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source: palm/trunk/SOURCE/chem_modules.f90 @ 4579

Last change on this file since 4579 was 4577, checked in by raasch, 4 years ago
further re-formatting to follow the PALM coding standard
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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 2018-2020 Leibniz Universitaet Hannover
17	! Copyright 2018-2020 Karlsruhe Institute of Technology
18	! Copyright 2018-2020 Freie Universitaet Berlin
19	!--------------------------------------------------------------------------------------------------!
20	!
21	! Current revisions:
22	! -----------------
23	!
24	!
25	! Former revisions:
26	! -----------------
27	! $Id: chem_modules.f90 4577 2020-06-25 09:53:58Z gronemeier $
28	! further re-formatting concerning Fortran parameter variables
29	!
30	! 4559 2020-06-11 08:51:48Z raasch
31	! file re-formatted to follow the PALM coding standard
32	!
33	! 4544 2020-05-21 14:43:05Z raasch
34	! conc_av changed from pointer to allocatable array
35	!
36	! 4511 2020-04-30 12:20:40Z raasch
37	! new variables for explicit settings of lateral boundary conditions introduced
38	!
39	! 4481 2020-03-31 18:55:54Z maronga
40	! added namelist flag 'emiss_read_legacy_mode' to allow concurrent functioning of new emission read
41	! mode under development (ECC)
42	!
43	! 4273 2019-10-24 13:40:54Z monakurppa
44	! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. by default)
45	!
46	! 4182 2019-08-22 15:20:23Z scharf
47	! Corrected "Former revisions" section
48	!
49	! 4110 2019-07-22 17:05:21Z suehring
50	! +cs_advc_flags_s
51	!
52	! 4109 2019-07-22 17:00:34Z suehring
53	! - introduced namelist item chem_modules@emiss_lod as future
54	! - replacement to chem_modules@mode_emis. Currently keeping both for backward compatibility.
55	! chem_modules@mode_emis will be depreciated upon migration of all dependent modules (e.g., salsa)
56	! to chem_modules@emiss_lod
57	!
58	! (ecc) 20190513 replaced nspec_out with n_matched_vars
59	!
60	! 3877 2019-04-08 19:09:16Z knoop
61	! Formatting, clean-up, clarified/corrected comments
62	!
63	! 3833 2019-03-28 15:04:04Z forkel
64	! removed USE chem_gasphase_mod
65	!
66	! 3827 2019-03-27 17:20:32Z forkel
67	! some formatting and reordering (ecc)
68	!
69	! 3820 2019-03-27 11:53:41Z forkel
70	! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type
71	!
72	! 3780 2019-03-05 11:19:45Z forkel
73	! added cs_mech
74	!
75	! 3652 2019-01-07 15:29:59Z forkel
76	! parameter chem_mechanism added (basit)
77	!
78	! 3282 2018-09-27 10:49:12Z basit
79	! Initial revision
80	!
81	! Authors:
82	! --------
83	! @author Farah Kanani-Suehring
84	! @author Basit Khan
85	! @author Sabine Banzhaf
86	! @author Emmanuele Russo
87	! @author Edward C. Chan
88	!
89	!--------------------------------------------------------------------------------------------------!
90	! Description:
91	! ------------
92	!> Definition of global PALM-4U chemistry variables
93	!--------------------------------------------------------------------------------------------------!
94	!
95	MODULE chem_modules
96
97	USE kinds
98
99	IMPLICIT NONE
100
101	REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol)
102	REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol)
103	REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol)
104	REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol)
105	REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol)
106	REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol)
107	REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol)
108	REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol)
109	REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol)
110	REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol)
111	REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol)
112	REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol)
113	REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol)
114	REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol)
115	REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol)
116	REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol)
117	REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol)
118	REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol)
119	REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol)
120	REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol)
121	REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol)
122	REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol)
123	REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol)
124	REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol)
125	REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol)
126
127	CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface
128	!< boundary condition for concentration
129	CHARACTER (LEN=20) :: bc_cs_l = 'undefined' !< left boundary condition
130	CHARACTER (LEN=20) :: bc_cs_n = 'undefined' !< north boundary condition
131	CHARACTER (LEN=20) :: bc_cs_r = 'undefined' !< right boundary condition
132	CHARACTER (LEN=20) :: bc_cs_s = 'undefined' !< south boundary condition
133	CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary
134	!< condition for concentration
135	CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry
136	!< mechanism
137	CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day
138	!< - workday, weekend, holiday
139	CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of
140	!< chemistry emissions -
141	!< DEFAULT, EXPERT, PARAMETERIZED
142	CHARACTER (LEN=10) :: photolysis_scheme !< 'constant',
143	!< 'simple' (Simple parameterisation from MCM,
144	!< Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180
145	!< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282)
146	!< STILL NOT IMPLEMENTED
147	CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis
148	!< DEFAULT - HOUR, MDH
149
150	CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter:
151	!<names of species with given fluxes
152	!< (see csflux)
153	CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter:
154	!< tbc...???
155	CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter:
156	!< tbc...???
157	CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter:
158	!< tbc...???
159
160	INTEGER(iwp) :: communicator_chem !< stores the number of the MPI communicator to be used
161	!< for ghost layer data exchange
162	!< 1: cyclic, 2: cyclic along x, 3: cyclic along y,
163	!< 4: non-cyclic
164
165	INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species
166	!< profiles
167	INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of
168	!< cs_vertical_gradient_level
169	INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis)
170	!< -1 = unassigned, 0 = parameterized, 1 = default,
171	!< 2 = pre-processed
172	INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b
173	INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t
174	INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs
175	!< (OpenStreetMaps) for PARAMETERIZED mode
176	INTEGER(iwp) :: max_pr_cs = 0 !<
177	INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs
178	!< (OpenStreetMaps) for PARAMETERIZED mode
179	INTEGER(iwp) :: n_matched_vars !< number of matched emissions
180	!< variables
181	INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs
182	!< (OpenStreetMaps) for PARAMETERIZED mode
183
184	INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles
185	INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and
186	!< model's NOx
187	INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and
188	!< model's PMs
189	INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and
190	!< model's SOx!
191
192	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species
193	!< for matching routine
194	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species#
195	!< for matching routine
196	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input
197	!< components matching the model's VOCs
198	INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species
199	!< matching the input VOCs comp.
200
201	INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for
202	!< chemical species near walls and lateral boundaries
203
204	LOGICAL :: bc_dirichlet_cs_l = .FALSE. !< flag for indicating a dirichlet condition at
205	!< the left boundary
206	LOGICAL :: bc_dirichlet_cs_n = .FALSE. !< flag for indicating a dirichlet condition at
207	!< the north boundary
208	LOGICAL :: bc_dirichlet_cs_r = .FALSE. !< flag for indicating a dirichlet condition at
209	!< the right boundary
210	LOGICAL :: bc_dirichlet_cs_s = .FALSE. !< flag for indicating a dirichlet condition at
211	!< the south boundary
212	LOGICAL :: bc_radiation_cs_l = .FALSE. !< flag for indicating a radiation/neumann
213	!< condition at the left boundary
214	LOGICAL :: bc_radiation_cs_n = .FALSE. !< flag for indicating a radiation/neumann
215	!< condition at the north boundary
216	LOGICAL :: bc_radiation_cs_r = .FALSE. !< flag for indicating a radiation/neumann
217	!< condition at the right boundary
218	LOGICAL :: bc_radiation_cs_s = .FALSE. !< flag for indicating a radiation/neumann
219	!< condition at the south boundary
220	LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no
221	!< top_csflux is prescribed
222	LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no
223	!< surface_csflux is prescribed
224	LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....???
225	LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print
226	!< output
227	LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output
228	LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print
229	!< output
230	LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off
231	!< chemical reactions
232	LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...???
233	LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of
234	!< deposition calculation
235	LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on
236	!< anthropogenic emissions
237	LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs
238	LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission
239	!< data using legacy mode
240	LOGICAL :: nesting_chem = .TRUE. !< apply self-nesting for the chemistry model
241	LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry
242	!< model
243
244	REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...???
245	REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...???
246	REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...???
247	REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...???
248	REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...???
249	REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...???
250	REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...???
251	REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...???
252
253	REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species
254	!< concentration at surface
255	REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels
256	!< for initial chem species concentrations
257	REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species
258	!< concentration values at cs_heights levels
259
260	REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species
261	!< near domain top
262	REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species
263
264	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values
265	!< (main module output) ???
266
267	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of
268	!< timelevels for respective quantity
269	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of
270	!< timelevels for respective quantity
271	REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of
272	!< timelevels for respective quantity
273
274	REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ???
275	REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ???
276	REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp)
277
278	!
279	!- Define chemical variables within chem_species
280	TYPE species_def
281
282	CHARACTER(LEN=15) :: name !< name of chemical species
283	CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3
284	!< for aerosol tracers)
285
286	REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical
287	!< species
288
289	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace
290	!< gases at surface
291	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at
292	!< south face of grid box of chemical species (='cs')
293	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation
294	!< flux at south face of grid box of chemical species
295
296	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: conc_av !< averaged concentrations
297	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at
298	!< left face of grid box of chemical species (='cs')
299	REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation
300	!< flux at left face of grid box of chemical species
301
302	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace
303	!< gases
304	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time
305	!< level
306	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc
307	!< for previous sub-timestep (Runge-Kutta)
308
309	END TYPE species_def
310	!
311	!-- Define photolysis frequencies in phot_frequen
312	TYPE photols_def
313
314	CHARACTER(LEN=15) :: name !< name of pgotolysis frequency
315	CHARACTER(LEN=15) :: unit !< unit (1/s)
316
317	REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency
318
319	END TYPE photols_def
320
321
322	TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species
323	TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen
324
325	SAVE
326
327	END MODULE chem_modules

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