| [2615] | 1 | !> @file chem_modules.f90 |
|---|
| 2 | !------------------------------------------------------------------------------! |
|---|
| [2828] | 3 | ! This file is part of the PALM model system. |
|---|
| [2615] | 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 | ! |
|---|
| [3835] | 17 | ! Copyright 2018-2019 Leibniz Universitaet Hannover |
|---|
| 18 | ! Copyright 2018-2019 Karlsruhe Institute of Technology |
|---|
| 19 | ! Copyright 2018-2019 Freie Universitaet Berlin |
|---|
| [2615] | 20 | !------------------------------------------------------------------------------! |
|---|
| 21 | ! |
|---|
| 22 | ! Current revisions: |
|---|
| [2828] | 23 | ! ----------------- |
|---|
| [2615] | 24 | ! |
|---|
| [3298] | 25 | ! |
|---|
| [2615] | 26 | ! Former revisions: |
|---|
| 27 | ! ----------------- |
|---|
| 28 | ! $Id: chem_modules.f90 3968 2019-05-13 11:04:01Z gronemeier $ |
|---|
| [3968] | 29 | ! - introduced namelist item chem_modules@emiss_lod as future |
|---|
| 30 | ! - replacement to chem_modules@mode_emis. Currently keeping both |
|---|
| 31 | ! for backward compatibility. chem_modules@mode_emis will be |
|---|
| 32 | ! depreciated upon migration of all dependent modules (e.g., salsa) |
|---|
| 33 | ! to chem_modules@emiss_lod |
|---|
| 34 | ! |
|---|
| 35 | ! (ecc) 20190513 replaced nspec_out with n_matched_vars |
|---|
| 36 | ! |
|---|
| 37 | ! 3877 2019-04-08 19:09:16Z knoop |
|---|
| [3835] | 38 | ! Formatting, clean-up, clarified/corrected comments |
|---|
| 39 | ! |
|---|
| 40 | ! 3833 2019-03-28 15:04:04Z forkel |
|---|
| [3833] | 41 | ! removed USE chem_gasphase_mod |
|---|
| 42 | ! |
|---|
| 43 | ! 3827 2019-03-27 17:20:32Z forkel |
|---|
| [3827] | 44 | ! some formatting and reordering (ecc) |
|---|
| 45 | ! |
|---|
| 46 | ! 3820 2019-03-27 11:53:41Z forkel |
|---|
| [3820] | 47 | ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type |
|---|
| 48 | ! |
|---|
| 49 | ! |
|---|
| 50 | ! 3780 2019-03-05 11:19:45Z forkel |
|---|
| [3780] | 51 | ! added cs_mech |
|---|
| 52 | ! |
|---|
| 53 | ! 3652 2019-01-07 15:29:59Z forkel |
|---|
| [3652] | 54 | ! parameter chem_mechanism added (basit) |
|---|
| 55 | ! |
|---|
| 56 | ! 3636 2018-12-19 13:48:34Z raasch |
|---|
| [3636] | 57 | ! nopointer option removed |
|---|
| 58 | ! |
|---|
| 59 | ! 3611 2018-12-07 14:14:11Z banzhafs |
|---|
| [3611] | 60 | ! Minor formatting |
|---|
| 61 | ! |
|---|
| 62 | ! 3458 2018-10-30 14:51:23Z kanani |
|---|
| [3458] | 63 | ! from chemistry branch r3443: |
|---|
| 64 | ! ?? |
|---|
| [3611] | 65 | ! |
|---|
| [3458] | 66 | ! 3298 2018-10-02 12:21:11Z kanani |
|---|
| [3298] | 67 | ! - Minor formatting |
|---|
| 68 | ! - Introduced Variables for Chemistry emissions Module (Russo) |
|---|
| 69 | ! - Variables and parameters added for 2d and profile output (basit) |
|---|
| 70 | ! - Converted scalar emission factors to 1-D array of 99 elements each (basit) |
|---|
| 71 | ! - Removed "__chem" directive (basit) |
|---|
| 72 | ! |
|---|
| 73 | ! 3282 2018-09-27 10:49:12Z basit |
|---|
| [2828] | 74 | ! Initial revision |
|---|
| 75 | ! |
|---|
| 76 | ! Authors: |
|---|
| 77 | ! -------- |
|---|
| 78 | ! @author Farah Kanani-Suehring |
|---|
| 79 | ! @author Basit Khan |
|---|
| [3458] | 80 | ! @author Sabine Banzhaf |
|---|
| 81 | ! @author Emmanuele Russo |
|---|
| [3820] | 82 | ! @author Edward C. Chan |
|---|
| [2828] | 83 | ! |
|---|
| [2615] | 84 | !------------------------------------------------------------------------------! |
|---|
| 85 | ! Description: |
|---|
| 86 | ! ------------ |
|---|
| [3636] | 87 | !> Definition of global PALM-4U chemistry variables |
|---|
| [2615] | 88 | !------------------------------------------------------------------------------! |
|---|
| 89 | ! |
|---|
| [2828] | 90 | MODULE chem_modules |
|---|
| [3085] | 91 | |
|---|
| 92 | USE kinds |
|---|
| 93 | |
|---|
| [2615] | 94 | IMPLICIT NONE |
|---|
| 95 | |
|---|
| [3835] | 96 | CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface boundary condition for concentration |
|---|
| 97 | CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary condition for concentration |
|---|
| 98 | CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry mechanism |
|---|
| 99 | CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day - workday, weekend, holiday |
|---|
| 100 | CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of chemistry emissions - DEFAULT, EXPERT, PARAMETERIZED |
|---|
| 101 | CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis DEFAULT - HOUR, MDH |
|---|
| [3876] | 102 | CHARACTER (LEN=10) :: photolysis_scheme !< 'constant', |
|---|
| 103 | !< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 |
|---|
| 104 | !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED |
|---|
| 105 | |
|---|
| [3835] | 106 | CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: names of species with given fluxes (see csflux) |
|---|
| 107 | CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: tbc...??? |
|---|
| 108 | CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: tbc...??? |
|---|
| 109 | CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: tbc...??? |
|---|
| [3190] | 110 | |
|---|
| [3835] | 111 | INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species profiles |
|---|
| 112 | INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level |
|---|
| [3968] | 113 | INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis) |
|---|
| 114 | !< -1 = unassigned, 0 = parameterized, 1 = default, 2 = pre-processed |
|---|
| [3835] | 115 | INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b |
|---|
| 116 | INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t |
|---|
| 117 | INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode |
|---|
| 118 | INTEGER(iwp) :: max_pr_cs = 0 !< |
|---|
| 119 | INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode |
|---|
| [3968] | 120 | INTEGER(iwp) :: n_matched_vars !< number of matched emissions variables |
|---|
| [3835] | 121 | INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs (OpenStreetMaps) for PARAMETERIZED mode |
|---|
| [3190] | 122 | |
|---|
| [3835] | 123 | INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles |
|---|
| 124 | INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx |
|---|
| 125 | INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs |
|---|
| 126 | INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! |
|---|
| 127 | |
|---|
| 128 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species for matching routine |
|---|
| 129 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species for matching routine |
|---|
| 130 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input components matching the model's VOCs |
|---|
| 131 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. |
|---|
| 132 | |
|---|
| 133 | LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no top_csflux is prescribed |
|---|
| 134 | LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no surface_csflux is prescribed |
|---|
| 135 | LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....??? |
|---|
| 136 | LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print output |
|---|
| 137 | LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output |
|---|
| 138 | LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print output |
|---|
| 139 | LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off chemical reactions |
|---|
| 140 | LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...??? |
|---|
| 141 | LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of deposition calculation |
|---|
| 142 | LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on anthropogenic emissions |
|---|
| 143 | LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs |
|---|
| 144 | |
|---|
| 145 | REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...??? |
|---|
| 146 | REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...??? |
|---|
| 147 | REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...??? |
|---|
| 148 | REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...??? |
|---|
| 149 | REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...??? |
|---|
| 150 | REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
|---|
| 151 | REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
|---|
| 152 | REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...??? |
|---|
| 153 | |
|---|
| 154 | REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species concentration at surface |
|---|
| 155 | REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels for initial chem species concentrations |
|---|
| 156 | REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species concentration values at cs_heights levels |
|---|
| 157 | |
|---|
| 158 | REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species near domain top |
|---|
| 159 | REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species |
|---|
| 160 | |
|---|
| 161 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ??? |
|---|
| 162 | |
|---|
| 163 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity |
|---|
| 164 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity |
|---|
| 165 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity |
|---|
| 166 | |
|---|
| 167 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ??? |
|---|
| 168 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ??? |
|---|
| 169 | REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp) |
|---|
| 170 | |
|---|
| [3827] | 171 | REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol) |
|---|
| 172 | REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol) |
|---|
| 173 | REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol) |
|---|
| 174 | REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol) |
|---|
| 175 | REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol) |
|---|
| 176 | REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol) |
|---|
| 177 | REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol) |
|---|
| 178 | REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol) |
|---|
| 179 | REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol) |
|---|
| 180 | REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol) |
|---|
| 181 | REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol) |
|---|
| 182 | REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol) |
|---|
| 183 | REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol) |
|---|
| 184 | REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol) |
|---|
| 185 | REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol) |
|---|
| 186 | REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol) |
|---|
| 187 | REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol) |
|---|
| 188 | REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol) |
|---|
| 189 | REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol) |
|---|
| 190 | REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol) |
|---|
| 191 | REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol) |
|---|
| 192 | REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol) |
|---|
| 193 | REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol) |
|---|
| 194 | REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol) |
|---|
| 195 | REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol) |
|---|
| [3876] | 196 | ! |
|---|
| 197 | !- Define chemical variables within chem_species |
|---|
| 198 | TYPE species_def |
|---|
| 199 | CHARACTER(LEN=15) :: name !< name of chemical species |
|---|
| 200 | CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 for aerosol tracers) |
|---|
| 201 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace gases |
|---|
| 202 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_av !< averaged concentrations |
|---|
| 203 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time level |
|---|
| 204 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc for previous sub-timestep (Runge-Kutta) |
|---|
| 205 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace gases at surface |
|---|
| 206 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at south face of grid box of chemical species (='cs') |
|---|
| 207 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation flux at south face of grid box of chemical species |
|---|
| 208 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at left face of grid box of chemical species (='cs') |
|---|
| 209 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation flux at left face of grid box of chemical species |
|---|
| 210 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical species |
|---|
| 211 | END TYPE species_def |
|---|
| 212 | ! |
|---|
| 213 | !-- Define photolysis frequencies in phot_frequen |
|---|
| 214 | TYPE photols_def |
|---|
| 215 | CHARACTER(LEN=15) :: name !< name of pgotolysis frequency |
|---|
| 216 | CHARACTER(LEN=15) :: unit !< unit (1/s) |
|---|
| 217 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency |
|---|
| 218 | END TYPE photols_def |
|---|
| [3458] | 219 | |
|---|
| [3876] | 220 | |
|---|
| 221 | TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species |
|---|
| 222 | TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen |
|---|
| 223 | |
|---|
| [2615] | 224 | SAVE |
|---|
| [3820] | 225 | |
|---|
| [2828] | 226 | END MODULE chem_modules |
|---|
