlg, nxrg
1788	DO j = nysg, nyng
1789	chem_species(lsp)%conc(:,j,i) = chem_species(lsp)%conc_pr_init
1790	ENDDO
1791	ENDDO
1792	ENDDO
1793
1794	ENDIF
1795
1796	!
1797	!-- If required, change the surface chem spcs at the start of the 3D run
1798	IF ( cs_surface_initial_change(1) /= 0.0_wp ) THEN
1799	DO lsp = 1, nspec
1800	chem_species(lsp)%conc(nzb,:,:) = chem_species(lsp)%conc(nzb,:,:) + &
1801	cs_surface_initial_change(lsp)
1802	ENDDO
1803	ENDIF
1804	!
1805	!-- Initiale old and new time levels.
1806	DO lsp = 1, nvar
1807	chem_species(lsp)%tconc_m = 0.0_wp
1808	chem_species(lsp)%conc_p = chem_species(lsp)%conc
1809	ENDDO
1810
1811	ENDIF
1812
1813
1814
1815	!--- new code add above this line
1816	DO lsp = 1, nphot
1817	phot_frequen(lsp)%name = phot_names(lsp)
1818	!
1819	!-- todo: remove or replace by "CALL message" mechanism (kanani)
1820	! IF( myid == 0 ) THEN
1821	! WRITE(6,'(a,i4,3x,a)') 'Photolysis: ',lsp,TRIM(phot_names(lsp))
1822	! ENDIF
1823	phot_frequen(lsp)%freq(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => freq_1(:,:,:,lsp)
1824	ENDDO
1825
1826	RETURN
1827
1828	END SUBROUTINE chem_init
1829
1830	!
1831	!------------------------------------------------------------------------------!
1832	!
1833	! Description:
1834	! ------------
1835	!> Subroutine defining initial vertical profiles of chemical species (given by
1836	!> namelist parameters chem_profiles and chem_heights) --> which should work
1837	!> analogue to parameters u_profile, v_profile and uv_heights)
1838	!------------------------------------------------------------------------------!
1839	SUBROUTINE chem_init_profiles !< SUBROUTINE is called from chem_init in case of
1840	!< TRIM( initializing_actions ) /= 'read_restart_data'
1841	!< We still need to see what has to be done in case of restart run
1842	USE chem_modules
1843
1844	IMPLICIT NONE
1845
1846	!-- Local variables
1847	INTEGER :: lsp !< running index for number of species in derived data type species_def
1848	INTEGER :: lsp_usr !< running index for number of species (user defined) in cs_names, cs_profiles etc
1849	INTEGER :: lpr_lev !< running index for profile level for each chem spcs.
1850	INTEGER :: npr_lev !< the next available profile lev
1851
1852	!-----------------
1853	!-- Parameter "cs_profile" and "cs_heights" are used to prescribe user defined initial profiles
1854	!-- and heights. If parameter "cs_profile" is not prescribed then initial surface values
1855	!-- "cs_surface" are used as constant initial profiles for each species. If "cs_profile" and
1856	!-- "cs_heights" are prescribed, their values will!override the constant profile given by
1857	!-- "cs_surface".
1858	!
1859	IF ( TRIM( initializing_actions ) /= 'read_restart_data' ) THEN
1860	lsp_usr = 1
1861	DO WHILE ( TRIM( cs_name( lsp_usr ) ) /= 'novalue' ) !'novalue' is the default
1862	DO lsp = 1, nspec !
1863	!-- create initial profile (conc_pr_init) for each chemical species
1864	IF ( TRIM( chem_species(lsp)%name ) == TRIM( cs_name(lsp_usr) ) ) THEN !
1865	IF ( cs_profile(lsp_usr,1) == 9999999.9_wp ) THEN
1866	!-- set a vertically constant profile based on the surface conc (cs_surface(lsp_usr)) of each species
1867	DO lpr_lev = 0, nzt+1
1868	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_surface(lsp_usr)
1869	ENDDO
1870	ELSE
1871	IF ( cs_heights(1,1) /= 0.0_wp ) THEN
1872	message_string = 'The surface value of cs_heights must be 0.0'
1873	CALL message( 'chem_check_parameters', 'CM0434', 1, 2, 0, 6, 0 )
1874	ENDIF
1875
1876	use_prescribed_profile_data = .TRUE.
1877
1878	npr_lev = 1
1879	! chem_species(lsp)%conc_pr_init(0) = 0.0_wp
1880	DO lpr_lev = 1, nz+1
1881	IF ( npr_lev < 100 ) THEN
1882	DO WHILE ( cs_heights(lsp_usr, npr_lev+1) <= zu(lpr_lev) )
1883	npr_lev = npr_lev + 1
1884	IF ( npr_lev == 100 ) THEN
1885	message_string = 'number of chem spcs exceeding the limit'
1886	CALL message( 'chem_check_parameters', 'CM0435', 1, 2, 0, 6, 0 )
1887	EXIT
1888	ENDIF
1889	ENDDO
1890	ENDIF
1891	IF ( npr_lev < 100 .AND. cs_heights(lsp_usr, npr_lev + 1) /= 9999999.9_wp ) THEN
1892	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev) + &
1893	( zu(lpr_lev) - cs_heights(lsp_usr, npr_lev) ) / &
1894	( cs_heights(lsp_usr, (npr_lev + 1)) - cs_heights(lsp_usr, npr_lev ) ) * &
1895	( cs_profile(lsp_usr, (npr_lev + 1)) - cs_profile(lsp_usr, npr_lev ) )
1896	ELSE
1897	chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev)
1898	ENDIF
1899	ENDDO
1900	ENDIF
1901	!-- If a profile is prescribed explicity using cs_profiles and cs_heights, then
1902	!-- chem_species(lsp)%conc_pr_init is populated with the specific "lsp" based
1903	!-- on the cs_profiles(lsp_usr,:) and cs_heights(lsp_usr,:).
1904	ENDIF
1905	ENDDO
1906	lsp_usr = lsp_usr + 1
1907	ENDDO
1908	ENDIF
1909
1910	END SUBROUTINE chem_init_profiles
1911	!
1912	!------------------------------------------------------------------------------!
1913	!
1914	! Description:
1915	! ------------
1916	!> Subroutine to integrate chemical species in the given chemical mechanism
1917	!------------------------------------------------------------------------------!
1918
1919	SUBROUTINE chem_integrate_ij( i, j )
1920
1921	USE cpulog, &
1922	ONLY: cpu_log, log_point
1923	USE statistics, &
1924	ONLY: weight_pres
1925	USE control_parameters, &
1926	ONLY: dt_3d, intermediate_timestep_count, simulated_time
1927
1928	IMPLICIT NONE
1929	INTEGER,INTENT(IN) :: i
1930	INTEGER,INTENT(IN) :: j
1931
1932	!-- local variables
1933	INTEGER(iwp) :: lsp !< running index for chem spcs.
1934	INTEGER(iwp) :: lph !< running index for photolysis frequencies
1935	INTEGER :: k
1936	INTEGER :: m
1937	INTEGER :: istatf
1938	INTEGER, DIMENSION(20) :: istatus
1939	REAL(kind=wp), DIMENSION(nzb+1:nzt,nspec) :: tmp_conc
1940	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_temp
1941	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_qvap
1942	REAL(kind=wp), DIMENSION(nzb+1:nzt,nphot) :: tmp_phot
1943	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_fact
1944	REAL(kind=wp), DIMENSION(nzb+1:nzt) :: tmp_fact_i !< conversion factor between
1945	!< molecules cm^{-3} and ppm
1946
1947	INTEGER,DIMENSION(nzb+1:nzt) :: nacc !< Number of accepted steps
1948	INTEGER,DIMENSION(nzb+1:nzt) :: nrej !< Number of rejected steps
1949
1950	REAL(wp) :: conv !< conversion factor
1951	REAL(wp), PARAMETER :: ppm2fr = 1.0e-6_wp !< Conversion factor ppm to fraction
1952	REAL(wp), PARAMETER :: fr2ppm = 1.0e6_wp !< Conversion factor fraction to ppm
1953	! REAL(wp), PARAMETER :: xm_air = 28.96_wp !< Mole mass of dry air
1954	! REAL(wp), PARAMETER :: xm_h2o = 18.01528_wp !< Mole mass of water vapor
1955	REAL(wp), PARAMETER :: pref_i = 1._wp / 100000.0_wp !< inverse reference pressure (1/Pa)
1956	REAL(wp), PARAMETER :: t_std = 273.15_wp !< standard pressure (Pa)
1957	REAL(wp), PARAMETER :: p_std = 101325.0_wp !< standard pressure (Pa)
1958	REAL(wp), PARAMETER :: vmolcm = 22.414e3_wp !< Mole volume (22.414 l) in cm^{-3}
1959	REAL(wp), PARAMETER :: xna = 6.022e23_wp !< Avogadro number (molecules/mol)
1960
1961	REAL(wp),DIMENSION(size(rcntrl)) :: rcntrl_local
1962
1963
1964	REAL(kind=wp) :: dt_chem
1965
1966	CALL cpu_log( log_point(80), '[chem_integrate_ij]', 'start' )
1967	!< set chem_gasphase_on to .FALSE. if you want to skip computation of gas phase chemistry
1968	IF (chem_gasphase_on) THEN
1969	nacc = 0
1970	nrej = 0
1971
1972	tmp_temp(:) = pt(nzb+1:nzt,j,i) * exner(nzb+1:nzt)
1973	!
1974	!-- ppm to molecules/cm**3
1975	!-- tmp_fact = 1.e-6_wp6.022e23_wp/(22.414_wp1000._wp) * 273.15_wp * hyp(nzb+1:nzt)/( 101300.0_wp * tmp_temp )
1976	conv = ppm2fr * xna / vmolcm
1977	tmp_fact(:) = conv * t_std * hyp(nzb+1:nzt) / (tmp_temp(:) * p_std)
1978	tmp_fact_i = 1.0_wp/tmp_fact
1979
1980	IF ( humidity ) THEN
1981	IF ( bulk_cloud_model ) THEN
1982	tmp_qvap(:) = ( q(nzb+1:nzt,j,i) - ql(nzb+1:nzt,j,i) ) * &
1983	xm_air/xm_h2o * fr2ppm * tmp_fact(:)
1984	ELSE
1985	tmp_qvap(:) = q(nzb+1:nzt,j,i) * xm_air/xm_h2o * fr2ppm * tmp_fact(:)
1986	ENDIF
1987	ELSE
1988	tmp_qvap(:) = 0.01 * xm_air/xm_h2o * fr2ppm * tmp_fact(:) !< Constant value for q if water vapor is not computed
1989	ENDIF
1990
1991	DO lsp = 1,nspec
1992	tmp_conc(:,lsp) = chem_species(lsp)%conc(nzb+1:nzt,j,i) * tmp_fact(:)
1993	ENDDO
1994
1995	DO lph = 1,nphot
1996	tmp_phot(:,lph) = phot_frequen(lph)%freq(nzb+1:nzt,j,i)
1997	ENDDO
1998	!
1999	!-- todo: remove (kanani)
2000	! IF(myid == 0 .AND. chem_debug0 ) THEN
2001	! IF (i == 10 .AND. j == 10) WRITE(0,*) 'begin chemics step ',dt_3d
2002	! ENDIF
2003
2004	!-- Compute length of time step
2005	IF ( call_chem_at_all_substeps ) THEN
2006	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
2007	ELSE
2008	dt_chem = dt_3d
2009	ENDIF
2010
2011	cs_time_step = dt_chem
2012
2013	CALL cpu_log( log_point(81), '{chem_gasphase_integrate}', 'start' )
2014
2015	IF(maxval(rcntrl) > 0.0) THEN ! Only if rcntrl is set
2016	IF( simulated_time <= 2*dt_3d) THEN
2017	rcntrl_local = 0
2018	!
2019	!-- todo: remove (kanani)
2020	! WRITE(9,'(a,2f10.3)') 'USE Default rcntrl in the first steps ',simulated_time,dt_3d
2021	ELSE
2022	rcntrl_local = rcntrl
2023	ENDIF
2024	ELSE
2025	rcntrl_local = 0
2026	END IF
2027
2028	CALL chem_gasphase_integrate ( dt_chem, tmp_conc, tmp_temp, tmp_qvap, tmp_fact, tmp_phot, &
2029	icntrl_i = icntrl, rcntrl_i = rcntrl_local, xnacc = nacc, xnrej = nrej, istatus=istatus )
2030
2031	CALL cpu_log( log_point(81), '{chem_gasphase_integrate}', 'stop' )
2032
2033	DO lsp = 1,nspec
2034	chem_species(lsp)%conc (nzb+1:nzt,j,i) = tmp_conc(:,lsp) * tmp_fact_i(:)
2035	ENDDO
2036
2037
2038	ENDIF
2039	CALL cpu_log( log_point(80), '[chem_integrate_ij]', 'stop' )
2040
2041	RETURN
2042	END SUBROUTINE chem_integrate_ij
2043	!
2044	!------------------------------------------------------------------------------!
2045	!
2046	! Description:
2047	! ------------
2048	!> Subroutine defining parin for &chemistry_parameters for chemistry model
2049	!------------------------------------------------------------------------------!
2050	SUBROUTINE chem_parin
2051
2052	USE chem_modules
2053	USE control_parameters
2054
2055	USE kinds
2056	USE pegrid
2057	USE statistics
2058
2059	IMPLICIT NONE
2060
2061	CHARACTER (LEN=80) :: line !< dummy string that contains the current line of the parameter file
2062	CHARACTER (LEN=3) :: cs_prefix
2063
2064	REAL(wp), DIMENSION(nmaxfixsteps) :: my_steps !< List of fixed timesteps my_step(1) = 0.0 automatic stepping
2065	INTEGER(iwp) :: i !<
2066	INTEGER(iwp) :: j !<
2067	INTEGER(iwp) :: max_pr_cs_tmp !<
2068
2069
2070	NAMELIST /chemistry_parameters/ bc_cs_b, &
2071	bc_cs_t, &
2072	call_chem_at_all_substeps, &
2073	chem_debug0, &
2074	chem_debug1, &
2075	chem_debug2, &
2076	chem_gasphase_on, &
2077	cs_heights, &
2078	cs_name, &
2079	cs_profile, &
2080	cs_surface, &
2081	decycle_chem_lr, &
2082	decycle_chem_ns, &
2083	decycle_method, &
2084	do_depo, &
2085	emiss_factor_main, &
2086	emiss_factor_side, &
2087	icntrl, &
2088	main_street_id, &
2089	max_street_id, &
2090	my_steps, &
2091	nest_chemistry, &
2092	rcntrl, &
2093	side_street_id, &
2094	photolysis_scheme, &
2095	wall_csflux, &
2096	cs_vertical_gradient, &
2097	top_csflux, &
2098	surface_csflux, &
2099	surface_csflux_name, &
2100	cs_surface_initial_change, &
2101	cs_vertical_gradient_level, &
2102	! namelist parameters for emissions
2103	mode_emis, &
2104	time_fac_type, &
2105	daytype_mdh, &
2106	do_emis
2107
2108	!-- analogue to chem_names(nspj) we could invent chem_surfaceflux(nspj) and chem_topflux(nspj)
2109	!-- so this way we could prescribe a specific flux value for each species
2110	!> chemistry_parameters for initial profiles
2111	!> cs_names = 'O3', 'NO2', 'NO', ... to set initial profiles)
2112	!> cs_heights(1,:) = 0.0, 100.0, 500.0, 2000.0, .... (height levels where concs will be prescribed for O3)
2113	!> cs_heights(2,:) = 0.0, 200.0, 400.0, 1000.0, .... (same for NO2 etc.)
2114	!> cs_profiles(1,:) = 10.0, 20.0, 20.0, 30.0, ..... (chem spcs conc at height lvls chem_heights(1,:)) etc.
2115	!> If the respective concentration profile should be constant with height, then use "cs_surface( number of spcs)"
2116	!> then write these cs_surface values to chem_species(lsp)%conc_pr_init(:)
2117
2118	!
2119	!-- Read chem namelist
2120
2121	INTEGER :: ier
2122	CHARACTER(LEN=64) :: text
2123	CHARACTER(LEN=8) :: solver_type
2124
2125	icntrl = 0
2126	rcntrl = 0.0_wp
2127	my_steps = 0.0_wp
2128	photolysis_scheme = 'simple'
2129	atol = 1.0_wp
2130	rtol = 0.01_wp
2131	!
2132	!-- Try to find chemistry package
2133	REWIND ( 11 )
2134	line = ' '
2135	DO WHILE ( INDEX( line, '&chemistry_parameters' ) == 0 )
2136	READ ( 11, '(A)', END=20 ) line
2137	ENDDO
2138	BACKSPACE ( 11 )
2139	!
2140	!-- Read chemistry namelist
2141	READ ( 11, chemistry_parameters, ERR = 10, END = 20 )
2142	!
2143	!-- Enable chemistry model
2144	air_chemistry = .TRUE.
2145	GOTO 20
2146
2147	10 BACKSPACE( 11 )
2148	READ( 11 , '(A)') line
2149	CALL parin_fail_message( 'chemistry_parameters', line )
2150
2151	20 CONTINUE
2152
2153	!
2154	!-- check for emission mode for chem species
2155	IF ( (mode_emis /= 'PARAMETERIZED') .AND. ( mode_emis /= 'DEFAULT' ) .AND. ( mode_emis /= 'PRE-PROCESSED' ) ) THEN
2156	message_string = 'Incorrect mode_emiss option select. Please check spelling'
2157	CALL message( 'chem_check_parameters', 'CM0436', 1, 2, 0, 6, 0 )
2158	ENDIF
2159
2160	t_steps = my_steps
2161
2162	!-- Determine the number of user-defined profiles and append them to the
2163	!-- standard data output (data_output_pr)
2164	max_pr_cs_tmp = 0
2165	i = 1
2166
2167	DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 )
2168	IF ( TRIM( data_output_pr(i)(1:3)) == 'kc_' ) THEN
2169	max_pr_cs_tmp = max_pr_cs_tmp+1
2170	ENDIF
2171	i = i +1
2172	ENDDO
2173
2174	IF ( max_pr_cs_tmp > 0 ) THEN
2175	cs_pr_namelist_found = .TRUE.
2176	max_pr_cs = max_pr_cs_tmp
2177	ENDIF
2178
2179	! Set Solver Type
2180	IF(icntrl(3) == 0) THEN
2181	solver_type = 'rodas3' !Default
2182	ELSE IF(icntrl(3) == 1) THEN
2183	solver_type = 'ros2'
2184	ELSE IF(icntrl(3) == 2) THEN
2185	solver_type = 'ros3'
2186	ELSE IF(icntrl(3) == 3) THEN
2187	solver_type = 'ro4'
2188	ELSE IF(icntrl(3) == 4) THEN
2189	solver_type = 'rodas3'
2190	ELSE IF(icntrl(3) == 5) THEN
2191	solver_type = 'rodas4'
2192	ELSE IF(icntrl(3) == 6) THEN
2193	solver_type = 'Rang3'
2194	ELSE
2195	message_string = 'illegal solver type'
2196	CALL message( 'chem_parin', 'PA0506', 1, 2, 0, 6, 0 )
2197	END IF
2198
2199	!
2200	!-- todo: remove or replace by "CALL message" mechanism (kanani)
2201	! write(text,*) 'gas_phase chemistry: solver_type = ',TRIM(solver_type)
2202	!kk Has to be changed to right calling sequence
2203	!kk CALL location_message( TRIM(text), .FALSE. )
2204	! IF(myid == 0) THEN
2205	! write(9,*) ' '
2206	! write(9,*) 'kpp setup '
2207	! write(9,*) ' '
2208	! write(9,*) ' gas_phase chemistry: solver_type = ',TRIM(solver_type)
2209	! write(9,*) ' '
2210	! write(9,*) ' Hstart = ',rcntrl(3)
2211	! write(9,*) ' FacMin = ',rcntrl(4)
2212	! write(9,*) ' FacMax = ',rcntrl(5)
2213	! write(9,*) ' '
2214	! IF(vl_dim > 1) THEN
2215	! write(9,*) ' Vector mode vektor length = ',vl_dim
2216	! ELSE
2217	! write(9,*) ' Scalar mode'
2218	! ENDIF
2219	! write(9,*) ' '
2220	! END IF
2221
2222	RETURN
2223
2224	END SUBROUTINE chem_parin
2225
2226	!
2227	!------------------------------------------------------------------------------!
2228	!
2229	! Description:
2230	! ------------
2231	!> Subroutine calculating prognostic equations for chemical species
2232	!> (vector-optimized).
2233	!> Routine is called separately for each chemical species over a loop from
2234	!> prognostic_equations.
2235	!------------------------------------------------------------------------------!
2236	SUBROUTINE chem_prognostic_equations( cs_scalar_p, cs_scalar, tcs_scalar_m, &
2237	pr_init_cs, ilsp )
2238
2239	USE advec_s_pw_mod, &
2240	ONLY: advec_s_pw
2241	USE advec_s_up_mod, &
2242	ONLY: advec_s_up
2243	USE advec_ws, &
2244	ONLY: advec_s_ws
2245	USE diffusion_s_mod, &
2246	ONLY: diffusion_s
2247	USE indices, &
2248	ONLY: nxl, nxr, nyn, nys, wall_flags_0
2249	USE pegrid
2250	USE surface_mod, &
2251	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, &
2252	surf_usm_v
2253
2254	IMPLICIT NONE
2255
2256	INTEGER :: i !< running index
2257	INTEGER :: j !< running index
2258	INTEGER :: k !< running index
2259
2260	INTEGER(iwp),INTENT(IN) :: ilsp !<
2261
2262	REAL(wp), DIMENSION(0:nz+1) :: pr_init_cs !<
2263
2264	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar !<
2265	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar_p !<
2266	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_scalar_m !<
2267
2268
2269	!
2270	!-- Tendency terms for chemical species
2271	tend = 0.0_wp
2272	!
2273	!-- Advection terms
2274	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2275	IF ( ws_scheme_sca ) THEN
2276	CALL advec_s_ws( cs_scalar, 'kc' )
2277	ELSE
2278	CALL advec_s_pw( cs_scalar )
2279	ENDIF
2280	ELSE
2281	CALL advec_s_up( cs_scalar )
2282	ENDIF
2283	!
2284	!-- Diffusion terms (the last three arguments are zero)
2285	CALL diffusion_s( cs_scalar, &
2286	surf_def_h(0)%cssws(ilsp,:), &
2287	surf_def_h(1)%cssws(ilsp,:), &
2288	surf_def_h(2)%cssws(ilsp,:), &
2289	surf_lsm_h%cssws(ilsp,:), &
2290	surf_usm_h%cssws(ilsp,:), &
2291	surf_def_v(0)%cssws(ilsp,:), &
2292	surf_def_v(1)%cssws(ilsp,:), &
2293	surf_def_v(2)%cssws(ilsp,:), &
2294	surf_def_v(3)%cssws(ilsp,:), &
2295	surf_lsm_v(0)%cssws(ilsp,:), &
2296	surf_lsm_v(1)%cssws(ilsp,:), &
2297	surf_lsm_v(2)%cssws(ilsp,:), &
2298	surf_lsm_v(3)%cssws(ilsp,:), &
2299	surf_usm_v(0)%cssws(ilsp,:), &
2300	surf_usm_v(1)%cssws(ilsp,:), &
2301	surf_usm_v(2)%cssws(ilsp,:), &
2302	surf_usm_v(3)%cssws(ilsp,:) )
2303	!
2304	!-- Prognostic equation for chemical species
2305	DO i = nxl, nxr
2306	DO j = nys, nyn
2307	DO k = nzb+1, nzt
2308	cs_scalar_p(k,j,i) = cs_scalar(k,j,i) &
2309	+ ( dt_3d * &
2310	( tsc(2) * tend(k,j,i) &
2311	+ tsc(3) * tcs_scalar_m(k,j,i) &
2312	) &
2313	- tsc(5) * rdf_sc(k) &
2314	* ( cs_scalar(k,j,i) - pr_init_cs(k) ) &
2315	) &
2316	* MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) )
2317
2318	IF ( cs_scalar_p(k,j,i) < 0.0_wp ) cs_scalar_p(k,j,i) = 0.1_wp * cs_scalar(k,j,i)
2319	ENDDO
2320	ENDDO
2321	ENDDO
2322	!
2323	!-- Calculate tendencies for the next Runge-Kutta step
2324	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2325	IF ( intermediate_timestep_count == 1 ) THEN
2326	DO i = nxl, nxr
2327	DO j = nys, nyn
2328	DO k = nzb+1, nzt
2329	tcs_scalar_m(k,j,i) = tend(k,j,i)
2330	ENDDO
2331	ENDDO
2332	ENDDO
2333	ELSEIF ( intermediate_timestep_count < &
2334	intermediate_timestep_count_max ) THEN
2335	DO i = nxl, nxr
2336	DO j = nys, nyn
2337	DO k = nzb+1, nzt
2338	tcs_scalar_m(k,j,i) = - 9.5625_wp * tend(k,j,i) &
2339	+ 5.3125_wp * tcs_scalar_m(k,j,i)
2340	ENDDO
2341	ENDDO
2342	ENDDO
2343	ENDIF
2344	ENDIF
2345
2346	END SUBROUTINE chem_prognostic_equations
2347
2348	!------------------------------------------------------------------------------!
2349	!
2350	! Description:
2351	! ------------
2352	!> Subroutine calculating prognostic equations for chemical species
2353	!> (cache-optimized).
2354	!> Routine is called separately for each chemical species over a loop from
2355	!> prognostic_equations.
2356	!------------------------------------------------------------------------------!
2357	SUBROUTINE chem_prognostic_equations_ij( cs_scalar_p, cs_scalar, tcs_scalar_m, pr_init_cs, &
2358	i, j, i_omp_start, tn, ilsp, flux_s_cs, diss_s_cs, &
2359	flux_l_cs, diss_l_cs )
2360	USE pegrid
2361	USE advec_ws, &
2362	ONLY: advec_s_ws
2363	USE advec_s_pw_mod, &
2364	ONLY: advec_s_pw
2365	USE advec_s_up_mod, &
2366	ONLY: advec_s_up
2367	USE diffusion_s_mod, &
2368	ONLY: diffusion_s
2369	USE indices, &
2370	ONLY: wall_flags_0
2371	USE surface_mod, &
2372	ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, surf_usm_v
2373
2374
2375	IMPLICIT NONE
2376
2377	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar_p, cs_scalar, tcs_scalar_m
2378
2379	INTEGER(iwp),INTENT(IN) :: i, j, i_omp_start, tn, ilsp
2380	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s_cs !<
2381	REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s_cs !<
2382	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l_cs !<
2383	REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l_cs !<
2384	REAL(wp), DIMENSION(0:nz+1) :: pr_init_cs !<
2385
2386	!
2387	!-- local variables
2388
2389	INTEGER :: k
2390	!
2391	!-- Tendency-terms for chem spcs.
2392	tend(:,j,i) = 0.0_wp
2393	!
2394	!-- Advection terms
2395	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2396	IF ( ws_scheme_sca ) THEN
2397	CALL advec_s_ws( i, j, cs_scalar, 'kc', flux_s_cs, diss_s_cs, &
2398	flux_l_cs, diss_l_cs, i_omp_start, tn )
2399	ELSE
2400	CALL advec_s_pw( i, j, cs_scalar )
2401	ENDIF
2402	ELSE
2403	CALL advec_s_up( i, j, cs_scalar )
2404	ENDIF
2405
2406	!
2407
2408	!-- Diffusion terms (the last three arguments are zero)
2409
2410	CALL diffusion_s( i, j, cs_scalar, &
2411	surf_def_h(0)%cssws(ilsp,:), surf_def_h(1)%cssws(ilsp,:), &
2412	surf_def_h(2)%cssws(ilsp,:), &
2413	surf_lsm_h%cssws(ilsp,:), surf_usm_h%cssws(ilsp,:), &
2414	surf_def_v(0)%cssws(ilsp,:), surf_def_v(1)%cssws(ilsp,:), &
2415	surf_def_v(2)%cssws(ilsp,:), surf_def_v(3)%cssws(ilsp,:), &
2416	surf_lsm_v(0)%cssws(ilsp,:), surf_lsm_v(1)%cssws(ilsp,:), &
2417	surf_lsm_v(2)%cssws(ilsp,:), surf_lsm_v(3)%cssws(ilsp,:), &
2418	surf_usm_v(0)%cssws(ilsp,:), surf_usm_v(1)%cssws(ilsp,:), &
2419	surf_usm_v(2)%cssws(ilsp,:), surf_usm_v(3)%cssws(ilsp,:) )
2420
2421	!
2422	!-- Prognostic equation for chem spcs
2423	DO k = nzb+1, nzt
2424	cs_scalar_p(k,j,i) = cs_scalar(k,j,i) + ( dt_3d * &
2425	( tsc(2) * tend(k,j,i) + &
2426	tsc(3) * tcs_scalar_m(k,j,i) ) &
2427	- tsc(5) * rdf_sc(k) &
2428	* ( cs_scalar(k,j,i) - pr_init_cs(k) ) &
2429	) &
2430	* MERGE( 1.0_wp, 0.0_wp, &
2431	BTEST( wall_flags_0(k,j,i), 0 ) &
2432	)
2433
2434	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
2435	ENDDO
2436
2437	!
2438	!-- Calculate tendencies for the next Runge-Kutta step
2439	IF ( timestep_scheme(1:5) == 'runge' ) THEN
2440	IF ( intermediate_timestep_count == 1 ) THEN
2441	DO k = nzb+1, nzt
2442	tcs_scalar_m(k,j,i) = tend(k,j,i)
2443	ENDDO
2444	ELSEIF ( intermediate_timestep_count < &
2445	intermediate_timestep_count_max ) THEN
2446	DO k = nzb+1, nzt
2447	tcs_scalar_m(k,j,i) = -9.5625_wp * tend(k,j,i) + &
2448	5.3125_wp * tcs_scalar_m(k,j,i)
2449	ENDDO
2450	ENDIF
2451	ENDIF
2452
2453	END SUBROUTINE chem_prognostic_equations_ij
2454
2455	!
2456	!------------------------------------------------------------------------------!
2457	!
2458	! Description:
2459	! ------------
2460	!> Subroutine to read restart data of chemical species
2461	!------------------------------------------------------------------------------!
2462
2463	SUBROUTINE chem_rrd_local( i, k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, &
2464	nxr_on_file, nynf, nync, nyn_on_file, nysf, nysc, &
2465	nys_on_file, tmp_3d, found )
2466
2467	USE control_parameters
2468
2469	USE indices
2470
2471	USE pegrid
2472
2473	IMPLICIT NONE
2474
2475	CHARACTER (LEN=20) :: spc_name_av !<
2476
2477	INTEGER(iwp) :: i, lsp !<
2478	INTEGER(iwp) :: k !<
2479	INTEGER(iwp) :: nxlc !<
2480	INTEGER(iwp) :: nxlf !<
2481	INTEGER(iwp) :: nxl_on_file !<
2482	INTEGER(iwp) :: nxrc !<
2483	INTEGER(iwp) :: nxrf !<
2484	INTEGER(iwp) :: nxr_on_file !<
2485	INTEGER(iwp) :: nync !<
2486	INTEGER(iwp) :: nynf !<
2487	INTEGER(iwp) :: nyn_on_file !<
2488	INTEGER(iwp) :: nysc !<
2489	INTEGER(iwp) :: nysf !<
2490	INTEGER(iwp) :: nys_on_file !<
2491
2492	LOGICAL, INTENT(OUT) :: found
2493
2494	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
2495
2496
2497	found = .FALSE.
2498
2499
2500	IF ( ALLOCATED(chem_species) ) THEN
2501
2502	DO lsp = 1, nspec
2503
2504	!< for time-averaged chemical conc.
2505	spc_name_av = TRIM(chem_species(lsp)%name)//'_av'
2506
2507	IF ( restart_string(1:length) == TRIM(chem_species(lsp)%name) ) &
2508	THEN
2509	!< read data into tmp_3d
2510	IF ( k == 1 ) READ ( 13 ) tmp_3d
2511	!< fill ..%conc in the restart run
2512	chem_species(lsp)%conc(:,nysc-nbgp:nync+nbgp, &
2513	nxlc-nbgp:nxrc+nbgp) = &
2514	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2515	found = .TRUE.
2516	ELSEIF (restart_string(1:length) == spc_name_av ) THEN
2517	IF ( k == 1 ) READ ( 13 ) tmp_3d
2518	chem_species(lsp)%conc_av(:,nysc-nbgp:nync+nbgp, &
2519	nxlc-nbgp:nxrc+nbgp) = &
2520	tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp)
2521	found = .TRUE.
2522	ENDIF
2523
2524	ENDDO
2525
2526	ENDIF
2527
2528
2529	END SUBROUTINE chem_rrd_local
2530	!
2531	!-------------------------------------------------------------------------------!
2532	!> Description:
2533	!> Calculation of horizontally averaged profiles
2534	!> This routine is called for every statistic region (sr) defined by the user,
2535	!> but at least for the region "total domain" (sr=0).
2536	!> quantities.
2537	!------------------------------------------------------------------------------!
2538	SUBROUTINE chem_statistics( mode, sr, tn )
2539
2540
2541	USE arrays_3d
2542	USE indices
2543	USE kinds
2544	USE pegrid
2545	USE statistics
2546
2547	USE user
2548
2549	IMPLICIT NONE
2550
2551	CHARACTER (LEN=*) :: mode !<
2552
2553	INTEGER(iwp) :: i !< running index on x-axis
2554	INTEGER(iwp) :: j !< running index on y-axis
2555	INTEGER(iwp) :: k !< vertical index counter
2556	INTEGER(iwp) :: sr !< statistical region
2557	INTEGER(iwp) :: tn !< thread number
2558	INTEGER(iwp) :: n !<
2559	INTEGER(iwp) :: m !<
2560	INTEGER(iwp) :: lpr !< running index chem spcs
2561	! REAL(wp), &
2562	! DIMENSION(dots_num_palm+1:dots_max) :: &
2563	! ts_value_l !<
2564
2565	IF ( mode == 'profiles' ) THEN
2566	!
2567	!-- Sample on how to calculate horizontally averaged profiles of user-
2568	!-- defined quantities. Each quantity is identified by the index
2569	!-- "pr_palm+#" where "#" is an integer starting from 1. These
2570	!-- user-profile-numbers must also be assigned to the respective strings
2571	!-- given by data_output_pr_cs in routine user_check_data_output_pr.
2572	!-- hom(:,:,:,:) = dim-1 = vertical level, dim-2= 1: met-species,2:zu/zw, dim-3 = quantity( e.g.
2573	! wpt), dim-4 = statistical region.
2574
2575	!$OMP DO
2576	DO i = nxl, nxr
2577	DO j = nys, nyn
2578	DO k = nzb, nzt+1
2579	DO lpr = 1, cs_pr_count
2580
2581	sums_l(k,pr_palm+max_pr_user+lpr,tn) = sums_l(k,pr_palm+max_pr_user+lpr,tn) + &
2582	chem_species(cs_pr_index(lpr))%conc(k,j,i) * &
2583	rmask(j,i,sr) * &
2584	MERGE( 1.0_wp, 0.0_wp, &
2585	BTEST( wall_flags_0(k,j,i), 22 ) )
2586	ENDDO
2587	ENDDO
2588	ENDDO
2589	ENDDO
2590	ELSEIF ( mode == 'time_series' ) THEN
2591	CALL location_message( 'Time series not calculated for chemistry', .TRUE. )
2592	ENDIF
2593
2594	END SUBROUTINE chem_statistics
2595
2596	!
2597	!------------------------------------------------------------------------------!
2598	!
2599	! Description:
2600	! ------------
2601	!> Subroutine for swapping of timelevels for chemical species
2602	!> called out from subroutine swap_timelevel
2603	!------------------------------------------------------------------------------!
2604
2605	SUBROUTINE chem_swap_timelevel( level )
2606
2607	IMPLICIT NONE
2608
2609	INTEGER(iwp), INTENT(IN) :: level
2610	!
2611	!-- local variables
2612	INTEGER(iwp) :: lsp
2613
2614
2615	IF ( level == 0 ) THEN
2616	DO lsp=1, nvar
2617	chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp)
2618	chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp)
2619	ENDDO
2620	ELSE
2621	DO lsp=1, nvar
2622	chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp)
2623	chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp)
2624	ENDDO
2625	ENDIF
2626
2627	RETURN
2628	END SUBROUTINE chem_swap_timelevel
2629	!
2630	!------------------------------------------------------------------------------!
2631	!
2632	! Description:
2633	! ------------
2634	!> Subroutine to write restart data for chemistry model
2635	!------------------------------------------------------------------------------!
2636	SUBROUTINE chem_wrd_local
2637
2638	IMPLICIT NONE
2639
2640	INTEGER(iwp) :: lsp !<
2641
2642	DO lsp = 1, nspec
2643	CALL wrd_write_string( TRIM( chem_species(lsp)%name ) )
2644	WRITE ( 14 ) chem_species(lsp)%conc
2645	CALL wrd_write_string( TRIM( chem_species(lsp)%name )//'_av' )
2646	WRITE ( 14 ) chem_species(lsp)%conc_av
2647	ENDDO
2648
2649	END SUBROUTINE chem_wrd_local
2650
2651
2652
2653	!-------------------------------------------------------------------------------!
2654	!
2655	! Description:
2656	! ------------
2657	!> Subroutine to calculate the deposition of gases and PMs. For now deposition
2658	!> only takes place on lsm and usm horizontal surfaces. Default surfaces are NOT
2659	!> considered. The deposition of particles is derived following Zhang et al.,
2660	!> 2001, gases are deposited using the DEPAC module (van Zanten et al., 2010).
2661	!>
2662	!> @TODO: Consider deposition on vertical surfaces
2663	!> @TODO: Consider overlaying horizontal surfaces
2664	!> @TODO: Consider resolved vegetation
2665	!> @TODO: Check error messages
2666	!-------------------------------------------------------------------------------!
2667
2668	SUBROUTINE chem_depo( i, j )
2669
2670	USE control_parameters, &
2671	ONLY: dt_3d, intermediate_timestep_count, latitude
2672
2673	USE arrays_3d, &
2674	ONLY: dzw, rho_air_zw
2675
2676	USE date_and_time_mod, &
2677	ONLY: day_of_year
2678
2679	USE surface_mod, &
2680	ONLY: ind_pav_green, ind_veg_wall, ind_wat_win, surf_lsm_h, &
2681	surf_type, surf_usm_h
2682
2683	USE radiation_model_mod, &
2684	ONLY: zenith
2685
2686
2687
2688	IMPLICIT NONE
2689
2690	INTEGER(iwp), INTENT(IN) :: i
2691	INTEGER(iwp), INTENT(IN) :: j
2692
2693	INTEGER(iwp) :: k !< matching k to surface m at i,j
2694	INTEGER(iwp) :: lsp !< running index for chem spcs.
2695	INTEGER(iwp) :: lu !< running index for landuse classes
2696	INTEGER(iwp) :: lu_palm !< index of PALM LSM vegetation_type at current surface element
2697	INTEGER(iwp) :: lup_palm !< index of PALM LSM pavement_type at current surface element
2698	INTEGER(iwp) :: luw_palm !< index of PALM LSM water_type at current surface element
2699	INTEGER(iwp) :: luu_palm !< index of PALM USM walls/roofs at current surface element
2700	INTEGER(iwp) :: lug_palm !< index of PALM USM green walls/roofs at current surface element
2701	INTEGER(iwp) :: lud_palm !< index of PALM USM windows at current surface element
2702	INTEGER(iwp) :: lu_dep !< matching DEPAC LU to lu_palm
2703	INTEGER(iwp) :: lup_dep !< matching DEPAC LU to lup_palm
2704	INTEGER(iwp) :: luw_dep !< matching DEPAC LU to luw_palm
2705	INTEGER(iwp) :: luu_dep !< matching DEPAC LU to luu_palm
2706	INTEGER(iwp) :: lug_dep !< matching DEPAC LU to lug_palm
2707	INTEGER(iwp) :: lud_dep !< matching DEPAC LU to lud_palm
2708	INTEGER(iwp) :: m !< index for horizontal surfaces
2709
2710	INTEGER(iwp) :: pspec !< running index
2711	INTEGER(iwp) :: i_pspec !< index for matching depac gas component
2712
2713	!
2714	!-- Vegetation !<Match to DEPAC
2715	INTEGER(iwp) :: ind_lu_user = 0 !< --> ERROR
2716	INTEGER(iwp) :: ind_lu_b_soil = 1 !< --> ilu_desert
2717	INTEGER(iwp) :: ind_lu_mixed_crops = 2 !< --> ilu_arable
2718	INTEGER(iwp) :: ind_lu_s_grass = 3 !< --> ilu_grass
2719	INTEGER(iwp) :: ind_lu_ev_needle_trees = 4 !< --> ilu_coniferous_forest
2720	INTEGER(iwp) :: ind_lu_de_needle_trees = 5 !< --> ilu_coniferous_forest
2721	INTEGER(iwp) :: ind_lu_ev_broad_trees = 6 !< --> ilu_tropical_forest
2722	INTEGER(iwp) :: ind_lu_de_broad_trees = 7 !< --> ilu_deciduous_forest
2723	INTEGER(iwp) :: ind_lu_t_grass = 8 !< --> ilu_grass
2724	INTEGER(iwp) :: ind_lu_desert = 9 !< --> ilu_desert
2725	INTEGER(iwp) :: ind_lu_tundra = 10 !< --> ilu_other
2726	INTEGER(iwp) :: ind_lu_irr_crops = 11 !< --> ilu_arable
2727	INTEGER(iwp) :: ind_lu_semidesert = 12 !< --> ilu_other
2728	INTEGER(iwp) :: ind_lu_ice = 13 !< --> ilu_ice
2729	INTEGER(iwp) :: ind_lu_marsh = 14 !< --> ilu_other
2730	INTEGER(iwp) :: ind_lu_ev_shrubs = 15 !< --> ilu_mediterrean_scrub
2731	INTEGER(iwp) :: ind_lu_de_shrubs = 16 !< --> ilu_mediterrean_scrub
2732	INTEGER(iwp) :: ind_lu_mixed_forest = 17 !< --> ilu_coniferous_forest (ave(decid+conif))
2733	INTEGER(iwp) :: ind_lu_intrup_forest = 18 !< --> ilu_other (ave(other+decid))
2734
2735	!
2736	!-- Water
2737	INTEGER(iwp) :: ind_luw_user = 0 !< --> ERROR
2738	INTEGER(iwp) :: ind_luw_lake = 1 !< --> ilu_water_inland
2739	INTEGER(iwp) :: ind_luw_river = 2 !< --> ilu_water_inland
2740	INTEGER(iwp) :: ind_luw_ocean = 3 !< --> ilu_water_sea
2741	INTEGER(iwp) :: ind_luw_pond = 4 !< --> ilu_water_inland
2742	INTEGER(iwp) :: ind_luw_fountain = 5 !< --> ilu_water_inland
2743
2744	!
2745	!-- Pavement
2746	INTEGER(iwp) :: ind_lup_user = 0 !< --> ERROR
2747	INTEGER(iwp) :: ind_lup_asph_conc = 1 !< --> ilu_desert
2748	INTEGER(iwp) :: ind_lup_asph = 2 !< --> ilu_desert
2749	INTEGER(iwp) :: ind_lup_conc = 3 !< --> ilu_desert
2750	INTEGER(iwp) :: ind_lup_sett = 4 !< --> ilu_desert
2751	INTEGER(iwp) :: ind_lup_pav_stones = 5 !< --> ilu_desert
2752	INTEGER(iwp) :: ind_lup_cobblest = 6 !< --> ilu_desert
2753	INTEGER(iwp) :: ind_lup_metal = 7 !< --> ilu_desert
2754	INTEGER(iwp) :: ind_lup_wood = 8 !< --> ilu_desert
2755	INTEGER(iwp) :: ind_lup_gravel = 9 !< --> ilu_desert
2756	INTEGER(iwp) :: ind_lup_f_gravel = 10 !< --> ilu_desert
2757	INTEGER(iwp) :: ind_lup_pebblest = 11 !< --> ilu_desert
2758	INTEGER(iwp) :: ind_lup_woodchips = 12 !< --> ilu_desert
2759	INTEGER(iwp) :: ind_lup_tartan = 13 !< --> ilu_desert
2760	INTEGER(iwp) :: ind_lup_art_turf = 14 !< --> ilu_desert
2761	INTEGER(iwp) :: ind_lup_clay = 15 !< --> ilu_desert
2762
2763
2764	!
2765	!-- Particle parameters according to the respective aerosol classes (PM25, PM10)
2766	INTEGER(iwp) :: ind_p_size = 1 !< index for partsize in particle_pars
2767	INTEGER(iwp) :: ind_p_dens = 2 !< index for rhopart in particle_pars
2768	INTEGER(iwp) :: ind_p_slip = 3 !< index for slipcor in particle_pars
2769
2770	INTEGER(iwp) :: part_type
2771
2772	INTEGER(iwp) :: nwet !< wetness indicator dor DEPAC; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
2773
2774	REAL(wp) :: dt_chem
2775	REAL(wp) :: dh
2776	REAL(wp) :: inv_dh
2777	REAL(wp) :: dt_dh
2778
2779	REAL(wp) :: dens !< density at layer k at i,j
2780	REAL(wp) :: r_aero_lu !< aerodynamic resistance (s/m) at current surface element
2781	REAL(wp) :: ustar_lu !< ustar at current surface element
2782	REAL(wp) :: z0h_lu !< roughness length for heat at current surface element
2783	REAL(wp) :: glrad !< rad_sw_in at current surface element
2784	REAL(wp) :: ppm_to_ugm3 !< conversion factor
2785	REAL(wp) :: relh !< relative humidity at current surface element
2786	REAL(wp) :: lai !< leaf area index at current surface element
2787	REAL(wp) :: sai !< surface area index at current surface element assumed to be lai + 1
2788
2789	REAL(wp) :: slinnfac
2790	REAL(wp) :: visc !< Viscosity
2791	REAL(wp) :: vs !< Sedimentation velocity
2792	REAL(wp) :: vd_lu !< deposition velocity (m/s)
2793	REAL(wp) :: Rs !< Sedimentaion resistance (s/m)
2794	REAL(wp) :: Rb !< quasi-laminar boundary layer resistance (s/m)
2795	REAL(wp) :: Rc_tot !< total canopy resistance Rc (s/m)
2796
2797	REAL(wp) :: catm !< gasconc. at i, j, k in ug/m3
2798	REAL(wp) :: diffc !< diffusivity
2799
2800
2801	REAL(wp), DIMENSION(nspec) :: bud_now_lu !< budget for LSM vegetation type at current surface element
2802	REAL(wp), DIMENSION(nspec) :: bud_now_lup !< budget for LSM pavement type at current surface element
2803	REAL(wp), DIMENSION(nspec) :: bud_now_luw !< budget for LSM water type at current surface element
2804	REAL(wp), DIMENSION(nspec) :: bud_now_luu !< budget for USM walls/roofs at current surface element
2805	REAL(wp), DIMENSION(nspec) :: bud_now_lug !< budget for USM green surfaces at current surface element
2806	REAL(wp), DIMENSION(nspec) :: bud_now_lud !< budget for USM windows at current surface element
2807	REAL(wp), DIMENSION(nspec) :: bud_now !< overall budget at current surface element
2808	REAL(wp), DIMENSION(nspec) :: cc !< concentration i,j,k
2809	REAL(wp), DIMENSION(nspec) :: ccomp_tot !< total compensation point (ug/m3)
2810	!< For now kept to zero for all species!
2811
2812	REAL(wp) :: ttemp !< temperatur at i,j,k
2813	REAL(wp) :: ts !< surface temperatur in degrees celsius
2814	REAL(wp) :: qv_tmp !< surface mixing ratio at current surface element
2815
2816	!
2817	!-- Particle parameters (PM10 (1), PM25 (2))
2818	!-- partsize (diameter in m), rhopart (density in kg/m3), slipcor
2819	!-- (slip correction factor dimensionless, Seinfeld and Pandis 2006, Table 9.3)
2820	REAL(wp), DIMENSION(1:3,1:2), PARAMETER :: particle_pars = RESHAPE( (/ &
2821	8.0e-6_wp, 1.14e3_wp, 1.016_wp, & !< 1
2822	0.7e-6_wp, 1.14e3_wp, 1.082_wp & !< 2
2823	/), (/ 3, 2 /) )
2824
2825
2826	LOGICAL :: match_lsm !< flag indicating natural-type surface
2827	LOGICAL :: match_usm !< flag indicating urban-type surface
2828
2829
2830	!
2831	!-- List of names of possible tracers
2832	CHARACTER(len=*), PARAMETER :: pspecnames(nposp) = (/ &
2833	'NO2 ', & !< NO2
2834	'NO ', & !< NO
2835	'O3 ', & !< O3
2836	'CO ', & !< CO
2837	'form ', & !< FORM
2838	'ald ', & !< ALD
2839	'pan ', & !< PAN
2840	'mgly ', & !< MGLY
2841	'par ', & !< PAR
2842	'ole ', & !< OLE
2843	'eth ', & !< ETH
2844	'tol ', & !< TOL
2845	'cres ', & !< CRES
2846	'xyl ', & !< XYL
2847	'SO4a_f ', & !< SO4a_f
2848	'SO2 ', & !< SO2
2849	'HNO2 ', & !< HNO2
2850	'CH4 ', & !< CH4
2851	'NH3 ', & !< NH3
2852	'NO3 ', & !< NO3
2853	'OH ', & !< OH
2854	'HO2 ', & !< HO2
2855	'N2O5 ', & !< N2O5
2856	'SO4a_c ', & !< SO4a_c
2857	'NH4a_f ', & !< NH4a_f
2858	'NO3a_f ', & !< NO3a_f
2859	'NO3a_c ', & !< NO3a_c
2860	'C2O3 ', & !< C2O3
2861	'XO2 ', & !< XO2
2862	'XO2N ', & !< XO2N
2863	'cro ', & !< CRO
2864	'HNO3 ', & !< HNO3
2865	'H2O2 ', & !< H2O2
2866	'iso ', & !< ISO
2867	'ispd ', & !< ISPD
2868	'to2 ', & !< TO2
2869	'open ', & !< OPEN
2870	'terp ', & !< TERP
2871	'ec_f ', & !< EC_f
2872	'ec_c ', & !< EC_c
2873	'pom_f ', & !< POM_f
2874	'pom_c ', & !< POM_c
2875	'ppm_f ', & !< PPM_f
2876	'ppm_c ', & !< PPM_c
2877	'na_ff ', & !< Na_ff
2878	'na_f ', & !< Na_f
2879	'na_c ', & !< Na_c
2880	'na_cc ', & !< Na_cc
2881	'na_ccc ', & !< Na_ccc
2882	'dust_ff ', & !< dust_ff
2883	'dust_f ', & !< dust_f
2884	'dust_c ', & !< dust_c
2885	'dust_cc ', & !< dust_cc
2886	'dust_ccc ', & !< dust_ccc
2887	'tpm10 ', & !< tpm10
2888	'tpm25 ', & !< tpm25
2889	'tss ', & !< tss
2890	'tdust ', & !< tdust
2891	'tc ', & !< tc
2892	'tcg ', & !< tcg
2893	'tsoa ', & !< tsoa
2894	'tnmvoc ', & !< tnmvoc
2895	'SOxa ', & !< SOxa
2896	'NOya ', & !< NOya
2897	'NHxa ', & !< NHxa
2898	'NO2_obs ', & !< NO2_obs
2899	'tpm10_biascorr', & !< tpm10_biascorr
2900	'tpm25_biascorr', & !< tpm25_biascorr
2901	'O3_biascorr ' /) !< o3_biascorr
2902
2903
2904	!
2905	!-- tracer mole mass:
2906	REAL(wp), PARAMETER :: specmolm(nposp) = (/ &
2907	xm_O * 2 + xm_N, & !< NO2
2908	xm_O + xm_N, & !< NO
2909	xm_O * 3, & !< O3
2910	xm_C + xm_O, & !< CO
2911	xm_H * 2 + xm_C + xm_O, & !< FORM
2912	xm_H * 3 + xm_C * 2 + xm_O, & !< ALD
2913	xm_H * 3 + xm_C * 2 + xm_O * 5 + xm_N, & !< PAN
2914	xm_H * 4 + xm_C * 3 + xm_O * 2, & !< MGLY
2915	xm_H * 3 + xm_C, & !< PAR
2916	xm_H * 3 + xm_C * 2, & !< OLE
2917	xm_H * 4 + xm_C * 2, & !< ETH
2918	xm_H * 8 + xm_C * 7, & !< TOL
2919	xm_H * 8 + xm_C * 7 + xm_O, & !< CRES
2920	xm_H * 10 + xm_C * 8, & !< XYL
2921	xm_S + xm_O * 4, & !< SO4a_f
2922	xm_S + xm_O * 2, & !< SO2
2923	xm_H + xm_O * 2 + xm_N, & !< HNO2
2924	xm_H * 4 + xm_C, & !< CH4
2925	xm_H * 3 + xm_N, & !< NH3
2926	xm_O * 3 + xm_N, & !< NO3
2927	xm_H + xm_O, & !< OH
2928	xm_H + xm_O * 2, & !< HO2
2929	xm_O * 5 + xm_N * 2, & !< N2O5
2930	xm_S + xm_O * 4, & !< SO4a_c
2931	xm_H * 4 + xm_N, & !< NH4a_f
2932	xm_O * 3 + xm_N, & !< NO3a_f
2933	xm_O * 3 + xm_N, & !< NO3a_c
2934	xm_C * 2 + xm_O * 3, & !< C2O3
2935	xm_dummy, & !< XO2
2936	xm_dummy, & !< XO2N
2937	xm_dummy, & !< CRO
2938	xm_H + xm_O * 3 + xm_N, & !< HNO3
2939	xm_H * 2 + xm_O * 2, & !< H2O2
2940	xm_H * 8 + xm_C * 5, & !< ISO
2941	xm_dummy, & !< ISPD
2942	xm_dummy, & !< TO2
2943	xm_dummy, & !< OPEN
2944	xm_H * 16 + xm_C * 10, & !< TERP
2945	xm_dummy, & !< EC_f
2946	xm_dummy, & !< EC_c
2947	xm_dummy, & !< POM_f
2948	xm_dummy, & !< POM_c
2949	xm_dummy, & !< PPM_f
2950	xm_dummy, & !< PPM_c
2951	xm_Na, & !< Na_ff
2952	xm_Na, & !< Na_f
2953	xm_Na, & !< Na_c
2954	xm_Na, & !< Na_cc
2955	xm_Na, & !< Na_ccc
2956	xm_dummy, & !< dust_ff
2957	xm_dummy, & !< dust_f
2958	xm_dummy, & !< dust_c
2959	xm_dummy, & !< dust_cc
2960	xm_dummy, & !< dust_ccc
2961	xm_dummy, & !< tpm10
2962	xm_dummy, & !< tpm25
2963	xm_dummy, & !< tss
2964	xm_dummy, & !< tdust
2965	xm_dummy, & !< tc
2966	xm_dummy, & !< tcg
2967	xm_dummy, & !< tsoa
2968	xm_dummy, & !< tnmvoc
2969	xm_dummy, & !< SOxa
2970	xm_dummy, & !< NOya
2971	xm_dummy, & !< NHxa
2972	xm_O * 2 + xm_N, & !< NO2_obs
2973	xm_dummy, & !< tpm10_biascorr
2974	xm_dummy, & !< tpm25_biascorr
2975	xm_O * 3 /) !< o3_biascorr
2976
2977
2978	!
2979	!-- Initialize surface element m
2980	m = 0
2981	k = 0
2982	!
2983	!-- LSM or USM surface present at i,j:
2984	!-- Default surfaces are NOT considered for deposition
2985	match_lsm = surf_lsm_h%start_index(j,i) <= surf_lsm_h%end_index(j,i)
2986	match_usm = surf_usm_h%start_index(j,i) <= surf_usm_h%end_index(j,i)
2987
2988
2989	!
2990	!--For LSM surfaces
2991
2992	IF ( match_lsm ) THEN
2993
2994	!
2995	!-- Get surface element information at i,j:
2996	m = surf_lsm_h%start_index(j,i)
2997	k = surf_lsm_h%k(m)
2998
2999	!
3000	!-- Get needed variables for surface element m
3001	ustar_lu = surf_lsm_h%us(m)
3002	z0h_lu = surf_lsm_h%z0h(m)
3003	r_aero_lu = surf_lsm_h%r_a(m)
3004	glrad = surf_lsm_h%rad_sw_in(m)
3005	lai = surf_lsm_h%lai(m)
3006	sai = lai + 1
3007
3008	!
3009	!-- For small grid spacing neglect R_a
3010	IF ( dzw(k) <= 1.0 ) THEN
3011	r_aero_lu = 0.0_wp
3012	ENDIF
3013
3014	!
3015	!--Initialize lu's
3016	lu_palm = 0
3017	lu_dep = 0
3018	lup_palm = 0
3019	lup_dep = 0
3020	luw_palm = 0
3021	luw_dep = 0
3022
3023	!
3024	!--Initialize budgets
3025	bud_now_lu = 0.0_wp
3026	bud_now_lup = 0.0_wp
3027	bud_now_luw = 0.0_wp
3028
3029
3030	!
3031	!-- Get land use for i,j and assign to DEPAC lu
3032	IF ( surf_lsm_h%frac(ind_veg_wall,m) > 0 ) THEN
3033	lu_palm = surf_lsm_h%vegetation_type(m)
3034	IF ( lu_palm == ind_lu_user ) THEN
3035	message_string = 'No vegetation type defined. Please define vegetation type to enable deposition calculation'
3036	CALL message( 'chem_depo', 'CM0451', 1, 2, 0, 6, 0 )
3037	ELSEIF ( lu_palm == ind_lu_b_soil ) THEN
3038	lu_dep = 9
3039	ELSEIF ( lu_palm == ind_lu_mixed_crops ) THEN
3040	lu_dep = 2
3041	ELSEIF ( lu_palm == ind_lu_s_grass ) THEN
3042	lu_dep = 1
3043	ELSEIF ( lu_palm == ind_lu_ev_needle_trees ) THEN
3044	lu_dep = 4
3045	ELSEIF ( lu_palm == ind_lu_de_needle_trees ) THEN
3046	lu_dep = 4
3047	ELSEIF ( lu_palm == ind_lu_ev_broad_trees ) THEN
3048	lu_dep = 12
3049	ELSEIF ( lu_palm == ind_lu_de_broad_trees ) THEN
3050	lu_dep = 5
3051	ELSEIF ( lu_palm == ind_lu_t_grass ) THEN
3052	lu_dep = 1
3053	ELSEIF ( lu_palm == ind_lu_desert ) THEN
3054	lu_dep = 9
3055	ELSEIF ( lu_palm == ind_lu_tundra ) THEN
3056	lu_dep = 8
3057	ELSEIF ( lu_palm == ind_lu_irr_crops ) THEN
3058	lu_dep = 2
3059	ELSEIF ( lu_palm == ind_lu_semidesert ) THEN
3060	lu_dep = 8
3061	ELSEIF ( lu_palm == ind_lu_ice ) THEN
3062	lu_dep = 10
3063	ELSEIF ( lu_palm == ind_lu_marsh ) THEN
3064	lu_dep = 8
3065	ELSEIF ( lu_palm == ind_lu_ev_shrubs ) THEN
3066	lu_dep = 14
3067	ELSEIF ( lu_palm == ind_lu_de_shrubs ) THEN
3068	lu_dep = 14
3069	ELSEIF ( lu_palm == ind_lu_mixed_forest ) THEN
3070	lu_dep = 4
3071	ELSEIF ( lu_palm == ind_lu_intrup_forest ) THEN
3072	lu_dep = 8
3073	ENDIF
3074	ENDIF
3075
3076	IF ( surf_lsm_h%frac(ind_pav_green,m) > 0 ) THEN
3077	lup_palm = surf_lsm_h%pavement_type(m)
3078	IF ( lup_palm == ind_lup_user ) THEN
3079	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3080	CALL message( 'chem_depo', 'CM0452', 1, 2, 0, 6, 0 )
3081	ELSEIF ( lup_palm == ind_lup_asph_conc ) THEN
3082	lup_dep = 9
3083	ELSEIF ( lup_palm == ind_lup_asph ) THEN
3084	lup_dep = 9
3085	ELSEIF ( lup_palm == ind_lup_conc ) THEN
3086	lup_dep = 9
3087	ELSEIF ( lup_palm == ind_lup_sett ) THEN
3088	lup_dep = 9
3089	ELSEIF ( lup_palm == ind_lup_pav_stones ) THEN
3090	lup_dep = 9
3091	ELSEIF ( lup_palm == ind_lup_cobblest ) THEN
3092	lup_dep = 9
3093	ELSEIF ( lup_palm == ind_lup_metal ) THEN
3094	lup_dep = 9
3095	ELSEIF ( lup_palm == ind_lup_wood ) THEN
3096	lup_dep = 9
3097	ELSEIF ( lup_palm == ind_lup_gravel ) THEN
3098	lup_dep = 9
3099	ELSEIF ( lup_palm == ind_lup_f_gravel ) THEN
3100	lup_dep = 9
3101	ELSEIF ( lup_palm == ind_lup_pebblest ) THEN
3102	lup_dep = 9
3103	ELSEIF ( lup_palm == ind_lup_woodchips ) THEN
3104	lup_dep = 9
3105	ELSEIF ( lup_palm == ind_lup_tartan ) THEN
3106	lup_dep = 9
3107	ELSEIF ( lup_palm == ind_lup_art_turf ) THEN
3108	lup_dep = 9
3109	ELSEIF ( lup_palm == ind_lup_clay ) THEN
3110	lup_dep = 9
3111	ENDIF
3112	ENDIF
3113
3114	IF ( surf_lsm_h%frac(ind_wat_win,m) > 0 ) THEN
3115	luw_palm = surf_lsm_h%water_type(m)
3116	IF ( luw_palm == ind_luw_user ) THEN
3117	message_string = 'No water type defined. Please define water type to enable deposition calculation'
3118	CALL message( 'chem_depo', 'CM0453', 1, 2, 0, 6, 0 )
3119	ELSEIF ( luw_palm == ind_luw_lake ) THEN
3120	luw_dep = 13
3121	ELSEIF ( luw_palm == ind_luw_river ) THEN
3122	luw_dep = 13
3123	ELSEIF ( luw_palm == ind_luw_ocean ) THEN
3124	luw_dep = 6
3125	ELSEIF ( luw_palm == ind_luw_pond ) THEN
3126	luw_dep = 13
3127	ELSEIF ( luw_palm == ind_luw_fountain ) THEN
3128	luw_dep = 13
3129	ENDIF
3130	ENDIF
3131
3132
3133	!
3134	!-- Set wetness indicator to dry or wet for lsm vegetation or pavement
3135	IF ( surf_lsm_h%c_liq(m) > 0 ) THEN
3136	nwet = 1
3137	ELSE
3138	nwet = 0
3139	ENDIF
3140
3141	!
3142	!--Compute length of time step
3143	IF ( call_chem_at_all_substeps ) THEN
3144	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
3145	ELSE
3146	dt_chem = dt_3d
3147	ENDIF
3148
3149
3150	dh = dzw(k)
3151	inv_dh = 1.0_wp / dh
3152	dt_dh = dt_chem/dh
3153
3154	!
3155	!-- Concentration at i,j,k
3156	DO lsp = 1, nspec
3157	cc(lsp) = chem_species(lsp)%conc(k,j,i)
3158	ENDDO
3159
3160
3161	!
3162	!-- Temperature at i,j,k
3163	ttemp = pt(k,j,i) * ( hyp(k) / 100000.0_wp )**0.286_wp
3164
3165	ts = ttemp - 273.15 !< in degrees celcius
3166
3167	!
3168	!-- Viscosity of air
3169	visc = 1.496e-6 * ttemp**1.5 / (ttemp+120.0)
3170
3171	!
3172	!-- Air density at k
3173	dens = rho_air_zw(k)
3174
3175	!
3176	!-- Calculate relative humidity from specific humidity for DEPAC
3177	qv_tmp = MAX(q(k,j,i),0.0_wp)
3178	relh = relativehumidity_from_specifichumidity(qv_tmp, ttemp, hyp(k) )
3179
3180
3181
3182	!
3183	!-- Check if surface fraction (vegetation, pavement or water) > 0 and calculate vd and budget
3184	!-- for each surface fraction. Then derive overall budget taking into account the surface fractions.
3185
3186	!
3187	!-- Vegetation
3188	IF ( surf_lsm_h%frac(ind_veg_wall,m) > 0 ) THEN
3189
3190
3191	slinnfac = 1.0_wp
3192
3193	!
3194	!-- Get vd
3195	DO lsp = 1, nvar
3196	!
3197	!-- Initialize
3198	vs = 0.0_wp
3199	vd_lu = 0.0_wp
3200	Rs = 0.0_wp
3201	Rb = 0.0_wp
3202	Rc_tot = 0.0_wp
3203	IF ( spc_names(lsp) == 'PM10' ) THEN
3204	part_type = 1
3205	!
3206	!-- Sedimentation velocity
3207	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3208	particle_pars(ind_p_size, part_type), &
3209	particle_pars(ind_p_slip, part_type), &
3210	visc)
3211
3212	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3213	vs, &
3214	particle_pars(ind_p_size, part_type), &
3215	particle_pars(ind_p_slip, part_type), &
3216	nwet, ttemp, dens, visc, &
3217	lu_dep, &
3218	r_aero_lu, ustar_lu )
3219
3220	bud_now_lu(lsp) = - cc(lsp) * &
3221	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3222
3223
3224	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3225	part_type = 2
3226	!
3227	!-- Sedimentation velocity
3228	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3229	particle_pars(ind_p_size, part_type), &
3230	particle_pars(ind_p_slip, part_type), &
3231	visc)
3232
3233
3234	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3235	vs, &
3236	particle_pars(ind_p_size, part_type), &
3237	particle_pars(ind_p_slip, part_type), &
3238	nwet, ttemp, dens, visc, &
3239	lu_dep , &
3240	r_aero_lu, ustar_lu )
3241
3242	bud_now_lu(lsp) = - cc(lsp) * &
3243	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3244
3245
3246	ELSE !< GASES
3247
3248	!
3249	!-- Read spc_name of current species for gas parameter
3250
3251	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
3252	i_pspec = 0
3253	DO pspec = 1, nposp
3254	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3255	i_pspec = pspec
3256	END IF
3257	ENDDO
3258
3259	ELSE
3260	!
3261	!-- For now species not deposited
3262	CYCLE
3263	ENDIF
3264
3265	!
3266	!-- Factor used for conversion from ppb to ug/m3 :
3267	!-- ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3268	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3269	! c 1e-9 xm_tracer 1e9 / xm_air dens
3270	!-- thus:
3271	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3272	!-- Use density at k:
3273
3274	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3275
3276	!
3277	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3278	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3279	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3280
3281	!
3282	!-- Diffusivity for DEPAC relevant gases
3283	!-- Use default value
3284	diffc = 0.11e-4
3285	!
3286	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3287	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3288	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3289	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3290	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3291	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3292	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3293	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3294
3295
3296	!
3297	!-- Get quasi-laminar boundary layer resistance Rb:
3298	CALL get_rb_cell( (lu_dep == ilu_water_sea) .OR. (lu_dep == ilu_water_inland), &
3299	z0h_lu, ustar_lu, diffc, &
3300	Rb )
3301
3302	!
3303	!-- Get Rc_tot
3304	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3305	relh, lai, sai, nwet, lu_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3306	r_aero_lu , Rb )
3307
3308
3309	!
3310	!-- Calculate budget
3311	IF ( Rc_tot <= 0.0 ) THEN
3312
3313	bud_now_lu(lsp) = 0.0_wp
3314
3315	ELSE
3316
3317	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
3318
3319	bud_now_lu(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
3320	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3321	ENDIF
3322
3323	ENDIF
3324	ENDDO
3325	ENDIF
3326
3327
3328	!
3329	!-- Pavement
3330	IF ( surf_lsm_h%frac(ind_pav_green,m) > 0 ) THEN
3331
3332
3333	!
3334	!-- No vegetation on pavements:
3335	lai = 0.0_wp
3336	sai = 0.0_wp
3337
3338	slinnfac = 1.0_wp
3339
3340	!
3341	!-- Get vd
3342	DO lsp = 1, nvar
3343	!
3344	!-- Initialize
3345	vs = 0.0_wp
3346	vd_lu = 0.0_wp
3347	Rs = 0.0_wp
3348	Rb = 0.0_wp
3349	Rc_tot = 0.0_wp
3350	IF ( spc_names(lsp) == 'PM10' ) THEN
3351	part_type = 1
3352	!
3353	!-- Sedimentation velocity:
3354	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3355	particle_pars(ind_p_size, part_type), &
3356	particle_pars(ind_p_slip, part_type), &
3357	visc)
3358
3359	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3360	vs, &
3361	particle_pars(ind_p_size, part_type), &
3362	particle_pars(ind_p_slip, part_type), &
3363	nwet, ttemp, dens, visc, &
3364	lup_dep, &
3365	r_aero_lu, ustar_lu )
3366
3367	bud_now_lup(lsp) = - cc(lsp) * &
3368	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3369
3370
3371	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3372	part_type = 2
3373	!
3374	!-- Sedimentation velocity:
3375	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3376	particle_pars(ind_p_size, part_type), &
3377	particle_pars(ind_p_slip, part_type), &
3378	visc)
3379
3380
3381	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3382	vs, &
3383	particle_pars(ind_p_size, part_type), &
3384	particle_pars(ind_p_slip, part_type), &
3385	nwet, ttemp, dens, visc, &
3386	lup_dep, &
3387	r_aero_lu, ustar_lu )
3388
3389	bud_now_lup(lsp) = - cc(lsp) * &
3390	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3391
3392
3393	ELSE !<GASES
3394
3395	!
3396	!-- Read spc_name of current species for gas parameter
3397
3398	IF ( ANY(pspecnames(:) == spc_names(lsp) ) ) THEN
3399	i_pspec = 0
3400	DO pspec = 1, nposp
3401	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3402	i_pspec = pspec
3403	END IF
3404	ENDDO
3405
3406	ELSE
3407	!
3408	!-- For now species not deposited
3409	CYCLE
3410	ENDIF
3411
3412	!-- Factor used for conversion from ppb to ug/m3 :
3413	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3414	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3415	! c 1e-9 xm_tracer 1e9 / xm_air dens
3416	!-- thus:
3417	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3418	!-- Use density at lowest layer:
3419
3420	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3421
3422	!
3423	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3424	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3425	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3426
3427	!
3428	!-- Diffusivity for DEPAC relevant gases
3429	!-- Use default value
3430	diffc = 0.11e-4
3431	!
3432	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3433	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3434	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3435	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3436	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3437	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3438	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3439	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3440
3441
3442	!
3443	!-- Get quasi-laminar boundary layer resistance Rb:
3444	CALL get_rb_cell( (lup_dep == ilu_water_sea) .OR. (lup_dep == ilu_water_inland), &
3445	z0h_lu, ustar_lu, diffc, &
3446	Rb )
3447
3448
3449	!
3450	!-- Get Rc_tot
3451	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3452	relh, lai, sai, nwet, lup_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3453	r_aero_lu , Rb )
3454
3455
3456	!
3457	!-- Calculate budget
3458	IF ( Rc_tot <= 0.0 ) THEN
3459
3460	bud_now_lup(lsp) = 0.0_wp
3461
3462	ELSE
3463
3464	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
3465
3466	bud_now_lup(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
3467	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3468	ENDIF
3469
3470
3471	ENDIF
3472	ENDDO
3473	ENDIF
3474
3475
3476	!
3477	!-- Water
3478	IF ( surf_lsm_h%frac(ind_wat_win,m) > 0 ) THEN
3479
3480
3481	!
3482	!-- No vegetation on water:
3483	lai = 0.0_wp
3484	sai = 0.0_wp
3485
3486	slinnfac = 1.0_wp
3487
3488	!
3489	!-- Get vd
3490	DO lsp = 1, nvar
3491	!
3492	!-- Initialize
3493	vs = 0.0_wp
3494	vd_lu = 0.0_wp
3495	Rs = 0.0_wp
3496	Rb = 0.0_wp
3497	Rc_tot = 0.0_wp
3498	IF ( spc_names(lsp) == 'PM10' ) THEN
3499	part_type = 1
3500	!
3501	!-- Sedimentation velocity:
3502	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3503	particle_pars(ind_p_size, part_type), &
3504	particle_pars(ind_p_slip, part_type), &
3505	visc)
3506
3507	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3508	vs, &
3509	particle_pars(ind_p_size, part_type), &
3510	particle_pars(ind_p_slip, part_type), &
3511	nwet, ttemp, dens, visc, &
3512	luw_dep, &
3513	r_aero_lu, ustar_lu )
3514
3515	bud_now_luw(lsp) = - cc(lsp) * &
3516	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3517
3518
3519	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3520	part_type = 2
3521	!
3522	!-- Sedimentation velocity:
3523	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3524	particle_pars(ind_p_size, part_type), &
3525	particle_pars(ind_p_slip, part_type), &
3526	visc)
3527
3528
3529	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3530	vs, &
3531	particle_pars(ind_p_size, part_type), &
3532	particle_pars(ind_p_slip, part_type), &
3533	nwet, ttemp, dens, visc, &
3534	luw_dep, &
3535	r_aero_lu, ustar_lu )
3536
3537	bud_now_luw(lsp) = - cc(lsp) * &
3538	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3539
3540
3541	ELSE !<GASES
3542
3543	!
3544	!-- Read spc_name of current species for gas PARAMETER
3545
3546	IF ( ANY(pspecnames(:) == spc_names(lsp) ) ) THEN
3547	i_pspec = 0
3548	DO pspec = 1, nposp
3549	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3550	i_pspec = pspec
3551	END IF
3552	ENDDO
3553
3554	ELSE
3555	!
3556	!-- For now species not deposited
3557	CYCLE
3558	ENDIF
3559
3560	!-- Factor used for conversion from ppb to ug/m3 :
3561	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3562	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3563	! c 1e-9 xm_tracer 1e9 / xm_air dens
3564	!-- thus:
3565	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3566	!-- Use density at lowest layer:
3567
3568	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3569
3570	!
3571	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3572	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3573	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3574
3575	!
3576	!-- Diffusivity for DEPAC relevant gases
3577	!-- Use default value
3578	diffc = 0.11e-4
3579	!
3580	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3581	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3582	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3583	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3584	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3585	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3586	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3587	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3588
3589
3590	!
3591	!-- Get quasi-laminar boundary layer resistance Rb:
3592	CALL get_rb_cell( (luw_dep == ilu_water_sea) .OR. (luw_dep == ilu_water_inland), &
3593	z0h_lu, ustar_lu, diffc, &
3594	Rb )
3595
3596	!
3597	!-- Get Rc_tot
3598	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3599	relh, lai, sai, nwet, luw_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3600	r_aero_lu , Rb )
3601
3602
3603	! Calculate budget
3604	IF ( Rc_tot <= 0.0 ) THEN
3605
3606	bud_now_luw(lsp) = 0.0_wp
3607
3608	ELSE
3609
3610	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
3611
3612	bud_now_luw(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
3613	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3614	ENDIF
3615
3616	ENDIF
3617	ENDDO
3618	ENDIF
3619
3620
3621	bud_now = 0.0_wp
3622	!
3623	!-- Calculate overall budget for surface m and adapt concentration
3624	DO lsp = 1, nspec
3625
3626
3627	bud_now(lsp) = surf_lsm_h%frac(ind_veg_wall,m) * bud_now_lu(lsp) + &
3628	surf_lsm_h%frac(ind_pav_green,m) * bud_now_lup(lsp) + &
3629	surf_lsm_h%frac(ind_wat_win,m) * bud_now_luw(lsp)
3630
3631	!
3632	!-- Compute new concentration:
3633	cc(lsp) = cc(lsp) + bud_now(lsp) * inv_dh
3634
3635	chem_species(lsp)%conc(k,j,i) = MAX(0.0_wp, cc(lsp))
3636
3637	ENDDO
3638
3639	ENDIF
3640
3641
3642
3643
3644	!
3645	!-- For USM surfaces
3646
3647	IF ( match_usm ) THEN
3648
3649	!
3650	!-- Get surface element information at i,j:
3651	m = surf_usm_h%start_index(j,i)
3652	k = surf_usm_h%k(m)
3653
3654	!
3655	!-- Get needed variables for surface element m
3656	ustar_lu = surf_usm_h%us(m)
3657	z0h_lu = surf_usm_h%z0h(m)
3658	r_aero_lu = surf_usm_h%r_a(m)
3659	glrad = surf_usm_h%rad_sw_in(m)
3660	lai = surf_usm_h%lai(m)
3661	sai = lai + 1
3662
3663	!
3664	!-- For small grid spacing neglect R_a
3665	IF ( dzw(k) <= 1.0 ) THEN
3666	r_aero_lu = 0.0_wp
3667	ENDIF
3668
3669	!
3670	!-- Initialize lu's
3671	luu_palm = 0
3672	luu_dep = 0
3673	lug_palm = 0
3674	lug_dep = 0
3675	lud_palm = 0
3676	lud_dep = 0
3677
3678	!
3679	!-- Initialize budgets
3680	bud_now_luu = 0.0_wp
3681	bud_now_lug = 0.0_wp
3682	bud_now_lud = 0.0_wp
3683
3684
3685	!
3686	!-- Get land use for i,j and assign to DEPAC lu
3687	IF ( surf_usm_h%frac(ind_pav_green,m) > 0 ) THEN
3688	!
3689	!-- For green urban surfaces (e.g. green roofs
3690	!-- assume LU short grass
3691	lug_palm = ind_lu_s_grass
3692	IF ( lug_palm == ind_lu_user ) THEN
3693	message_string = 'No vegetation type defined. Please define vegetation type to enable deposition calculation'
3694	CALL message( 'chem_depo', 'CM0454', 1, 2, 0, 6, 0 )
3695	ELSEIF ( lug_palm == ind_lu_b_soil ) THEN
3696	lug_dep = 9
3697	ELSEIF ( lug_palm == ind_lu_mixed_crops ) THEN
3698	lug_dep = 2
3699	ELSEIF ( lug_palm == ind_lu_s_grass ) THEN
3700	lug_dep = 1
3701	ELSEIF ( lug_palm == ind_lu_ev_needle_trees ) THEN
3702	lug_dep = 4
3703	ELSEIF ( lug_palm == ind_lu_de_needle_trees ) THEN
3704	lug_dep = 4
3705	ELSEIF ( lug_palm == ind_lu_ev_broad_trees ) THEN
3706	lug_dep = 12
3707	ELSEIF ( lug_palm == ind_lu_de_broad_trees ) THEN
3708	lug_dep = 5
3709	ELSEIF ( lug_palm == ind_lu_t_grass ) THEN
3710	lug_dep = 1
3711	ELSEIF ( lug_palm == ind_lu_desert ) THEN
3712	lug_dep = 9
3713	ELSEIF ( lug_palm == ind_lu_tundra ) THEN
3714	lug_dep = 8
3715	ELSEIF ( lug_palm == ind_lu_irr_crops ) THEN
3716	lug_dep = 2
3717	ELSEIF ( lug_palm == ind_lu_semidesert ) THEN
3718	lug_dep = 8
3719	ELSEIF ( lug_palm == ind_lu_ice ) THEN
3720	lug_dep = 10
3721	ELSEIF ( lug_palm == ind_lu_marsh ) THEN
3722	lug_dep = 8
3723	ELSEIF ( lug_palm == ind_lu_ev_shrubs ) THEN
3724	lug_dep = 14
3725	ELSEIF ( lug_palm == ind_lu_de_shrubs ) THEN
3726	lug_dep = 14
3727	ELSEIF ( lug_palm == ind_lu_mixed_forest ) THEN
3728	lug_dep = 4
3729	ELSEIF ( lug_palm == ind_lu_intrup_forest ) THEN
3730	lug_dep = 8
3731	ENDIF
3732	ENDIF
3733
3734	IF ( surf_usm_h%frac(ind_veg_wall,m) > 0 ) THEN
3735	!
3736	!-- For walls in USM assume concrete walls/roofs,
3737	!-- assumed LU class desert as also assumed for
3738	!-- pavements in LSM
3739	luu_palm = ind_lup_conc
3740	IF ( luu_palm == ind_lup_user ) THEN
3741	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3742	CALL message( 'chem_depo', 'CM0455', 1, 2, 0, 6, 0 )
3743	ELSEIF ( luu_palm == ind_lup_asph_conc ) THEN
3744	luu_dep = 9
3745	ELSEIF ( luu_palm == ind_lup_asph ) THEN
3746	luu_dep = 9
3747	ELSEIF ( luu_palm == ind_lup_conc ) THEN
3748	luu_dep = 9
3749	ELSEIF ( luu_palm == ind_lup_sett ) THEN
3750	luu_dep = 9
3751	ELSEIF ( luu_palm == ind_lup_pav_stones ) THEN
3752	luu_dep = 9
3753	ELSEIF ( luu_palm == ind_lup_cobblest ) THEN
3754	luu_dep = 9
3755	ELSEIF ( luu_palm == ind_lup_metal ) THEN
3756	luu_dep = 9
3757	ELSEIF ( luu_palm == ind_lup_wood ) THEN
3758	luu_dep = 9
3759	ELSEIF ( luu_palm == ind_lup_gravel ) THEN
3760	luu_dep = 9
3761	ELSEIF ( luu_palm == ind_lup_f_gravel ) THEN
3762	luu_dep = 9
3763	ELSEIF ( luu_palm == ind_lup_pebblest ) THEN
3764	luu_dep = 9
3765	ELSEIF ( luu_palm == ind_lup_woodchips ) THEN
3766	luu_dep = 9
3767	ELSEIF ( luu_palm == ind_lup_tartan ) THEN
3768	luu_dep = 9
3769	ELSEIF ( luu_palm == ind_lup_art_turf ) THEN
3770	luu_dep = 9
3771	ELSEIF ( luu_palm == ind_lup_clay ) THEN
3772	luu_dep = 9
3773	ENDIF
3774	ENDIF
3775
3776	IF ( surf_usm_h%frac(ind_wat_win,m) > 0 ) THEN
3777	!
3778	!-- For windows in USM assume metal as this is
3779	!-- as close as we get, assumed LU class desert
3780	!-- as also assumed for pavements in LSM
3781	lud_palm = ind_lup_metal
3782	IF ( lud_palm == ind_lup_user ) THEN
3783	message_string = 'No pavement type defined. Please define pavement type to enable deposition calculation'
3784	CALL message( 'chem_depo', 'CM0456', 1, 2, 0, 6, 0 )
3785	ELSEIF ( lud_palm == ind_lup_asph_conc ) THEN
3786	lud_dep = 9
3787	ELSEIF ( lud_palm == ind_lup_asph ) THEN
3788	lud_dep = 9
3789	ELSEIF ( lud_palm == ind_lup_conc ) THEN
3790	lud_dep = 9
3791	ELSEIF ( lud_palm == ind_lup_sett ) THEN
3792	lud_dep = 9
3793	ELSEIF ( lud_palm == ind_lup_pav_stones ) THEN
3794	lud_dep = 9
3795	ELSEIF ( lud_palm == ind_lup_cobblest ) THEN
3796	lud_dep = 9
3797	ELSEIF ( lud_palm == ind_lup_metal ) THEN
3798	lud_dep = 9
3799	ELSEIF ( lud_palm == ind_lup_wood ) THEN
3800	lud_dep = 9
3801	ELSEIF ( lud_palm == ind_lup_gravel ) THEN
3802	lud_dep = 9
3803	ELSEIF ( lud_palm == ind_lup_f_gravel ) THEN
3804	lud_dep = 9
3805	ELSEIF ( lud_palm == ind_lup_pebblest ) THEN
3806	lud_dep = 9
3807	ELSEIF ( lud_palm == ind_lup_woodchips ) THEN
3808	lud_dep = 9
3809	ELSEIF ( lud_palm == ind_lup_tartan ) THEN
3810	lud_dep = 9
3811	ELSEIF ( lud_palm == ind_lup_art_turf ) THEN
3812	lud_dep = 9
3813	ELSEIF ( lud_palm == ind_lup_clay ) THEN
3814	lud_dep = 9
3815	ENDIF
3816	ENDIF
3817
3818
3819	!
3820	!-- @TODO: Activate these lines as soon as new ebsolver branch is merged:
3821	!-- Set wetness indicator to dry or wet for usm vegetation or pavement
3822	!IF ( surf_usm_h%c_liq(m) > 0 ) THEN
3823	! nwet = 1
3824	!ELSE
3825	nwet = 0
3826	!ENDIF
3827
3828	!
3829	!-- Compute length of time step
3830	IF ( call_chem_at_all_substeps ) THEN
3831	dt_chem = dt_3d * weight_pres(intermediate_timestep_count)
3832	ELSE
3833	dt_chem = dt_3d
3834	ENDIF
3835
3836
3837	dh = dzw(k)
3838	inv_dh = 1.0_wp / dh
3839	dt_dh = dt_chem/dh
3840
3841	!
3842	!-- Concentration at i,j,k
3843	DO lsp = 1, nspec
3844	cc(lsp) = chem_species(lsp)%conc(k,j,i)
3845	ENDDO
3846
3847	!
3848	!-- Temperature at i,j,k
3849	ttemp = pt(k,j,i) * ( hyp(k) / 100000.0_wp )**0.286_wp
3850
3851	ts = ttemp - 273.15 !< in degrees celcius
3852
3853	!
3854	!-- Viscosity of air
3855	visc = 1.496e-6 * ttemp**1.5 / (ttemp+120.0)
3856
3857	!
3858	!-- Air density at k
3859	dens = rho_air_zw(k)
3860
3861	!
3862	!-- Calculate relative humidity from specific humidity for DEPAC
3863	qv_tmp = MAX(q(k,j,i),0.0_wp)
3864	relh = relativehumidity_from_specifichumidity(qv_tmp, ttemp, hyp(nzb) )
3865
3866
3867
3868	!
3869	!-- Check if surface fraction (vegetation, pavement or water) > 0 and calculate vd and budget
3870	!-- for each surface fraction. Then derive overall budget taking into account the surface fractions.
3871
3872	!
3873	!-- Walls/roofs
3874	IF ( surf_usm_h%frac(ind_veg_wall,m) > 0 ) THEN
3875
3876
3877	!
3878	!-- No vegetation on non-green walls:
3879	lai = 0.0_wp
3880	sai = 0.0_wp
3881
3882	slinnfac = 1.0_wp
3883
3884	!
3885	!-- Get vd
3886	DO lsp = 1, nvar
3887	!
3888	!-- Initialize
3889	vs = 0.0_wp
3890	vd_lu = 0.0_wp
3891	Rs = 0.0_wp
3892	Rb = 0.0_wp
3893	Rc_tot = 0.0_wp
3894	IF (spc_names(lsp) == 'PM10' ) THEN
3895	part_type = 1
3896	!
3897	!-- Sedimentation velocity
3898	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3899	particle_pars(ind_p_size, part_type), &
3900	particle_pars(ind_p_slip, part_type), &
3901	visc)
3902
3903	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3904	vs, &
3905	particle_pars(ind_p_size, part_type), &
3906	particle_pars(ind_p_slip, part_type), &
3907	nwet, ttemp, dens, visc, &
3908	luu_dep, &
3909	r_aero_lu, ustar_lu )
3910
3911	bud_now_luu(lsp) = - cc(lsp) * &
3912	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3913
3914
3915	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
3916	part_type = 2
3917	!
3918	!-- Sedimentation velocity
3919	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
3920	particle_pars(ind_p_size, part_type), &
3921	particle_pars(ind_p_slip, part_type), &
3922	visc)
3923
3924
3925	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
3926	vs, &
3927	particle_pars(ind_p_size, part_type), &
3928	particle_pars(ind_p_slip, part_type), &
3929	nwet, ttemp, dens, visc, &
3930	luu_dep , &
3931	r_aero_lu, ustar_lu )
3932
3933	bud_now_luu(lsp) = - cc(lsp) * &
3934	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
3935
3936
3937	ELSE !< GASES
3938
3939	!
3940	!-- Read spc_name of current species for gas parameter
3941
3942	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
3943	i_pspec = 0
3944	DO pspec = 1, nposp
3945	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
3946	i_pspec = pspec
3947	END IF
3948	ENDDO
3949	ELSE
3950	!
3951	!-- For now species not deposited
3952	CYCLE
3953	ENDIF
3954
3955	!
3956	!-- Factor used for conversion from ppb to ug/m3 :
3957	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
3958	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
3959	! c 1e-9 xm_tracer 1e9 / xm_air dens
3960	!-- thus:
3961	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
3962	!-- Use density at k:
3963
3964	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp !< (mole air)/m3
3965
3966	!
3967	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
3968	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
3969	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
3970
3971	!
3972	!-- Diffusivity for DEPAC relevant gases
3973	!-- Use default value
3974	diffc = 0.11e-4
3975	!
3976	!-- overwrite with known coefficients of diffusivity from Massman (1998)
3977	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
3978	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
3979	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
3980	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
3981	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
3982	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
3983	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
3984
3985
3986	!
3987	!-- Get quasi-laminar boundary layer resistance Rb:
3988	CALL get_rb_cell( (luu_dep == ilu_water_sea) .OR. (luu_dep == ilu_water_inland), &
3989	z0h_lu, ustar_lu, diffc, &
3990	Rb )
3991
3992	!
3993	!-- Get Rc_tot
3994	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
3995	relh, lai, sai, nwet, luu_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
3996	r_aero_lu , Rb )
3997
3998
3999	!
4000	!-- Calculate budget
4001	IF ( Rc_tot <= 0.0 ) THEN
4002
4003	bud_now_luu(lsp) = 0.0_wp
4004
4005	ELSE
4006
4007	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
4008
4009	bud_now_luu(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
4010	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4011	ENDIF
4012
4013	ENDIF
4014	ENDDO
4015	ENDIF
4016
4017
4018	!
4019	!-- Green usm surfaces
4020	IF ( surf_usm_h%frac(ind_pav_green,m) > 0 ) THEN
4021
4022
4023	slinnfac = 1.0_wp
4024
4025	!
4026	!-- Get vd
4027	DO lsp = 1, nvar
4028	!
4029	!-- Initialize
4030	vs = 0.0_wp
4031	vd_lu = 0.0_wp
4032	Rs = 0.0_wp
4033	Rb = 0.0_wp
4034	Rc_tot = 0.0_wp
4035	IF ( spc_names(lsp) == 'PM10' ) THEN
4036	part_type = 1
4037	! Sedimentation velocity
4038	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4039	particle_pars(ind_p_size, part_type), &
4040	particle_pars(ind_p_slip, part_type), &
4041	visc)
4042
4043	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4044	vs, &
4045	particle_pars(ind_p_size, part_type), &
4046	particle_pars(ind_p_slip, part_type), &
4047	nwet, ttemp, dens, visc, &
4048	lug_dep, &
4049	r_aero_lu, ustar_lu )
4050
4051	bud_now_lug(lsp) = - cc(lsp) * &
4052	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4053
4054
4055	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4056	part_type = 2
4057	! Sedimentation velocity
4058	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4059	particle_pars(ind_p_size, part_type), &
4060	particle_pars(ind_p_slip, part_type), &
4061	visc)
4062
4063
4064	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4065	vs, &
4066	particle_pars(ind_p_size, part_type), &
4067	particle_pars(ind_p_slip, part_type), &
4068	nwet, ttemp, dens, visc, &
4069	lug_dep, &
4070	r_aero_lu, ustar_lu )
4071
4072	bud_now_lug(lsp) = - cc(lsp) * &
4073	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4074
4075
4076	ELSE !< GASES
4077
4078	!
4079	!-- Read spc_name of current species for gas parameter
4080
4081	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4082	i_pspec = 0
4083	DO pspec = 1, nposp
4084	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4085	i_pspec = pspec
4086	END IF
4087	ENDDO
4088	ELSE
4089	!
4090	!-- For now species not deposited
4091	CYCLE
4092	ENDIF
4093
4094	!
4095	!-- Factor used for conversion from ppb to ug/m3 :
4096	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4097	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4098	! c 1e-9 xm_tracer 1e9 / xm_air dens
4099	!-- thus:
4100	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4101	!-- Use density at k:
4102
4103	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp ! (mole air)/m3
4104
4105	!
4106	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4107	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4108	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
4109
4110	!
4111	!-- Diffusivity for DEPAC relevant gases
4112	!-- Use default value
4113	diffc = 0.11e-4
4114	!
4115	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4116	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
4117	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
4118	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
4119	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
4120	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
4121	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
4122	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
4123
4124
4125	!
4126	!-- Get quasi-laminar boundary layer resistance Rb:
4127	CALL get_rb_cell( (lug_dep == ilu_water_sea) .OR. (lug_dep == ilu_water_inland), &
4128	z0h_lu, ustar_lu, diffc, &
4129	Rb )
4130
4131
4132	!
4133	!-- Get Rc_tot
4134	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
4135	relh, lai, sai, nwet, lug_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
4136	r_aero_lu , Rb )
4137
4138
4139	!
4140	!-- Calculate budget
4141	IF ( Rc_tot <= 0.0 ) THEN
4142
4143	bud_now_lug(lsp) = 0.0_wp
4144
4145	ELSE
4146
4147	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
4148
4149	bud_now_lug(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
4150	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4151	ENDIF
4152
4153
4154	ENDIF
4155	ENDDO
4156	ENDIF
4157
4158
4159	!
4160	!-- Windows
4161	IF ( surf_usm_h%frac(ind_wat_win,m) > 0 ) THEN
4162
4163
4164	!
4165	!-- No vegetation on windows:
4166	lai = 0.0_wp
4167	sai = 0.0_wp
4168
4169	slinnfac = 1.0_wp
4170
4171	!
4172	!-- Get vd
4173	DO lsp = 1, nvar
4174	!
4175	!-- Initialize
4176	vs = 0.0_wp
4177	vd_lu = 0.0_wp
4178	Rs = 0.0_wp
4179	Rb = 0.0_wp
4180	Rc_tot = 0.0_wp
4181	IF ( spc_names(lsp) == 'PM10' ) THEN
4182	part_type = 1
4183	!
4184	!-- Sedimentation velocity
4185	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4186	particle_pars(ind_p_size, part_type), &
4187	particle_pars(ind_p_slip, part_type), &
4188	visc)
4189
4190	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4191	vs, &
4192	particle_pars(ind_p_size, part_type), &
4193	particle_pars(ind_p_slip, part_type), &
4194	nwet, ttemp, dens, visc, &
4195	lud_dep, &
4196	r_aero_lu, ustar_lu )
4197
4198	bud_now_lud(lsp) = - cc(lsp) * &
4199	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4200
4201
4202	ELSEIF ( spc_names(lsp) == 'PM25' ) THEN
4203	part_type = 2
4204	!
4205	!-- Sedimentation velocity
4206	vs = slinnfac * sedimentation_velocity( particle_pars(ind_p_dens, part_type), &
4207	particle_pars(ind_p_size, part_type), &
4208	particle_pars(ind_p_slip, part_type), &
4209	visc)
4210
4211
4212	CALL drydepo_aero_zhang_vd( vd_lu, Rs, &
4213	vs, &
4214	particle_pars(ind_p_size, part_type), &
4215	particle_pars(ind_p_slip, part_type), &
4216	nwet, ttemp, dens, visc, &
4217	lud_dep, &
4218	r_aero_lu, ustar_lu )
4219
4220	bud_now_lud(lsp) = - cc(lsp) * &
4221	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4222
4223
4224	ELSE !< GASES
4225
4226	!
4227	!-- Read spc_name of current species for gas PARAMETER
4228
4229	IF ( ANY( pspecnames(:) == spc_names(lsp) ) ) THEN
4230	i_pspec = 0
4231	DO pspec = 1, nposp
4232	IF ( pspecnames(pspec) == spc_names(lsp) ) THEN
4233	i_pspec = pspec
4234	END IF
4235	ENDDO
4236	ELSE
4237	! For now species not deposited
4238	CYCLE
4239	ENDIF
4240
4241	!
4242	!-- Factor used for conversion from ppb to ug/m3 :
4243	! ppb (mole tr)/(mole air)/ppb (kg tr)/(mole tr) (ug tr)/(kg tr) &
4244	! (mole air)/(kg air) (kg air)/(m3 air) (kg air(ug/m3)/ppb/(kg/mole) = / (kg/mole)
4245	! c 1e-9 xm_tracer 1e9 / xm_air dens
4246	!-- thus:
4247	! c_in_ppb * xm_tracer * [ dens / xm_air ] = c_in_ugm3
4248	!-- Use density at k:
4249
4250	ppm_to_ugm3 = (dens/xm_air) * 0.001_wp ! (mole air)/m3
4251
4252	!
4253	!-- Atmospheric concentration in DEPAC is requested in ug/m3:
4254	! ug/m3 ppm (ug/m3)/ppm/(kg/mole) kg/mole
4255	catm = cc(lsp) * ppm_to_ugm3 * specmolm(i_pspec) ! in ug/m3
4256
4257	!
4258	!-- Diffusivity for DEPAC relevant gases
4259	!-- Use default value
4260	diffc = 0.11e-4
4261	!
4262	!-- overwrite with known coefficients of diffusivity from Massman (1998)
4263	IF ( spc_names(lsp) == 'NO2' ) diffc = 0.136e-4
4264	IF ( spc_names(lsp) == 'NO' ) diffc = 0.199e-4
4265	IF ( spc_names(lsp) == 'O3' ) diffc = 0.144e-4
4266	IF ( spc_names(lsp) == 'CO' ) diffc = 0.176e-4
4267	IF ( spc_names(lsp) == 'SO2' ) diffc = 0.112e-4
4268	IF ( spc_names(lsp) == 'CH4' ) diffc = 0.191e-4
4269	IF ( spc_names(lsp) == 'NH3' ) diffc = 0.191e-4
4270
4271
4272	!
4273	!-- Get quasi-laminar boundary layer resistance Rb:
4274	CALL get_rb_cell( (lud_dep == ilu_water_sea) .OR. (lud_dep == ilu_water_inland), &
4275	z0h_lu, ustar_lu, diffc, &
4276	Rb )
4277
4278	!
4279	!-- Get Rc_tot
4280	CALL drydepos_gas_depac( spc_names(lsp), day_of_year, latitude, ts, ustar_lu, glrad, zenith(0), &
4281	relh, lai, sai, nwet, lud_dep, 2, Rc_tot, ccomp_tot(lsp), hyp(nzb), catm, diffc, &
4282	r_aero_lu , Rb )
4283
4284
4285	!
4286	!-- Calculate budget
4287	IF ( Rc_tot <= 0.0 ) THEN
4288
4289	bud_now_lud(lsp) = 0.0_wp
4290
4291	ELSE
4292
4293	vd_lu = 1.0_wp / (r_aero_lu + Rb + Rc_tot )
4294
4295	bud_now_lud(lsp) = - (cc(lsp) - ccomp_tot(lsp)) * &
4296	(1.0_wp - exp(-vd_lu * dt_dh )) * dh
4297	ENDIF
4298
4299	ENDIF
4300	ENDDO
4301	ENDIF
4302
4303
4304	bud_now = 0.0_wp
4305	!
4306	!-- Calculate overall budget for surface m and adapt concentration
4307	DO lsp = 1, nspec
4308
4309
4310	bud_now(lsp) = surf_usm_h%frac(ind_veg_wall,m) * bud_now_luu(lsp) + &
4311	surf_usm_h%frac(ind_pav_green,m) * bud_now_lug(lsp) + &
4312	surf_usm_h%frac(ind_wat_win,m) * bud_now_lud(lsp)
4313
4314	!
4315	!-- Compute new concentration
4316	cc(lsp) = cc(lsp) + bud_now(lsp) * inv_dh
4317
4318	chem_species(lsp)%conc(k,j,i) = MAX( 0.0_wp, cc(lsp) )
4319
4320	ENDDO
4321
4322	ENDIF
4323
4324
4325
4326	END SUBROUTINE chem_depo
4327
4328
4329
4330	!----------------------------------------------------------------------------------
4331	!
4332	!> DEPAC:
4333	!> Code of the DEPAC routine and corresponding subroutines below from the DEPAC
4334	!> module of the LOTOS-EUROS model (Manders et al., 2017)
4335	!
4336	!> Original DEPAC routines by RIVM and TNO (2015), for Documentation see
4337	!> van Zanten et al., 2010.
4338	!---------------------------------------------------------------------------------
4339	!
4340	!----------------------------------------------------------------------------------
4341	!
4342	!> depac: compute total canopy (or surface) resistance Rc for gases
4343	!----------------------------------------------------------------------------------
4344
4345	SUBROUTINE drydepos_gas_depac( compnam, day_of_year, lat, t, ust, glrad, sinphi, &
4346	rh, lai, sai, nwet, lu, iratns, rc_tot, ccomp_tot, p, catm, diffc, &
4347	ra, rb )
4348
4349
4350	!
4351	!--Some of depac arguments are OPTIONAL:
4352	!
4353	!-- A. compute Rc_tot without compensation points (ccomp_tot will be zero):
4354	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi])
4355	!
4356	!-- B. compute Rc_tot with compensation points (used for LOTOS-EUROS):
4357	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4358	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water)
4359	!
4360	!-- C. compute effective Rc based on compensation points (used for OPS):
4361	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4362	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4363	! ra, rb, rc_eff)
4364	!-- X1. Extra (OPTIONAL) output variables:
4365	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4366	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4367	! ra, rb, rc_eff, &
4368	! gw_out, gstom_out, gsoil_eff_out, cw_out, cstom_out, csoil_out, lai_out, sai_out)
4369	!-- X2. Extra (OPTIONAL) needed for stomatal ozone flux calculation (only sunlit leaves):
4370	!-- CALL depac (compnam, day_of_year, lat, t, ust, glrad, sinphi, rh, nwet, lu, iratns, rc_tot, ccomp_tot, [smi], &
4371	! c_ave_prev_nh3, c_ave_prev_so2, catm, gamma_soil_water, &
4372	! ra, rb, rc_eff, &
4373	! gw_out, gstom_out, gsoil_eff_out, cw_out, cstom_out, csoil_out, lai_out, sai_out, &
4374	! calc_stom_o3flux, frac_sto_o3_lu, fac_surface_area_2_PLA)
4375
4376
4377	IMPLICIT NONE
4378
4379	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4380	!< 'HNO3','NO','NO2','O3','SO2','NH3'
4381	INTEGER(iwp), INTENT(IN) :: day_of_year !< day of year, 1 ... 365 (366)
4382	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4383	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4384	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio used for SO2:
4385	!< iratns = 1: low NH3/SO2
4386	!< iratns = 2: high NH3/SO2
4387	!< iratns = 3: very low NH3/SO2
4388	REAL(wp), INTENT(IN) :: lat !< latitude Northern hemisphere (degrees) (S. hemisphere not possible)
4389	REAL(wp), INTENT(IN) :: t !< temperature (C)
4390	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
4391	REAL(wp), INTENT(IN) :: glrad !< global radiation (W/m2)
4392	REAL(wp), INTENT(IN) :: sinphi !< sin of solar elevation angle
4393	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4394	REAL(wp), INTENT(IN) :: lai !< one-sidedleaf area index (-)
4395	REAL(wp), INTENT(IN) :: sai !< surface area index (-) (lai + branches and stems)
4396	REAL(wp), INTENT(IN) :: diffc !< diffusivity
4397	REAL(wp), INTENT(IN) :: p !< pressure (Pa)
4398	REAL(wp), INTENT(IN) :: catm !< actual atmospheric concentration (ug/m3)
4399	REAL(wp), INTENT(IN) :: ra !< aerodynamic resistance (s/m)
4400	REAL(wp), INTENT(IN) :: rb !< boundary layer resistance (s/m)
4401
4402	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
4403	REAL(wp), INTENT(OUT) :: ccomp_tot !< total compensation point (ug/m3)
4404	!< [= 0 for species that don't have a compensation
4405
4406	!
4407	!-- Local variables:
4408	!
4409	!-- Component number taken from component name, paramteres matched with include files
4410	INTEGER(iwp) :: icmp
4411
4412	!
4413	!-- Component numbers:
4414	INTEGER(iwp), PARAMETER :: icmp_o3 = 1
4415	INTEGER(iwp), PARAMETER :: icmp_so2 = 2
4416	INTEGER(iwp), PARAMETER :: icmp_no2 = 3
4417	INTEGER(iwp), PARAMETER :: icmp_no = 4
4418	INTEGER(iwp), PARAMETER :: icmp_nh3 = 5
4419	INTEGER(iwp), PARAMETER :: icmp_co = 6
4420	INTEGER(iwp), PARAMETER :: icmp_no3 = 7
4421	INTEGER(iwp), PARAMETER :: icmp_hno3 = 8
4422	INTEGER(iwp), PARAMETER :: icmp_n2o5 = 9
4423	INTEGER(iwp), PARAMETER :: icmp_h2o2 = 10
4424
4425	LOGICAL :: ready !< Rc has been set:
4426	!< = 1 -> constant Rc
4427	!< = 2 -> temperature dependent Rc
4428	!
4429	!-- Vegetation indicators:
4430	LOGICAL :: lai_present !< leaves are present for current land use type
4431	LOGICAL :: sai_present !< vegetation is present for current land use type
4432
4433	REAL(wp) :: laimax !< maximum leaf area index (-)
4434	REAL(wp) :: gw !< external leaf conductance (m/s)
4435	REAL(wp) :: gstom !< stomatal conductance (m/s)
4436	REAL(wp) :: gsoil_eff !< effective soil conductance (m/s)
4437	REAL(wp) :: gc_tot !< total canopy conductance (m/s)
4438	REAL(wp) :: cw !< external leaf surface compensation point (ug/m3)
4439	REAL(wp) :: cstom !< stomatal compensation point (ug/m3)
4440	REAL(wp) :: csoil !< soil compensation point (ug/m3)
4441
4442
4443
4444	!
4445	!-- Define component number
4446	SELECT CASE ( TRIM( compnam ) )
4447
4448	CASE ( 'O3', 'o3' )
4449	icmp = icmp_o3
4450
4451	CASE ( 'SO2', 'so2' )
4452	icmp = icmp_so2
4453
4454	CASE ( 'NO2', 'no2' )
4455	icmp = icmp_no2
4456
4457	CASE ( 'NO', 'no' )
4458	icmp = icmp_no
4459
4460	CASE ( 'NH3', 'nh3' )
4461	icmp = icmp_nh3
4462
4463	CASE ( 'CO', 'co' )
4464	icmp = icmp_co
4465
4466	CASE ( 'NO3', 'no3' )
4467	icmp = icmp_no3
4468
4469	CASE ( 'HNO3', 'hno3' )
4470	icmp = icmp_hno3
4471
4472	CASE ( 'N2O5', 'n2o5' )
4473	icmp = icmp_n2o5
4474
4475	CASE ( 'H2O2', 'h2o2' )
4476	icmp = icmp_h2o2
4477
4478	CASE default
4479	!
4480	!-- Component not part of DEPAC --> not deposited
4481	RETURN
4482
4483	END SELECT
4484
4485	!
4486	!-- Inititalize
4487	gw = 0.0_wp
4488	gstom = 0.0_wp
4489	gsoil_eff = 0.0_wp
4490	gc_tot = 0.0_wp
4491	cw = 0.0_wp
4492	cstom = 0.0_wp
4493	csoil = 0.0_wp
4494
4495
4496	!
4497	!-- Check whether vegetation is present:
4498	lai_present = ( lai > 0.0 )
4499	sai_present = ( sai > 0.0 )
4500
4501	!
4502	!-- Set Rc (i.e. rc_tot) in special cases:
4503	CALL rc_special( icmp, compnam, lu, t, nwet, rc_tot, ready, ccomp_tot )
4504
4505	!
4506	!-- If Rc is not set:
4507	IF ( .NOT. ready ) then
4508
4509	!
4510	!-- External conductance:
4511	CALL rc_gw( compnam, iratns, t, rh, nwet, sai_present, sai,gw )
4512
4513	!
4514	!-- Stomatal conductance:
4515	CALL rc_gstom( icmp, compnam, lu, lai_present, lai, glrad, sinphi, t, rh, diffc, gstom, p )
4516	!
4517	!-- Effective soil conductance:
4518	CALL rc_gsoil_eff( icmp, lu, sai, ust, nwet, t, gsoil_eff )
4519
4520	!
4521	!-- Total canopy conductance (gc_tot) and resistance Rc (rc_tot):
4522	CALL rc_rctot( gstom, gsoil_eff, gw, gc_tot, rc_tot )
4523
4524	!
4525	!-- Needed to include compensation point for NH3
4526	!-- Compensation points (always returns ccomp_tot; currently ccomp_tot != 0 only for NH3):
4527	!-- CALL rc_comp_point( compnam,lu,day_of_year,t,gw,gstom,gsoil_eff,gc_tot,&
4528	! lai_present, sai_present, &
4529	! ccomp_tot, &
4530	! catm=catm,c_ave_prev_nh3=c_ave_prev_nh3, &
4531	! c_ave_prev_so2=c_ave_prev_so2,gamma_soil_water=gamma_soil_water, &
4532	! tsea=tsea,cw=cw,cstom=cstom,csoil=csoil )
4533	!
4534	!-- Effective Rc based on compensation points:
4535	! IF ( present(rc_eff) ) then
4536	! check on required arguments:
4537	! IF ( (.not. present(catm)) .OR. (.not. present(ra)) .OR. (.not. present(rb)) ) then
4538	! stop 'output argument rc_eff requires input arguments catm, ra and rb'
4539	! END IF
4540	!-- Compute rc_eff :
4541	! CALL rc_comp_point_rc_eff(ccomp_tot,catm,ra,rb,rc_tot,rc_eff)
4542	! ENDIF
4543	ENDIF
4544
4545	END SUBROUTINE drydepos_gas_depac
4546
4547
4548
4549	!-------------------------------------------------------------------
4550	!> rc_special: compute total canopy resistance in special CASEs
4551	!-------------------------------------------------------------------
4552	SUBROUTINE rc_special( icmp, compnam, lu, t, nwet, rc_tot, ready, ccomp_tot )
4553
4554	IMPLICIT NONE
4555
4556	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4557
4558	INTEGER(iwp), INTENT(IN) :: icmp !< component index
4559	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4560	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4561
4562	REAL(wp), INTENT(IN) :: t !< temperature (C)
4563
4564	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
4565	REAL(wp), INTENT(OUT) :: ccomp_tot !< total compensation point (ug/m3)
4566
4567	LOGICAL, INTENT(OUT) :: ready !< Rc has been set
4568	!< = 1 -> constant Rc
4569	!< = 2 -> temperature dependent Rc
4570
4571	!
4572	!-- rc_tot is not yet set:
4573	ready = .FALSE.
4574
4575	!
4576	!-- Default compensation point in special CASEs = 0:
4577	ccomp_tot = 0.0_wp
4578
4579	SELECT CASE( TRIM( compnam ) )
4580	CASE( 'HNO3', 'N2O5', 'NO3', 'H2O2' )
4581	!
4582	!-- No separate resistances for HNO3; just one total canopy resistance:
4583	IF ( t < -5.0_wp .AND. nwet == 9 ) THEN
4584	!
4585	!-- T < 5 C and snow:
4586	rc_tot = 50.0_wp
4587	ELSE
4588	!
4589	!-- all other circumstances:
4590	rc_tot = 10.0_wp
4591	ENDIF
4592	ready = .TRUE.
4593
4594	CASE( 'NO', 'CO' )
4595	IF ( lu == ilu_water_sea .OR. lu == ilu_water_inland ) THEN ! water
4596	rc_tot = 2000.0_wp
4597	ready = .TRUE.
4598	ELSEIF ( nwet == 1 ) THEN !< wet
4599	rc_tot = 2000.0_wp
4600	ready = .TRUE.
4601	ENDIF
4602	CASE( 'NO2', 'O3', 'SO2', 'NH3' )
4603	!
4604	!-- snow surface:
4605	IF ( nwet == 9 ) THEN
4606	!
4607	!-- To be activated when snow is implemented
4608	!CALL rc_snow(ipar_snow(icmp),t,rc_tot)
4609	ready = .TRUE.
4610	ENDIF
4611	CASE default
4612	message_string = 'Component '// TRIM( compnam ) // ' not supported'
4613	CALL message( 'rc_special', 'CM0457', 1, 2, 0, 6, 0 )
4614	END SELECT
4615
4616	END SUBROUTINE rc_special
4617
4618
4619
4620	!-------------------------------------------------------------------
4621	!> rc_gw: compute external conductance
4622	!-------------------------------------------------------------------
4623	SUBROUTINE rc_gw( compnam, iratns, t, rh, nwet, sai_present, sai, gw )
4624
4625	IMPLICIT NONE
4626
4627	!
4628	!-- Input/output variables:
4629	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4630
4631	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4632	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio;
4633	!< iratns = 1: low NH3/SO2
4634	!< iratns = 2: high NH3/SO2
4635	!< iratns = 3: very low NH3/SO2
4636
4637	LOGICAL, INTENT(IN) :: sai_present
4638
4639	REAL(wp), INTENT(IN) :: t !< temperature (C)
4640	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4641	REAL(wp), INTENT(IN) :: sai !< one-sided leaf area index (-)
4642
4643	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4644
4645
4646	SELECT CASE( TRIM( compnam ) )
4647
4648	CASE( 'NO2' )
4649	CALL rw_constant( 2000.0_wp, sai_present, gw )
4650
4651	CASE( 'NO', 'CO' )
4652	CALL rw_constant( -9999.0_wp, sai_present, gw ) !< see Erisman et al, 1994 section 3.2.3
4653
4654	CASE( 'O3' )
4655	CALL rw_constant( 2500.0_wp, sai_present, gw )
4656
4657	CASE( 'SO2' )
4658	CALL rw_so2( t, nwet, rh, iratns, sai_present, gw )
4659
4660	CASE( 'NH3' )
4661	CALL rw_nh3_sutton( t, rh, sai_present, gw )
4662
4663	!
4664	!-- conversion from leaf resistance to canopy resistance by multiplying with sai:
4665	gw = sai * gw
4666
4667	CASE default
4668	message_string = 'Component '// TRIM(compnam) // ' not supported'
4669	CALL message( 'rc_gw', 'CM0458', 1, 2, 0, 6, 0 )
4670	END SELECT
4671
4672	END SUBROUTINE rc_gw
4673
4674
4675
4676	!-------------------------------------------------------------------
4677	!> rw_so2: compute external leaf conductance for SO2
4678	!-------------------------------------------------------------------
4679	SUBROUTINE rw_so2( t, nwet, rh, iratns, sai_present, gw )
4680
4681	IMPLICIT NONE
4682
4683	!
4684	!-- Input/output variables:
4685	INTEGER(iwp), INTENT(IN) :: nwet !< wetness indicator; nwet=0 -> dry; nwet=1 -> wet; nwet=9 -> snow
4686	INTEGER(iwp), INTENT(IN) :: iratns !< index for NH3/SO2 ratio:
4687	!< iratns = 1: low NH3/SO2
4688	!< iratns = 2: high NH3/SO2
4689	!< iratns = 3: very low NH3/SO2
4690	LOGICAL, INTENT(IN) :: sai_present
4691
4692	REAL(wp), INTENT(IN) :: t !< temperature (C)
4693	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4694
4695	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4696
4697	!
4698	!-- Local variables:
4699	REAL(wp) :: rw !< external leaf resistance (s/m)
4700
4701
4702	!
4703	!-- Check if vegetation present:
4704	IF ( sai_present ) THEN
4705
4706	IF ( nwet == 0 ) THEN
4707	!--------------------------
4708	! dry surface
4709	!--------------------------
4710	! T > -1 C
4711	IF ( t > -1.0_wp ) THEN
4712	IF ( rh < 81.3_wp ) THEN
4713	rw = 25000.0_wp * exp( -0.0693_wp * rh )
4714	ELSE
4715	rw = 0.58e12 * exp( -0.278_wp * rh ) + 10.0_wp
4716	ENDIF
4717	ELSE
4718	! -5 C < T <= -1 C
4719	IF ( t > -5.0_wp ) THEN
4720	rw = 200.0_wp
4721	ELSE
4722	! T <= -5 C
4723	rw = 500.0_wp
4724	ENDIF
4725	ENDIF
4726	ELSE
4727	!--------------------------
4728	! wet surface
4729	!--------------------------
4730	rw = 10.0_wp !see Table 5, Erisman et al, 1994 Atm. Environment, 0 is impl. as 10
4731	ENDIF
4732
4733	! very low NH3/SO2 ratio:
4734	IF ( iratns == iratns_very_low ) rw = rw + 50.0_wp
4735
4736	! Conductance:
4737	gw = 1.0_wp / rw
4738	ELSE
4739	! no vegetation:
4740	gw = 0.0_wp
4741	ENDIF
4742
4743	END SUBROUTINE rw_so2
4744
4745
4746
4747	!-------------------------------------------------------------------
4748	!> rw_nh3_sutton: compute external leaf conductance for NH3,
4749	!> following Sutton & Fowler, 1993
4750	!-------------------------------------------------------------------
4751	SUBROUTINE rw_nh3_sutton( tsurf, rh,sai_present, gw )
4752
4753	IMPLICIT NONE
4754
4755	!
4756	!-- Input/output variables:
4757	LOGICAL, INTENT(IN) :: sai_present
4758
4759	REAL(wp), INTENT(IN) :: tsurf !< surface temperature (C)
4760	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4761
4762	REAL(wp), INTENT(OUT) :: gw !< external leaf conductance (m/s)
4763
4764	!
4765	!-- Local variables:
4766	REAL(wp) :: rw !< external leaf resistance (s/m)
4767	REAL(wp) :: sai_grass_haarweg !< surface area index at experimental site Haarweg
4768
4769	!
4770	!-- Fix sai_grass at value valid for Haarweg data for which gamma_w parametrization is derived
4771	sai_grass_haarweg = 3.5_wp
4772
4773	!
4774	!-- Calculation rw:
4775	! 100 - rh
4776	! rw = 2.0 * exp(----------)
4777	! 12
4778
4779	IF ( sai_present ) THEN
4780
4781	! External resistance according to Sutton & Fowler, 1993
4782	rw = 2.0_wp * exp( ( 100.0_wp - rh ) / 12.0_wp )
4783	rw = sai_grass_haarweg * rw
4784
4785	! Frozen soil (from Depac v1):
4786	IF ( tsurf < 0.0_wp ) rw = 200.0_wp
4787
4788	! Conductance:
4789	gw = 1.0_wp / rw
4790	ELSE
4791	! no vegetation:
4792	gw = 0.0_wp
4793	ENDIF
4794
4795	END SUBROUTINE rw_nh3_sutton
4796
4797
4798
4799	!-------------------------------------------------------------------
4800	!> rw_constant: compute constant external leaf conductance
4801	!-------------------------------------------------------------------
4802	SUBROUTINE rw_constant( rw_val, sai_present, gw )
4803
4804	IMPLICIT NONE
4805
4806	!
4807	!-- Input/output variables:
4808	LOGICAL, INTENT(IN) :: sai_present
4809
4810	REAL(wp), INTENT(IN) :: rw_val !< constant value of Rw
4811
4812	REAL(wp), INTENT(OUT) :: gw !< wernal leaf conductance (m/s)
4813
4814	!
4815	!-- Compute conductance:
4816	IF ( sai_present .AND. .NOT.missing(rw_val) ) THEN
4817	gw = 1.0_wp / rw_val
4818	ELSE
4819	gw = 0.0_wp
4820	ENDIF
4821
4822	END SUBROUTINE rw_constant
4823
4824
4825
4826	!-------------------------------------------------------------------
4827	!> rc_gstom: compute stomatal conductance
4828	!-------------------------------------------------------------------
4829	SUBROUTINE rc_gstom( icmp, compnam, lu, lai_present, lai, glrad, sinphi, t, rh, diffc, gstom, p )
4830
4831	IMPLICIT NONE
4832
4833	!
4834	!-- input/output variables:
4835	CHARACTER(len=*), INTENT(IN) :: compnam !< component name
4836
4837	INTEGER(iwp), INTENT(IN) :: icmp !< component index
4838	INTEGER(iwp), INTENT(IN) :: lu !< land use type , lu = 1,...,nlu
4839
4840	LOGICAL, INTENT(IN) :: lai_present
4841
4842	REAL(wp), INTENT(IN) :: lai !< one-sided leaf area index
4843	REAL(wp), INTENT(IN) :: glrad !< global radiation (W/m2)
4844	REAL(wp), INTENT(IN) :: sinphi !< sin of solar elevation angle
4845	REAL(wp), INTENT(IN) :: t !< temperature (C)
4846	REAL(wp), INTENT(IN) :: rh !< relative humidity (%)
4847	REAL(wp), INTENT(IN) :: diffc !< diffusion coefficient of the gas involved
4848
4849	REAL(wp), OPTIONAL,INTENT(IN) :: p !< pressure (Pa)
4850
4851	REAL(wp), INTENT(OUT) :: gstom !< stomatal conductance (m/s)
4852
4853	!
4854	!-- Local variables
4855	REAL(wp) :: vpd !< vapour pressure deficit (kPa)
4856
4857	REAL(wp), PARAMETER :: dO3 = 0.13e-4 !< diffusion coefficient of ozon (m2/s)
4858
4859
4860	SELECT CASE( TRIM(compnam) )
4861
4862	CASE( 'NO', 'CO' )
4863	!
4864	!-- For no stomatal uptake is neglected:
4865	gstom = 0.0_wp
4866
4867	CASE( 'NO2', 'O3', 'SO2', 'NH3' )
4868
4869	!
4870	!-- if vegetation present:
4871	IF ( lai_present ) THEN
4872
4873	IF ( glrad > 0.0_wp ) THEN
4874	CALL rc_get_vpd( t, rh, vpd )
4875	CALL rc_gstom_emb( lu, glrad, t, vpd, lai_present, lai, sinphi, gstom, p )
4876	gstom = gstom * diffc / dO3 !< Gstom of Emberson is derived for ozone
4877	ELSE
4878	gstom = 0.0_wp
4879	ENDIF
4880	ELSE
4881	!
4882	!--no vegetation; zero conductance (infinite resistance):
4883	gstom = 0.0_wp
4884	ENDIF
4885
4886	CASE default
4887	message_string = 'Component '// TRIM(compnam) // ' not supported'
4888	CALL message( 'rc_gstom', 'CM0459', 1, 2, 0, 6, 0 )
4889	END SELECT
4890
4891	END SUBROUTINE rc_gstom
4892
4893
4894
4895	!-------------------------------------------------------------------
4896	!> rc_gstom_emb: stomatal conductance according to Emberson
4897	!-------------------------------------------------------------------
4898	SUBROUTINE rc_gstom_emb( lu, glrad, T, vpd, lai_present, lai, sinp, Gsto, p )
4899	!
4900	!-- History
4901	!> Original code from Lotos-Euros, TNO, M. Schaap
4902	!> 2009-08, M.C. van Zanten, Rivm
4903	!> Updated and extended.
4904	!> 2009-09, Arjo Segers, TNO
4905	!> Limitted temperature influence to range to avoid
4906	!> floating point exceptions.
4907	!
4908	!> Method
4909	!
4910	!> Code based on Emberson et al, 2000, Env. Poll., 403-413
4911	!> Notation conform Unified EMEP Model Description Part 1, ch 8
4912	!
4913	!> In the calculation of f_light the modification of L. Zhang 2001, AE to the PARshade and PARsun
4914	!> parametrizations of Norman 1982 are applied
4915	!
4916	!> f_phen and f_SWP are set to 1
4917	!
4918	!> Land use types DEPAC versus Emberson (Table 5.1, EMEP model description)
4919	!> DEPAC Emberson
4920	!> 1 = grass GR = grassland
4921	!> 2 = arable land TC = temperate crops ( lai according to RC = rootcrops)
4922	!< 3 = permanent crops TC = temperate crops ( lai according to RC = rootcrops)
4923	!< 4 = coniferous forest CF = tempareate/boREAL(wp) coniferous forest
4924	!> 5 = deciduous forest DF = temperate/boREAL(wp) deciduous forest
4925	!> 6 = water W = water
4926	!> 7 = urban U = urban
4927	!> 8 = other GR = grassland
4928	!> 9 = desert DE = desert
4929
4930	IMPLICIT NONE
4931
4932	!
4933	!-- Emberson specific declarations
4934
4935	!
4936	!-- Input/output variables:
4937	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,...,nlu
4938
4939	LOGICAL, INTENT(IN) :: lai_present
4940
4941	REAL(wp), INTENT(IN) :: glrad !< global radiation (W/m2)
4942	REAL(wp), INTENT(IN) :: t !< temperature (C)
4943	REAL(wp), INTENT(IN) :: vpd !< vapour pressure deficit (kPa)
4944
4945	REAL(wp), INTENT(IN) :: lai !< one-sided leaf area index
4946	REAL(wp), INTENT(IN) :: sinp !< sin of solar elevation angle
4947
4948	REAL(wp), OPTIONAL, INTENT(IN) :: p !< pressure (Pa)
4949
4950	REAL(wp), INTENT(OUT) :: gsto !< stomatal conductance (m/s)
4951
4952	!
4953	!-- Local variables:
4954	REAL(wp) :: f_light
4955	REAL(wp) :: f_phen
4956	REAL(wp) :: f_temp
4957	REAL(wp) :: f_vpd
4958	REAL(wp) :: f_swp
4959	REAL(wp) :: bt
4960	REAL(wp) :: f_env
4961	REAL(wp) :: pardir
4962	REAL(wp) :: pardiff
4963	REAL(wp) :: parshade
4964	REAL(wp) :: parsun
4965	REAL(wp) :: laisun
4966	REAL(wp) :: laishade
4967	REAL(wp) :: sinphi
4968	REAL(wp) :: pres
4969	REAL(wp), PARAMETER :: p_sealevel = 1.01325e05 !< Pa
4970
4971
4972	!
4973	!-- Check whether vegetation is present:
4974	IF ( lai_present ) THEN
4975
4976	! calculation of correction factors for stomatal conductance
4977	IF ( sinp <= 0.0_wp ) THEN
4978	sinphi = 0.0001_wp
4979	ELSE
4980	sinphi = sinp
4981	END IF
4982
4983	!
4984	!-- ratio between actual and sea-level pressure is used
4985	!-- to correct for height in the computation of par;
4986	!-- should not exceed sea-level pressure therefore ...
4987	IF ( present(p) ) THEN
4988	pres = min( p, p_sealevel )
4989	ELSE
4990	pres = p_sealevel
4991	ENDIF
4992
4993	!
4994	!-- direct and diffuse par, Photoactive (=visible) radiation:
4995	CALL par_dir_diff( glrad, sinphi, pres, p_sealevel, pardir, pardiff )
4996
4997	!
4998	!-- par for shaded leaves (canopy averaged):
4999	parshade = pardiff * exp( -0.5 * lai*0.7 ) + 0.07 pardir * ( 1.1 - 0.1 * lai ) * exp( -sinphi ) !< Norman,1982
5000	IF ( glrad > 200.0_wp .AND. lai > 2.5_wp ) THEN
5001	parshade = pardiff * exp( -0.5 * lai*0.8 ) + 0.07 pardir * ( 1.1 - 0.1 * lai ) * exp( -sinphi ) !< Zhang et al., 2001
5002	END IF
5003
5004	!
5005	!-- par for sunlit leaves (canopy averaged):
5006	!-- alpha -> mean angle between leaves and the sun is fixed at 60 deg -> i.e. cos alpha = 0.5
5007	parsun = pardir * 0.5/sinphi + parshade !< Norman, 1982
5008	IF ( glrad > 200.0_wp .AND. lai > 2.5_wp ) THEN
5009	parsun = pardir*0.8 0.5 / sinphi + parshade !< Zhang et al., 2001
5010	END IF
5011
5012	!
5013	!-- leaf area index for sunlit and shaded leaves:
5014	IF ( sinphi > 0 ) THEN
5015	laisun = 2 * sinphi * ( 1 - exp( -0.5 * lai / sinphi ) )
5016	laishade = lai - laisun
5017	ELSE
5018	laisun = 0
5019	laishade = lai
5020	END IF
5021
5022	f_light = ( laisun * ( 1 - exp( -1.0_wp * alpha(lu) * parsun ) ) + &
5023	laishade * ( 1 - exp( -1.0_wp * alpha(lu) * parshade ) ) ) / lai
5024
5025	f_light = MAX(f_light,f_min(lu))
5026
5027	!
5028	!-- temperature influence; only non-zero within range [tmin,tmax]:
5029	IF ( ( tmin(lu) < t ) .AND. ( t < tmax(lu) ) ) THEN
5030	bt = ( tmax(lu) - topt(lu) ) / ( topt(lu) - tmin(lu) )
5031	f_temp = ( ( t - tmin(lu) ) / ( topt(lu) - tmin(lu) ) ) * ( ( tmax(lu) - t ) / ( tmax(lu) - topt(lu) ) )**bt
5032	ELSE
5033	f_temp = 0.0_wp
5034	END IF
5035	f_temp = MAX( f_temp, f_min(lu) )
5036
5037	! vapour pressure deficit influence
5038	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) ) )
5039	f_vpd = MAX( f_vpd, f_min(lu) )
5040
5041	f_swp = 1.0_wp
5042
5043	! influence of phenology on stom. conductance
5044	! ignored for now in DEPAC since influence of f_phen on lu classes in use is negligible.
5045	! When other EMEP classes (e.g. med. broadleaf) are used f_phen might be too important to ignore
5046	f_phen = 1.0_wp
5047
5048	! evaluate total stomatal conductance
5049	f_env = f_temp * f_vpd * f_swp
5050	f_env = MAX( f_env,f_min(lu) )
5051	gsto = g_max(lu) * f_light * f_phen * f_env
5052
5053	! gstom expressed per m2 leafarea;
5054	! this is converted with lai to m2 surface.
5055	gsto = lai * gsto ! in m/s
5056
5057	ELSE
5058	gsto = 0.0_wp
5059	ENDIF
5060
5061	END SUBROUTINE rc_gstom_emb
5062
5063
5064
5065	!-------------------------------------------------------------------
5066	!> par_dir_diff
5067	!
5068	!> Weiss, A., Norman, J.M. (1985) Partitioning solar radiation into direct and
5069	!> diffuse, visible and near-infrared components. Agric. Forest Meteorol.
5070	!> 34, 205-213.
5071	!
5072	!> From a SUBROUTINE obtained from Leiming Zhang,
5073	!> Meteorological Service of Canada
5074	!
5075	!> Leiming uses solar irradiance. This should be equal to global radiation and
5076	!> Willem Asman set it to global radiation
5077	!>
5078	!> @todo Check/connect/replace with radiation_model_mod variables
5079	!-------------------------------------------------------------------
5080	SUBROUTINE par_dir_diff( glrad, sinphi, pres, pres_0, par_dir, par_diff )
5081
5082	IMPLICIT NONE
5083
5084	REAL(wp), INTENT(IN) :: glrad !< global radiation (W m-2)
5085	REAL(wp), INTENT(IN) :: sinphi !< sine of the solar elevation
5086	REAL(wp), INTENT(IN) :: pres !< actual pressure (to correct for height) (Pa)
5087	REAL(wp), INTENT(IN) :: pres_0 !< pressure at sea level (Pa)
5088
5089	REAL(wp), INTENT(OUT) :: par_dir !< par direct : visible (photoactive) direct beam radiation (W m-2)
5090	REAL(wp), INTENT(OUT) :: par_diff !< par diffuse: visible (photoactive) diffuse radiation (W m-2)
5091
5092
5093	REAL(wp) :: sv !< total visible radiation
5094	REAL(wp) :: fv !< par direct beam fraction (dimensionless)
5095	REAL(wp) :: ratio !< ratio measured to potential solar radiation (dimensionless)
5096	REAL(wp) :: rdm !< potential direct beam near-infrared radiation (W m-2); "potential" means clear-sky
5097	REAL(wp) :: rdn !< potential diffuse near-infrared radiation (W m-2)
5098	REAL(wp) :: rdu !< visible (par) direct beam radiation (W m-2)
5099	REAL(wp) :: rdv !< potential visible (par) diffuse radiation (W m-2)
5100	REAL(wp) :: rn !< near-infrared radiation (W m-2)
5101	REAL(wp) :: rv !< visible radiation (W m-2)
5102	REAL(wp) :: ww !< water absorption in the near infrared for 10 mm of precipitable water
5103
5104
5105
5106	!
5107	!-- Calculate visible (PAR) direct beam radiation
5108	!-- 600 W m-2 represents average amount of par (400-700 nm wavelength)
5109	!-- at the top of the atmosphere; this is roughly 0.45*solar constant (solar constant=1320 Wm-2)
5110	rdu = 600.0_wp* exp( -0.185_wp * ( pres / pres_0 ) / sinphi ) * sinphi
5111
5112	!
5113	!-- Calculate potential visible diffuse radiation
5114	rdv = 0.4_wp * ( 600.0_wp - rdu ) * sinphi
5115
5116	!
5117	!-- Calculate the water absorption in the-near infrared
5118	ww = 1320 * 10*( -1.195_wp + 0.4459_wp log10( 1.0_wp / sinphi ) - 0.0345_wp * ( log10( 1.0_wp / sinphi ) )**2 )
5119
5120	!
5121	!-- Calculate potential direct beam near-infrared radiation
5122	rdm = (720.0_wp * exp(-0.06_wp * (pres / pres_0) / sinphi ) - ww ) * sinphi !< 720 = solar constant - 600
5123
5124	!
5125	!-- Calculate potential diffuse near-infrared radiation
5126	rdn = 0.6_wp * ( 720 - rdm - ww ) * sinphi
5127
5128	!
5129	!-- Compute visible and near-infrared radiation
5130	rv = MAX( 0.1_wp, rdu + rdv )
5131	rn = MAX( 0.01_wp, rdm + rdn )
5132
5133	!
5134	!-- Compute ratio between input global radiation and total radiation computed here
5135	ratio = MIN( 0.89_wp, glrad / ( rv + rn ) )
5136
5137	!
5138	!-- Calculate total visible radiation
5139	sv = ratio * rv
5140
5141	!
5142	!-- Calculate fraction of par in the direct beam
5143	fv = MIN( 0.99_wp, ( 0.9_wp - ratio ) / 0.7_wp ) !< help variable
5144	fv = MAX( 0.01_wp, rdu / rv * ( 1.0_wp - fv**0.6667_wp ) ) !< fraction of par in the direct beam
5145
5146	!
5147	!-- Compute direct and diffuse parts of par
5148	par_dir = fv * sv
5149	par_diff = sv - par_dir
5150
5151	END SUBROUTINE par_dir_diff
5152
5153
5154	!-------------------------------------------------------------------
5155	!> rc_get_vpd: get vapour pressure deficit (kPa)
5156	!-------------------------------------------------------------------
5157	SUBROUTINE rc_get_vpd( temp, relh, vpd )
5158
5159	IMPLICIT NONE
5160
5161	!
5162	!-- Input/output variables:
5163	REAL(wp), INTENT(IN) :: temp !< temperature (C)
5164	REAL(wp), INTENT(IN) :: relh !< relative humidity (%)
5165
5166	REAL(wp), INTENT(OUT) :: vpd !< vapour pressure deficit (kPa)
5167
5168	!
5169	!-- Local variables:
5170	REAL(wp) :: esat
5171
5172	!
5173	!-- fit parameters:
5174	REAL(wp), PARAMETER :: a1 = 6.113718e-01
5175	REAL(wp), PARAMETER :: a2 = 4.43839e-02
5176	REAL(wp), PARAMETER :: a3 = 1.39817e-03
5177	REAL(wp), PARAMETER :: a4 = 2.9295e-05
5178	REAL(wp), PARAMETER :: a5 = 2.16e-07
5179	REAL(wp), PARAMETER :: a6 = 3.0e-09
5180
5181	!
5182	!-- esat is saturation vapour pressure (kPa) at temp(C) following Monteith(1973)
5183	esat = a1 + a2 * temp + a3 * temp*2 + a4 temp*3 + a5 temp*4 + a6 temp**5
5184	vpd = esat * ( 1 - relh / 100 )
5185
5186	END SUBROUTINE rc_get_vpd
5187
5188
5189
5190	!-------------------------------------------------------------------
5191	!> rc_gsoil_eff: compute effective soil conductance
5192	!-------------------------------------------------------------------
5193	SUBROUTINE rc_gsoil_eff( icmp, lu, sai, ust, nwet, t, gsoil_eff )
5194
5195	IMPLICIT NONE
5196
5197	!
5198	!-- Input/output variables:
5199	INTEGER(iwp), INTENT(IN) :: icmp !< component index
5200	INTEGER(iwp), INTENT(IN) :: lu !< land use type, lu = 1,..., nlu
5201	INTEGER(iwp), INTENT(IN) :: nwet !< index for wetness
5202	!< nwet = 0 -> dry; nwet = 1 -> wet; nwet = 9 -> snow
5203	!< N.B. this routine cannot be called with nwet = 9,
5204	!< nwet = 9 should be handled outside this routine.
5205
5206	REAL(wp), INTENT(IN) :: sai !< surface area index
5207	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
5208	REAL(wp), INTENT(IN) :: t !< temperature (C)
5209
5210	REAL(wp), INTENT(OUT) :: gsoil_eff !< effective soil conductance (m/s)
5211
5212	!
5213	!-- local variables:
5214	REAL(wp) :: rinc !< in canopy resistance (s/m)
5215	REAL(wp) :: rsoil_eff !< effective soil resistance (s/m)
5216
5217
5218	!
5219	!-- Soil resistance (numbers matched with lu_classes and component numbers)
5220	! grs ara crp cnf dec wat urb oth des ice sav trf wai med sem
5221	REAL(wp), PARAMETER :: rsoil(nlu_dep,ncmp) = reshape( (/ &
5222	1000., 200., 200., 200., 200., 2000., 400., 1000., 2000., 2000., 1000., 200., 2000., 200., 400., & !< O3
5223	1000., 1000., 1000., 1000., 1000., 10., 1000., 1000., 1000., 500., 1000., 1000., 10., 1000., 1000., & !< SO2
5224	1000., 1000., 1000., 1000., 1000., 2000., 1000., 1000., 1000., 2000., 1000., 1000., 2000., 1000., 1000., & !< NO2
5225	-999., -999., -999., -999., -999., 2000., 1000., -999., 2000., 2000., -999., -999., 2000., -999., -999., & !< NO
5226	100., 100., 100., 100., 100., 10., 100., 100., 100., 1000., 100., 100., 10., 100., 100., & !< NH3
5227	-999., -999., -999., -999., -999., 2000., 1000., -999., 2000., 2000., -999., -999., 2000., -999., -999., & !< CO
5228	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< NO3
5229	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< HNO3
5230	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., & !< N2O5
5231	-999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999., -999. /),& !< H2O2
5232	(/nlu_dep,ncmp/) )
5233
5234	!
5235	!-- For o3 so2 no2 no nh3 co no3 hno3 n2o5 h2o2
5236	REAL(wp), PARAMETER :: rsoil_wet(ncmp) = (/2000., 10. , 2000., -999., 10. , -999., -999., -999., -999., -999./)
5237	REAL(wp), PARAMETER :: rsoil_frozen(ncmp) = (/2000., 500., 2000., -999., 1000., -999., -999., -999., -999., -999./)
5238
5239
5240
5241	!
5242	!-- Compute in canopy (in crop) resistance:
5243	CALL rc_rinc( lu, sai, ust, rinc )
5244
5245	!
5246	!-- Check for missing deposition path:
5247	IF ( missing(rinc) ) THEN
5248	rsoil_eff = -9999.0_wp
5249	ELSE
5250	!
5251	!-- Frozen soil (temperature below 0):
5252	IF ( t < 0.0_wp ) THEN
5253	IF ( missing( rsoil_frozen( icmp ) ) ) THEN
5254	rsoil_eff = -9999.0_wp
5255	ELSE
5256	rsoil_eff = rsoil_frozen( icmp ) + rinc
5257	ENDIF
5258	ELSE
5259	!
5260	!-- Non-frozen soil; dry:
5261	IF ( nwet == 0 ) THEN
5262	IF ( missing( rsoil( lu, icmp ) ) ) THEN
5263	rsoil_eff = -9999.0_wp
5264	ELSE
5265	rsoil_eff = rsoil( lu, icmp ) + rinc
5266	ENDIF
5267
5268	!
5269	!-- Non-frozen soil; wet:
5270	ELSEIF ( nwet == 1 ) THEN
5271	IF ( missing( rsoil_wet( icmp ) ) ) THEN
5272	rsoil_eff = -9999.0_wp
5273	ELSE
5274	rsoil_eff = rsoil_wet( icmp ) + rinc
5275	ENDIF
5276	ELSE
5277	message_string = 'nwet can only be 0 or 1'
5278	CALL message( 'rc_gsoil_eff', 'CM0460', 1, 2, 0, 6, 0 )
5279	ENDIF
5280	ENDIF
5281	ENDIF
5282
5283	!
5284	!-- Compute conductance:
5285	IF ( rsoil_eff > 0.0_wp ) THEN
5286	gsoil_eff = 1.0_wp / rsoil_eff
5287	ELSE
5288	gsoil_eff = 0.0_wp
5289	ENDIF
5290
5291	END SUBROUTINE rc_gsoil_eff
5292
5293
5294	!-------------------------------------------------------------------
5295	!> rc_rinc: compute in canopy (or in crop) resistance
5296	!> van Pul and Jacobs, 1993, BLM
5297	!-------------------------------------------------------------------
5298	SUBROUTINE rc_rinc( lu, sai, ust, rinc )
5299
5300	IMPLICIT NONE
5301
5302	!
5303	!-- Input/output variables:
5304	INTEGER(iwp), INTENT(IN) :: lu !< land use class, lu = 1, ..., nlu
5305
5306	REAL(wp), INTENT(IN) :: sai !< surface area index
5307	REAL(wp), INTENT(IN) :: ust !< friction velocity (m/s)
5308
5309	REAL(wp), INTENT(OUT) :: rinc !< in canopy resistance (s/m)
5310
5311	!
5312	!-- b = empirical constant for computation of rinc (in canopy resistance) (= 14 m-1 or -999 if not applicable)
5313	!-- h = vegetation height (m) gra ara crop con dec wat urb oth des ice sav trf wai med semi
5314	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: b = (/ -999, 14, 14, 14, 14, -999, -999, -999, -999, -999, -999, 14, -999, &
5315	14, 14 /)
5316	REAL(wp), DIMENSION(nlu_dep), PARAMETER :: h = (/ -999, 1, 1, 20, 20, -999, -999, -999, -999, -999, -999, 20, -999, &
5317	1 , 1 /)
5318
5319	!
5320	!-- Compute Rinc only for arable land, perm. crops, forest; otherwise Rinc = 0:
5321	IF ( b(lu) > 0.0_wp ) THEN
5322	!
5323	!-- Check for u* > 0 (otherwise denominator = 0):
5324	IF ( ust > 0.0_wp ) THEN
5325	rinc = b(lu) * h(lu) * sai/ust
5326	ELSE
5327	rinc = 1000.0_wp
5328	ENDIF
5329	ELSE
5330	IF ( lu == ilu_grass .OR. lu == ilu_other ) THEN
5331	rinc = -999.0_wp !< no deposition path for grass, other, and semi-natural
5332	ELSE
5333	rinc = 0.0_wp !< no in-canopy resistance
5334	ENDIF
5335	ENDIF
5336
5337	END SUBROUTINE rc_rinc
5338
5339
5340
5341	!-------------------------------------------------------------------
5342	!> rc_rctot: compute total canopy (or surface) resistance Rc
5343	!-------------------------------------------------------------------
5344	SUBROUTINE rc_rctot( gstom, gsoil_eff, gw, gc_tot, rc_tot )
5345
5346	IMPLICIT NONE
5347
5348	!
5349	!-- Input/output variables:
5350	REAL(wp), INTENT(IN) :: gstom !< stomatal conductance (s/m)
5351	REAL(wp), INTENT(IN) :: gsoil_eff !< effective soil conductance (s/m)
5352	REAL(wp), INTENT(IN) :: gw !< external leaf conductance (s/m)
5353
5354	REAL(wp), INTENT(OUT) :: gc_tot !< total canopy conductance (m/s)
5355	REAL(wp), INTENT(OUT) :: rc_tot !< total canopy resistance Rc (s/m)
5356
5357	!
5358	!-- Total conductance:
5359	gc_tot = gstom + gsoil_eff + gw
5360
5361	!
5362	!-- Total resistance (note: gw can be negative, but no total emission allowed here):
5363	IF ( gc_tot <= 0.0_wp .OR. gw < 0.0_wp ) THEN
5364	rc_tot = -9999.0_wp
5365	ELSE
5366	rc_tot = 1.0_wp / gc_tot
5367	ENDIF
5368
5369	END SUBROUTINE rc_rctot
5370
5371
5372
5373	!-------------------------------------------------------------------
5374	!> rc_comp_point_rc_eff: calculate the effective resistance Rc
5375	!> based on one or more compensation points
5376	!-------------------------------------------------------------------
5377	!
5378	!> NH3rc (see depac v3.6 is based on Avero workshop Marc Sutton. p. 173.
5379	!> Sutton 1998 AE 473-480)
5380	!>
5381	!> Documentation by Ferd Sauter, 2008; see also documentation block in header of depac subroutine.
5382	!> FS 2009-01-29: variable names made consistent with DEPAC
5383	!> FS 2009-03-04: use total compensation point
5384	!>
5385	!> C: with total compensation point ! D: approximation of C
5386	!> ! with classical approach
5387	!> zr --------- Catm ! zr --------- Catm
5388	!> \| ! \|
5389	!> Ra ! Ra
5390	!> \| ! \|
5391	!> Rb ! Rb
5392	!> \| ! \|
5393	!> z0 --------- Cc ! z0 --------- Cc
5394	!> \| ! \|
5395	!> Rc ! Rc_eff
5396	!> \| ! \|
5397	!> --------- Ccomp_tot ! --------- C=0
5398	!>
5399	!>
5400	!> The effective Rc is defined such that instead of using
5401	!>
5402	!> F = -vd*[Catm - Ccomp_tot] (1)
5403	!>
5404	!> we can use the 'normal' flux formula
5405	!>
5406	!> F = -vd'*Catm, (2)
5407	!>
5408	!> with vd' = 1/(Ra + Rb + Rc') (3)
5409	!>
5410	!> and Rc' the effective Rc (rc_eff).
5411	!> (Catm - Ccomp_tot)
5412	!> vd'Catm = vd(Catm - Ccomp_tot) <=> vd' = vd* ------------------
5413	!> Catm
5414	!>
5415	!> (Catm - Ccomp_tot)
5416	!> 1/(Ra + Rb + Rc') = (1/Ra + Rb + Rc) * ------------------
5417	!> Catm
5418	!>
5419	!> Catm
5420	!> (Ra + Rb + Rc') = (Ra + Rb + Rc) * ------------------
5421	!> (Catm - Ccomp_tot)
5422	!>
5423	!> Catm
5424	!> Rc' = (Ra + Rb + Rc) * ------------------ - Ra - Rb
5425	!> (Catm - Ccomp_tot)
5426	!>
5427	!> Catm Catm
5428	!> Rc' = (Ra + Rb) [------------------ - 1 ] + Rc * ------------------
5429	!> (Catm - Ccomp_tot) (Catm - Ccomp_tot)
5430	!>
5431	!> Rc' = [(Ra + Rb)Ccomp_tot + RcCatm ] / (Catm - Ccomp_tot)
5432	!>
5433	! -------------------------------------------------------------------------------------------
5434
5435	SUBROUTINE rc_comp_point_rc_eff( ccomp_tot, catm, ra, rb, rc_tot, rc_eff )
5436
5437	IMPLICIT NONE
5438
5439	!
5440	!-- Input/output variables:
5441	REAL(wp), INTENT(IN) :: ccomp_tot !< total compensation point (weighed average of separate compensation points) (ug/m3)
5442	REAL(wp), INTENT(IN) :: catm !< atmospheric concentration (ug/m3)
5443	REAL(wp), INTENT(IN) :: ra !< aerodynamic resistance (s/m)
5444	REAL(wp), INTENT(IN) :: rb !< boundary layer resistance (s/m)
5445	REAL(wp), INTENT(IN) :: rc_tot !< total canopy resistance (s/m)
5446
5447	REAL(wp), INTENT(OUT) :: rc_eff !< effective total canopy resistance (s/m)
5448
5449	!
5450	!-- Compute effective resistance:
5451	IF ( ccomp_tot == 0.0_wp ) THEN
5452	!
5453	!-- trace with no compensiation point ( or compensation point equal to zero)
5454	rc_eff = rc_tot
5455
5456	ELSE IF ( ccomp_tot > 0.0_wp .AND. ( abs( catm - ccomp_tot ) < 1.e-8 ) ) THEN
5457	!
5458	!--surface concentration (almost) equal to atmospheric concentration
5459	!-- no exchange between surface and atmosphere, infinite RC --> vd=0
5460	rc_eff = 9999999999.0_wp
5461
5462	ELSE IF ( ccomp_tot > 0.0_wp ) THEN
5463	!
5464	!-- compensation point available, calculate effective resistance
5465	rc_eff = ( ( ra + rb ) * ccomp_tot + rc_tot * catm ) / ( catm - ccomp_tot )
5466
5467	ELSE
5468	rc_eff = -999.0_wp
5469	message_string = 'This should not be possible, check ccomp_tot'
5470	CALL message( 'rc_comp_point_rc_eff', 'CM0461', 1, 2, 0, 6, 0 )
5471	ENDIF
5472
5473	RETURN
5474
5475	END SUBROUTINE rc_comp_point_rc_eff
5476
5477
5478
5479	!-------------------------------------------------------------------
5480	!> missing: check for data that correspond with a missing deposition path
5481	!> this data is represented by -999
5482	!-------------------------------------------------------------------
5483
5484	LOGICAL function missing( x )
5485
5486	REAL(wp), INTENT(IN) :: x
5487
5488	!
5489	!-- bandwidth for checking (in)equalities of floats
5490	REAL(wp), PARAMETER :: eps = 1.0e-5
5491
5492	missing = (abs(x + 999.0_wp) <= eps)
5493
5494	END function missing
5495
5496
5497
5498	ELEMENTAL FUNCTION sedimentation_velocity( rhopart, partsize, slipcor, visc ) RESULT( vs )
5499
5500
5501	IMPLICIT NONE
5502
5503	!
5504	!-- in/out
5505
5506	REAL(wp), INTENT(IN) :: rhopart !< particle density (kg/m3)
5507	REAL(wp), INTENT(IN) :: partsize !< particle size (m)
5508	REAL(wp), INTENT(IN) :: slipcor !< slip correction factor (m)
5509	REAL(wp), INTENT(IN) :: visc !< viscosity
5510
5511	REAL(wp) :: vs
5512
5513	!
5514	!-- acceleration of gravity:
5515	REAL(wp), PARAMETER :: grav = 9.80665 !< m/s2
5516
5517
5518
5519	!
5520	!-- sedimentation velocity
5521	vs = rhopart * ( partsize*2.0_wp ) grav * slipcor / ( 18.0_wp * visc )
5522
5523	END FUNCTION sedimentation_velocity
5524
5525
5526	!------------------------------------------------------------------------
5527	!> Boundary-layer deposition resistance following Zhang (2001)
5528	!------------------------------------------------------------------------
5529	SUBROUTINE drydepo_aero_zhang_vd( vd, Rs, vs1, partsize, slipcor, nwet, tsurf, dens1, viscos1, &
5530	luc, ftop_lu, ustar_lu )
5531
5532
5533	IMPLICIT NONE
5534
5535	! -- in/out
5536
5537	INTEGER(iwp), INTENT(IN) :: nwet !< 1=rain, 9=snowcover
5538	INTEGER(iwp), INTENT(IN) :: luc !< DEPAC LU
5539
5540	REAL(wp), INTENT(IN) :: vs1 !< sedimentation velocity in lowest layer
5541	REAL(wp), INTENT(IN) :: partsize !< particle diameter (m)
5542	REAL(wp), INTENT(IN) :: slipcor !< slip correction factor
5543	REAL(wp), INTENT(IN) :: tsurf !< surface temperature (K)
5544	REAL(wp), INTENT(IN) :: dens1 !< air density (kg/m3) in lowest layer
5545	REAL(wp), INTENT(IN) :: viscos1 !< air viscosity in lowest layer
5546	REAL(wp), INTENT(IN) :: ftop_lu !< atmospheric resistnace Ra
5547	REAL(wp), INTENT(IN) :: ustar_lu !< friction velocity u*
5548
5549	REAL(wp), INTENT(OUT) :: vd !< deposition velocity (m/s)
5550	REAL(wp), INTENT(OUT) :: Rs !< sedimentaion resistance (s/m)
5551
5552
5553	!
5554	!-- constants
5555
5556	REAL(wp), PARAMETER :: grav = 9.80665 !< acceleration of gravity (m/s2)
5557
5558	REAL(wp), PARAMETER :: beta = 2.0
5559	REAL(wp), PARAMETER :: epsilon0 = 3.0
5560	REAL(wp), PARAMETER :: kb = 1.38066e-23
5561	REAL(wp), PARAMETER :: pi = 3.141592654_wp !< pi
5562
5563	REAL(wp), PARAMETER :: alfa_lu(nlu_dep) = &
5564	(/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/)
5565	REAL(wp), PARAMETER :: gamma_lu(nlu_dep) = &
5566	(/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/)
5567	REAL(wp), PARAMETER ::A_lu(nlu_dep) = &
5568	(/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./)
5569	!
5570	!-- grass arabl crops conif decid water urba othr desr ice sav trf wai med sem
5571
5572	!
5573	!-- local
5574
5575	REAL(wp) :: kinvisc
5576	REAL(wp) :: diff_part
5577	REAL(wp) :: schmidt
5578	REAL(wp) :: stokes
5579	REAL(wp) :: Ebrown
5580	REAL(wp) :: Eimpac
5581	REAL(wp) :: Einterc
5582	REAL(wp) :: Reffic
5583
5584
5585	!
5586	!-- kinetic viscosity & diffusivity
5587	kinvisc = viscos1 / dens1 !< only needed at surface
5588
5589	diff_part = kb * tsurf * slipcor / ( 3 * pi * viscos1 * partsize )
5590
5591	!
5592	!-- Schmidt number
5593	schmidt = kinvisc / diff_part
5594
5595	!
5596	!-- calculate collection efficiencie E
5597	Ebrown = Schmidt**( -gamma_lu(luc) ) !< Brownian diffusion
5598	!
5599	!-- determine Stokes number, interception efficiency
5600	!-- and sticking efficiency R (1 = no rebound)
5601	IF ( luc == ilu_ice .OR. nwet==9 .OR. luc == ilu_water_sea .OR. luc == ilu_water_inland ) THEN
5602	stokes = vs1 * ustar_lu*2 / ( grav kinvisc )
5603	Einterc = 0.0_wp
5604	Reffic = 1.0_wp
5605	ELSE IF ( luc == ilu_other .OR. luc == ilu_desert ) THEN !<tundra of desert
5606	stokes = vs1 * ustar_lu*2 / ( grav kinvisc )
5607	Einterc = 0.0_wp
5608	Reffic = exp( -Stokes**0.5_wp )
5609	ELSE
5610	stokes = vs1 * ustar_lu / (grav * A_lu(luc) * 1.e-3)
5611	Einterc = 0.5_wp * ( partsize / (A_lu(luc) * 1e-3 ) )**2
5612	Reffic = exp( -Stokes**0.5_wp )
5613	END IF
5614	!
5615	!-- when surface is wet all particles do not rebound:
5616	IF ( nwet==1 ) Reffic = 1.0_wp
5617	!
5618	!-- determine impaction efficiency:
5619	Eimpac = ( stokes / ( alfa_lu(luc) + stokes ) )**beta
5620
5621	!
5622	!-- sedimentation resistance:
5623	Rs = 1.0_wp / ( epsilon0 * ustar_lu * ( Ebrown + Eimpac + Einterc ) * Reffic )
5624
5625	!
5626	!-- deposition velocity according to Seinfeld and Pandis (2006; eq 19.7):
5627	!
5628	! 1
5629	! vd = ------------------ + vs
5630	! Ra + Rs + RaRsvs
5631	!
5632	!-- where: Rs = Rb (in Seinfeld and Pandis, 2006)
5633	!
5634	!
5635
5636	vd = 1.0_wp / ( ftop_lu + Rs + ftop_lu * Rs * vs1) + vs1
5637
5638
5639	END SUBROUTINE drydepo_aero_zhang_vd
5640
5641
5642	!-------------------------------------------------------------------------------------
5643	!> Compute quasi-laminar boundary layer resistance as a function of landuse and tracer
5644	!> Original EMEP formulation by (Simpson et al, 2003) is used
5645	!-------------------------------------------------------------------------------------
5646	SUBROUTINE get_rb_cell( is_water, z0h, ustar, diffc, Rb )
5647
5648
5649	IMPLICIT NONE
5650
5651	!-- in/out
5652
5653	LOGICAL , INTENT(IN) :: is_water
5654
5655	REAL(wp), INTENT(IN) :: z0h !< roughness length for heat
5656	REAL(wp), INTENT(IN) :: ustar !< friction velocity
5657	REAL(wp), INTENT(IN) :: diffc !< coefficient of diffusivity
5658
5659	REAL(wp), INTENT(OUT) :: Rb !< boundary layer resistance
5660
5661	!
5662	!-- const
5663
5664	REAL(wp), PARAMETER :: thk = 0.19e-4 !< thermal diffusivity of dry air 20 C
5665	REAL(wp), PARAMETER :: kappa_stab = 0.35 !< von Karman constant
5666
5667
5668	!
5669	!-- Use Simpson et al. (2003)
5670	!-- @TODO: Check Rb over water calculation, until then leave commented lines
5671	!IF ( is_water ) THEN
5672	! org: Rb = 1.0_wp / (kappa_stabMAX(0.01_wp,ustar)) log(z0h/diffckappa_stabMAX(0.01_wp,ustar))
5673	! Rb = 1.0_wp / (kappa_stabMAX(0.1_wp,ustar)) log(z0h/diffckappa_stabMAX(0.1_wp,ustar))
5674	!ELSE
5675	Rb = 5.0_wp / MAX( 0.01_wp, ustar ) * ( thk / diffc )**0.67_wp
5676	!END IF
5677
5678	END SUBROUTINE get_rb_cell
5679
5680
5681	!-----------------------------------------------------------------
5682	!> Compute water vapor partial pressure (e_w)
5683	!> given specific humidity Q [(kg water)/(kg air)].
5684	!>
5685	!> Use that gas law for volume V with temperature T
5686	!> holds for the total mixture as well as the water part:
5687	!>
5688	!> R T / V = p_air / n_air = p_water / n_water
5689	!>
5690	!> thus:
5691	!>
5692	!> p_water = p_air n_water / n_air
5693	!>
5694	!> Use:
5695	!> n_air = m_air / xm_air
5696	!> [kg air] / [(kg air)/(mole air)]
5697	!> and:
5698	!> n_water = m_air * Q / xm_water
5699	!> [kg water] / [(kg water)/(mole water)]
5700	!> thus:
5701	!> p_water = p_air Q / (xm_water/xm_air)
5702	!------------------------------------------------------------------
5703
5704	ELEMENTAL FUNCTION watervaporpartialpressure( q, p ) RESULT( p_w )
5705
5706	IMPLICIT NONE
5707
5708	!
5709	!-- in/out
5710
5711	REAL(wp), INTENT(IN) :: q !< specific humidity [(kg water)/(kg air)]
5712	REAL(wp), INTENT(IN) :: p !< air pressure [Pa]
5713
5714	REAL(wp) :: p_w !< water vapor partial pressure [Pa]
5715
5716	!
5717	!-- const
5718
5719	REAL(wp), PARAMETER :: eps = xm_h2o / xm_air !< mole mass ratio ~ 0.622
5720
5721	!
5722	!-- partial pressure of water vapor:
5723	p_w = p * q / eps
5724
5725	END function watervaporpartialpressure
5726
5727
5728
5729	!------------------------------------------------------------------
5730	!> Saturation vapor pressure.
5731	!> From (Stull 1988, eq. 7.5.2d):
5732	!>
5733	!> e_sat = p0 exp( 17.67 * (T-273.16) / (T-29.66) ) [Pa]
5734	!>
5735	!> where:
5736	!> p0 = 611.2 [Pa] : reference pressure
5737	!>
5738	!> Arguments:
5739	!> T [K] : air temperature
5740	!> Result:
5741	!> e_sat_w [Pa] : saturation vapor pressure
5742	!>
5743	!> References:
5744	!> Roland B. Stull, 1988
5745	!> An introduction to boundary layer meteorology.
5746	!-----------------------------------------------------------------
5747
5748	ELEMENTAL FUNCTION saturationvaporpressure( t ) RESULT( e_sat_w )
5749
5750
5751	IMPLICIT NONE
5752
5753	!
5754	!-- in/out
5755
5756	REAL(wp), INTENT(IN) :: t !< temperature [K]
5757
5758	REAL(wp) :: e_sat_w !< saturation vapor pressure [Pa]
5759
5760	!
5761	!-- const
5762	REAL(wp), PARAMETER :: p0 = 611.2 !< base pressure [Pa]
5763
5764	!
5765	!-- saturation vapor pressure:
5766	e_sat_w = p0 * exp( 17.67_wp * ( t - 273.16_wp ) / ( t - 29.66_wp ) ) !< [Pa]
5767
5768	END FUNCTION saturationvaporpressure
5769
5770
5771
5772	!------------------------------------------------------------------------
5773	!> Relative humidity RH [%] is by definition:
5774	!>
5775	!> e_w water vapor partial pressure
5776	!> Rh = -------- * 100
5777	!> e_sat_w saturation vapor pressure
5778	!------------------------------------------------------------------------
5779
5780	ELEMENTAL FUNCTION relativehumidity_from_specifichumidity( q, t, p ) RESULT( rh )
5781
5782
5783	IMPLICIT NONE
5784
5785	!
5786	!-- in/out
5787
5788	REAL(wp), INTENT(IN) :: q !< specific humidity [(kg water)/(kg air)]
5789	REAL(wp), INTENT(IN) :: t !< temperature [K]
5790	REAL(wp), INTENT(IN) :: p !< air pressure [Pa]
5791
5792	REAL(wp) :: rh !< relative humidity [%]
5793
5794	!
5795	!-- relative humidity:
5796	rh = watervaporpartialpressure( q, p ) / saturationvaporpressure( t ) * 100.0_wp
5797
5798	END FUNCTION relativehumidity_from_specifichumidity
5799
5800
5801
5802	END MODULE chemistry_model_mod
5803

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

Download in other formats:

| Impressum | ©Leibniz Universität Hannover |