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chem_modules.f90 @ 4882

Last change on this file since 4882 was 4881, checked in by forkel, 4 years ago
removed unused parameters and write statements in chemistry
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1	!> @file chem_modules.f90
2	!--------------------------------------------------------------------------------------------------!
3	! This file is part of the PALM model system.
4	!
5	! PALM is free software: you can redistribute it and/or modify it under the terms of the GNU General
6	! Public License as published by the Free Software Foundation, either version 3 of the License, or
7	! (at your option) any later version.
8	!
9	! PALM is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the
10	! implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General
11	! Public License for more details.
12	!
13	! You should have received a copy of the GNU General Public License along with PALM. If not, see
14	! <http://www.gnu.org/licenses/>.
15	!
16	! Copyright 2018-2021 Leibniz Universitaet Hannover
17	! Copyright 2018-2021 Karlsruhe Institute of Technology
18	! Copyright 2018-2021 Freie Universitaet Berlin
19	!--------------------------------------------------------------------------------------------------!
20	!
21	! Current revisions:
22	! -----------------
23	!
24	!
25	! Former revisions:
26	! -----------------
27	! $Id: chem_modules.f90 4881 2021-02-19 22:05:08Z forkel $
28	! removed unnecessarty namelist parameters
29	!
30	!
31	! 4828 2021-01-05 11:21:41Z Giersch
32	! Enable output of vertical fluxes of chemical species.
33	!
34	! 4577 2020-06-25 09:53:58Z raasch
35	! further re-formatting concerning Fortran parameter variables
36	!
37	! 4559 2020-06-11 08:51:48Z raasch
38	! file re-formatted to follow the PALM coding standard
39	!
40	! 4544 2020-05-21 14:43:05Z raasch
41	! conc_av changed from pointer to allocatable array
42	!
43	! 4511 2020-04-30 12:20:40Z raasch
44	! new variables for explicit settings of lateral boundary conditions introduced
45	!
46	! 4481 2020-03-31 18:55:54Z maronga
47	! added namelist flag 'emiss_read_legacy_mode' to allow concurrent functioning of new emission read
48	! mode under development (ECC)
49	!
50	! 4273 2019-10-24 13:40:54Z monakurppa
51	! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. by default)
52	!
53	! 4182 2019-08-22 15:20:23Z scharf
54	! Corrected "Former revisions" section
55	!
56	! 4110 2019-07-22 17:05:21Z suehring
57	! +cs_advc_flags_s
58	!
59	! 4109 2019-07-22 17:00:34Z suehring
60	! - introduced namelist item chem_modules@emiss_lod as future
61	! - replacement to chem_modules@mode_emis. Currently keeping both for backward compatibility.
62	! chem_modules@mode_emis will be depreciated upon migration of all dependent modules (e.g., salsa)
63	! to chem_modules@emiss_lod
64	!
65	! (ecc) 20190513 replaced nspec_out with n_matched_vars
66	!
67	! 3877 2019-04-08 19:09:16Z knoop
68	! Formatting, clean-up, clarified/corrected comments
69	!
70	! 3833 2019-03-28 15:04:04Z forkel
71	! removed USE chem_gasphase_mod
72	!
73	! 3827 2019-03-27 17:20:32Z forkel
74	! some formatting and reordering (ecc)
75	!
76	! 3820 2019-03-27 11:53:41Z forkel
77	! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type
78	!
79	! 3780 2019-03-05 11:19:45Z forkel
80	! added cs_mech
81	!
82	! 3652 2019-01-07 15:29:59Z forkel
83	! parameter chem_mechanism added (basit)
84	!
85	! 3282 2018-09-27 10:49:12Z basit
86	! Initial revision
87	!
88	! Authors:
89	! --------
90	! @author Farah Kanani-Suehring
91	! @author Basit Khan
92	! @author Sabine Banzhaf
93	! @author Emmanuele Russo
94	! @author Edward C. Chan
95	!
96	!--------------------------------------------------------------------------------------------------!
97	! Description:
98	! ------------
99	!> Definition of global PALM-4U chemistry variables
100	!--------------------------------------------------------------------------------------------------!
101	!
102	MODULE chem_modules
103
104	USE kinds
105
106	IMPLICIT NONE
107
108	REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol)
109	REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol)
110	REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol)
111	REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol)
112	REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol)
113	REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol)
114	REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol)
115	REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol)
116	REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol)
117	REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol)
118	REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol)
119	REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol)
120	REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol)
121	REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol)
122	REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol)
123	REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol)
124	REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol)
125	REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol)
126	REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol)
127	REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol)
128	REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol)
129	REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol)
130	REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol)
131	REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol)
132	REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol)
133
134	CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface
135	!< boundary condition for concentration
136	CHARACTER (LEN=20) :: bc_cs_l = 'undefined' !< left boundary condition
137	CHARACTER (LEN=20) :: bc_cs_n = 'undefined' !< north boundary condition
138	CHARACTER (LEN=20) :: bc_cs_r = 'undefined' !< right boundary condition
139	CHARACTER (LEN=20) :: bc_cs_s = 'undefined' !< south boundary condition
140	CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary
141	!< condition for concentration
142	CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry
143	!< mechanism
144	CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day
145	!< - workday, weekend, holiday
146	CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of
147	!< chemistry emissions -
148	!< DEFAULT, EXPERT, PARAMETERIZED
149	CHARACTER (LEN=10) :: photolysis_scheme !< 'constant',
150	!< 'simple' (Simple parameterisation from MCM,
151	!< Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
152	!< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282)
153	!< STILL NOT IMPLEMENTED
154	CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis
155	!< DEFAULT - HOUR, MDH
156
157	CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter:
158	!<names of species with given fluxes
159	!< (see csflux)
160	CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter:
161	!< tbc...???
162	CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter:
163	!< tbc...???
164	CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter:
165	!< tbc...???
166
167	INTEGER(iwp) :: communicator_chem !< stores the number of the MPI communicator to be used
168	!< for ghost layer data exchange
169	!< 1: cyclic, 2: cyclic along x, 3: cyclic along y,
170	!< 4: non-cyclic
171
172	INTEGER(iwp) :: cs_pr_count_fl_res = 0 !< counter for vertical flux profiles of chemical species (resolved-scale)
173	INTEGER(iwp) :: cs_pr_count_fl_sgs = 0 !< counter for vertical flux profiles of chemical species (SGS)
174	INTEGER(iwp) :: cs_pr_count_sp = 0 !< counter for chemical species profiles
175	INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of
176	!< cs_vertical_gradient_level
177	INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis)
178	!< -1 = unassigned, 0 = parameterized, 1 = default,
179	!< 2 = pre-processed
180	INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b
181	INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t
182	INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs
183	!< (OpenStreetMaps) for PARAMETERIZED mode
184	INTEGER(iwp) :: max_pr_cs = 0 !< number of chemistry profiles in output
185	INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs
186	!< (OpenStreetMaps) for PARAMETERIZED mode
187	INTEGER(iwp) :: n_matched_vars !< number of matched emissions
188	!< variables
189	INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs
190	!< (OpenStreetMaps) for PARAMETERIZED mode
191
192	INTEGER(iwp), DIMENSION(99) :: cs_pr_index_sp = 0 !< index for chemical species mean profiles
193	INTEGER(iwp), DIMENSION(99) :: cs_pr_index_fl_res = 0 !< index for chemical species sgs-flux profiles
194	INTEGER(iwp), DIMENSION(99) :: cs_pr_index_fl_sgs = 0 !< index for chemical species resolved-scale flux profiles
195	INTEGER(iwp), DIMENSION(99) :: hom_index_fl_res = 0 !< index of the resolved-scale flux profile with respect to the hom array
196	INTEGER(iwp), DIMENSION(99) :: hom_index_fl_sgs = 0 !< index of the SGS flux profile with respect to the hom array
197	INTEGER(iwp), DIMENSION(99) :: hom_index_spec = 0 !< index of the profile with respect to the hom array
198	INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx
199	INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs
200	INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx!
201
202	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species
203	!< for matching routine
204	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species#
205	!< for matching routine
206	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input
207	!< components matching the model's VOCs
208	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species
209	!< matching the input VOCs comp.
210
211	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for
212	!< chemical species near walls and lateral boundaries
213
214	LOGICAL :: bc_dirichlet_cs_l = .FALSE. !< flag for indicating a dirichlet condition at
215	!< the left boundary
216	LOGICAL :: bc_dirichlet_cs_n = .FALSE. !< flag for indicating a dirichlet condition at
217	!< the north boundary
218	LOGICAL :: bc_dirichlet_cs_r = .FALSE. !< flag for indicating a dirichlet condition at
219	!< the right boundary
220	LOGICAL :: bc_dirichlet_cs_s = .FALSE. !< flag for indicating a dirichlet condition at
221	!< the south boundary
222	LOGICAL :: bc_radiation_cs_l = .FALSE. !< flag for indicating a radiation/neumann
223	!< condition at the left boundary
224	LOGICAL :: bc_radiation_cs_n = .FALSE. !< flag for indicating a radiation/neumann
225	!< condition at the north boundary
226	LOGICAL :: bc_radiation_cs_r = .FALSE. !< flag for indicating a radiation/neumann
227	!< condition at the right boundary
228	LOGICAL :: bc_radiation_cs_s = .FALSE. !< flag for indicating a radiation/neumann
229	!< condition at the south boundary
230	LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no
231	!< surface_csflux is prescribed
232	LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: Never set true
233	!< except for tests
234	LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off
235	!< chemical reactions
236	LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...???
237	LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of
238	!< deposition calculation
239	LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on
240	!< anthropogenic emissions
241	LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs
242	LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission
243	!< data using legacy mode
244	LOGICAL :: nesting_chem = .TRUE. !< apply self-nesting for the chemistry model
245	LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry
246	!< model
247
248	REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: weighting factor
249	!< for LOD 0 parameterized emissions
250	REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: weighting factor
251	!< for LOD 0 parameterized emissions
252	REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: surface emission
253	!< flux or LOD 0 parameterized emissions
254	REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...???
255
256	REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species
257	!< concentration at surface
258	REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels
259	!< for initial chem species concentrations
260	REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species
261	!< concentration values at cs_heights levels
262
263	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species
264	!< near domain top
265	REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species
266
267	REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: sums_ws_l !< subdomain sum of vertical chemistry flux w'ch'
268
269	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ???
270
271	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of
272	!< timelevels for respective quantity
273	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of
274	!< timelevels for respective quantity
275	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of
276	!< timelevels for respective quantity
277
278	REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ???
279	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ???
280	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp)
281
282	!
283	!- Define chemical variables within chem_species
284	TYPE species_def
285
286	CHARACTER(LEN=15) :: name !< name of chemical species
287	CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3
288	!< for aerosol tracers)
289
290	REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical
291	!< species
292
293	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace
294	!< gases at surface
295	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at
296	!< south face of grid box of chemical species (='cs')
297	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation
298	!< flux at south face of grid box of chemical species
299
300	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: conc_av !< averaged concentrations
301	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at
302	!< left face of grid box of chemical species (='cs')
303	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation
304	!< flux at left face of grid box of chemical species
305
306	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace
307	!< gases
308	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time
309	!< level
310	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc
311	!< for previous sub-timestep (Runge-Kutta)
312
313	END TYPE species_def
314	!
315	!-- Define photolysis frequencies in phot_frequen
316	TYPE photols_def
317
318	CHARACTER(LEN=15) :: name !< name of pgotolysis frequency
319	CHARACTER(LEN=15) :: unit !< unit (1/s)
320
321	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency
322
323	END TYPE photols_def
324
325
326	TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species
327	TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen
328
329	SAVE
330
331	END MODULE chem_modules

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