Changeset 4559 for palm/trunk/SOURCE/chem_modules.f90
- Timestamp:
- Jun 11, 2020 8:51:48 AM (4 years ago)
- File:
-
- 1 edited
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palm/trunk/SOURCE/chem_modules.f90 (modified) (8 diffs)
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palm/trunk/SOURCE/chem_modules.f90
r4544 r4559 1 1 !> @file chem_modules.f90 2 !------------------------------------------------------------------------------ !2 !--------------------------------------------------------------------------------------------------! 3 3 ! This file is part of the PALM model system. 4 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/>. 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/>. 16 15 ! 17 16 ! Copyright 2018-2020 Leibniz Universitaet Hannover 18 17 ! Copyright 2018-2020 Karlsruhe Institute of Technology 19 18 ! Copyright 2018-2020 Freie Universitaet Berlin 20 !------------------------------------------------------------------------------ !19 !--------------------------------------------------------------------------------------------------! 21 20 ! 22 21 ! Current revisions: … … 27 26 ! ----------------- 28 27 ! $Id$ 28 ! file re-formatted to follow the PALM coding standard 29 ! 30 ! 4544 2020-05-21 14:43:05Z raasch 29 31 ! conc_av changed from pointer to allocatable array 30 ! 32 ! 31 33 ! 4511 2020-04-30 12:20:40Z raasch 32 34 ! new variables for explicit settings of lateral boundary conditions introduced 33 35 ! 34 36 ! 4481 2020-03-31 18:55:54Z maronga 35 ! added namelist flag 'emiss_read_legacy_mode' to allow concurrent 36 ! functioning of new emission read mode under development (ECC) 37 ! 38 ! 4273 2019-10-24 13:40:54Z monakurppa 39 ! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. 40 ! by default) 37 ! added namelist flag 'emiss_read_legacy_mode' to allow concurrent functioning of new emission read 38 ! mode under development (ECC) 39 ! 40 ! 4273 2019-10-24 13:40:54Z monakurppa 41 ! Add logical switches nesting_chem and nesting_offline_chem (both .TRUE. by default) 41 42 ! 42 43 ! 4182 2019-08-22 15:20:23Z scharf 43 44 ! Corrected "Former revisions" section 44 ! 45 ! 45 46 ! 4110 2019-07-22 17:05:21Z suehring 46 47 ! +cs_advc_flags_s 47 ! 48 ! 48 49 ! 4109 2019-07-22 17:00:34Z suehring 49 50 ! - introduced namelist item chem_modules@emiss_lod as future 50 ! - replacement to chem_modules@mode_emis. Currently keeping both 51 ! for backward compatibility. chem_modules@mode_emis will be 52 ! depreciated upon migration of all dependent modules (e.g., salsa) 51 ! - replacement to chem_modules@mode_emis. Currently keeping both for backward compatibility. 52 ! chem_modules@mode_emis will be depreciated upon migration of all dependent modules (e.g., salsa) 53 53 ! to chem_modules@emiss_lod 54 54 ! 55 55 ! (ecc) 20190513 replaced nspec_out with n_matched_vars 56 ! 56 ! 57 57 ! 3877 2019-04-08 19:09:16Z knoop 58 58 ! Formatting, clean-up, clarified/corrected comments 59 ! 59 ! 60 60 ! 3833 2019-03-28 15:04:04Z forkel 61 61 ! removed USE chem_gasphase_mod 62 ! 62 ! 63 63 ! 3827 2019-03-27 17:20:32Z forkel 64 ! some formatting and reordering (ecc) 65 ! 64 ! some formatting and reordering (ecc) 65 ! 66 66 ! 3820 2019-03-27 11:53:41Z forkel 67 ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type 68 ! 69 ! 67 ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type 68 ! 70 69 ! 3780 2019-03-05 11:19:45Z forkel 71 70 ! added cs_mech 72 ! 71 ! 73 72 ! 3652 2019-01-07 15:29:59Z forkel 74 73 ! parameter chem_mechanism added (basit) 75 ! 74 ! 76 75 ! 3282 2018-09-27 10:49:12Z basit 77 76 ! Initial revision … … 85 84 ! @author Edward C. Chan 86 85 ! 87 !------------------------------------------------------------------------------ !86 !--------------------------------------------------------------------------------------------------! 88 87 ! Description: 89 88 ! ------------ 90 89 !> Definition of global PALM-4U chemistry variables 91 !------------------------------------------------------------------------------ !90 !--------------------------------------------------------------------------------------------------! 92 91 ! 93 92 MODULE chem_modules … … 97 96 IMPLICIT NONE 98 97 99 CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface boundary condition for concentration 98 CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface 99 !< boundary condition for concentration 100 100 CHARACTER (LEN=20) :: bc_cs_l = 'undefined' !< left boundary condition 101 101 CHARACTER (LEN=20) :: bc_cs_n = 'undefined' !< north boundary condition 102 102 CHARACTER (LEN=20) :: bc_cs_r = 'undefined' !< right boundary condition 103 103 CHARACTER (LEN=20) :: bc_cs_s = 'undefined' !< south boundary condition 104 CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary condition for concentration 105 CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry mechanism 106 CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day - workday, weekend, holiday 107 CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of chemistry emissions - DEFAULT, EXPERT, PARAMETERIZED 108 CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis DEFAULT - HOUR, MDH 104 CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary 105 !< condition for concentration 106 CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry 107 !< mechanism 108 CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day 109 !< - workday, weekend, holiday 110 CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of 111 !< chemistry emissions - 112 !< DEFAULT, EXPERT, PARAMETERIZED 109 113 CHARACTER (LEN=10) :: photolysis_scheme !< 'constant', 110 !< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 111 !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED 112 113 CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: names of species with given fluxes (see csflux) 114 CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: tbc...??? 115 CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: tbc...??? 116 CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: tbc...??? 114 !< 'simple' (Simple parameterisation from MCM, 115 !< Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 116 !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) 117 !< STILL NOT IMPLEMENTED 118 CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis 119 !< DEFAULT - HOUR, MDH 120 121 CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: 122 !<names of species with given fluxes 123 !< (see csflux) 124 CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: 125 !< tbc...??? 126 CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: 127 !< tbc...??? 128 CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: 129 !< tbc...??? 117 130 118 131 INTEGER(iwp) :: communicator_chem !< stores the number of the MPI communicator to be used … … 121 134 !< 4: non-cyclic 122 135 123 INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species profiles 124 INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level 136 INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species 137 !< profiles 138 INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of 139 !< cs_vertical_gradient_level 125 140 INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis) 126 !< -1 = unassigned, 0 = parameterized, 1 = default, 2 = pre-processed 141 !< -1 = unassigned, 0 = parameterized, 1 = default, 142 !< 2 = pre-processed 127 143 INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b 128 144 INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t 129 INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode 130 INTEGER(iwp) :: max_pr_cs = 0 !< 131 INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode 132 INTEGER(iwp) :: n_matched_vars !< number of matched emissions variables 133 INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs (OpenStreetMaps) for PARAMETERIZED mode 145 INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs 146 !< (OpenStreetMaps) for PARAMETERIZED mode 147 INTEGER(iwp) :: max_pr_cs = 0 !< 148 INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs 149 !< (OpenStreetMaps) for PARAMETERIZED mode 150 INTEGER(iwp) :: n_matched_vars !< number of matched emissions 151 !< variables 152 INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs 153 !< (OpenStreetMaps) for PARAMETERIZED mode 134 154 135 155 INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles 136 INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx 137 INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs 138 INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! 139 140 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species for matching routine 141 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species for matching routine 142 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input components matching the model's VOCs 143 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. 144 145 INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for 156 INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and 157 !< model's NOx 158 INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and 159 !< model's PMs 160 INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and 161 !< model's SOx! 162 163 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species 164 !< for matching routine 165 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species# 166 !< for matching routine 167 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input 168 !< components matching the model's VOCs 169 INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species 170 !< matching the input VOCs comp. 171 172 INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for 146 173 !< chemical species near walls and lateral boundaries 147 174 … … 162 189 LOGICAL :: bc_radiation_cs_s = .FALSE. !< flag for indicating a radiation/neumann 163 190 !< condition at the south boundary 164 LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no top_csflux is prescribed 165 LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no surface_csflux is prescribed 166 LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....??? 167 LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print output 191 LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no 192 !< top_csflux is prescribed 193 LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no 194 !< surface_csflux is prescribed 195 LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....??? 196 LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print 197 !< output 168 198 LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output 169 LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print output 170 LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off chemical reactions 199 LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print 200 !< output 201 LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off 202 !< chemical reactions 171 203 LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...??? 172 LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of deposition calculation 173 LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on anthropogenic emissions 204 LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of 205 !< deposition calculation 206 LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on 207 !< anthropogenic emissions 174 208 LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs 175 LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission data using legacy mode 209 LOGICAL :: emiss_read_legacy_mode = .TRUE. !< namelist parameter: flag to read emission 210 !< data using legacy mode 176 211 LOGICAL :: nesting_chem = .TRUE. !< apply self-nesting for the chemistry model 177 LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry model 212 LOGICAL :: nesting_offline_chem = .TRUE. !< apply offline nesting for the chemistry 213 !< model 178 214 179 215 REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...??? … … 186 222 REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...??? 187 223 188 REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species concentration at surface 189 REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels for initial chem species concentrations 190 REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species concentration values at cs_heights levels 191 192 REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species near domain top 224 REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species 225 !< concentration at surface 226 REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels 227 !< for initial chem species concentrations 228 REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species 229 !< concentration values at cs_heights levels 230 231 REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species 232 !< near domain top 193 233 REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species 194 234 195 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ??? 196 197 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity 198 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity 199 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity 235 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values 236 !< (main module output) ??? 237 238 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of 239 !< timelevels for respective quantity 240 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of 241 !< timelevels for respective quantity 242 REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of 243 !< timelevels for respective quantity 200 244 201 245 REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ??? … … 231 275 !- Define chemical variables within chem_species 232 276 TYPE species_def 277 233 278 CHARACTER(LEN=15) :: name !< name of chemical species 234 CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 for aerosol tracers) 235 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace gases 279 CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 280 !< for aerosol tracers) 281 282 REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical 283 !< species 284 285 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace 286 !< gases at surface 287 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at 288 !< south face of grid box of chemical species (='cs') 289 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation 290 !< flux at south face of grid box of chemical species 291 236 292 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: conc_av !< averaged concentrations 237 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time level 238 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc for previous sub-timestep (Runge-Kutta) 239 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace gases at surface 240 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at south face of grid box of chemical species (='cs') 241 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation flux at south face of grid box of chemical species 242 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at left face of grid box of chemical species (='cs') 243 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation flux at left face of grid box of chemical species 244 REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical species 293 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at 294 !< left face of grid box of chemical species (='cs') 295 REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation 296 !< flux at left face of grid box of chemical species 297 298 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace 299 !< gases 300 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time 301 !< level 302 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc 303 !< for previous sub-timestep (Runge-Kutta) 304 245 305 END TYPE species_def 246 306 ! 247 307 !-- Define photolysis frequencies in phot_frequen 248 308 TYPE photols_def 309 249 310 CHARACTER(LEN=15) :: name !< name of pgotolysis frequency 250 311 CHARACTER(LEN=15) :: unit !< unit (1/s) 312 251 313 REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency 314 252 315 END TYPE photols_def 253 316
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