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source: palm/trunk/SOURCE/chemistry_model_mod.f90 @ 3929

Last change on this file since 3929 was 3929, checked in by banzhafs, 6 years ago
Correct/complete module_interface introduction for chemistry model and bug fix in chem_depo subroutine
Property svn:keywords set to `Id`
File size: 225.6 KB

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

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