[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 | ! |
---|
[3298] | 17 | ! Copyright 2018-2018 Leibniz Universitaet Hannover |
---|
| 18 | ! Copyright 2018-2018 Karlsruhe Institute of Technology |
---|
| 19 | ! Copyright 2018-2018 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 3827 2019-03-27 17:20:32Z forkel $ |
---|
[3827] | 29 | ! some formatting and reordering (ecc) |
---|
| 30 | ! |
---|
| 31 | ! 3820 2019-03-27 11:53:41Z forkel |
---|
[3820] | 32 | ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type |
---|
| 33 | ! |
---|
| 34 | ! |
---|
| 35 | ! 3780 2019-03-05 11:19:45Z forkel |
---|
[3780] | 36 | ! added cs_mech |
---|
| 37 | ! |
---|
| 38 | ! 3652 2019-01-07 15:29:59Z forkel |
---|
[3652] | 39 | ! parameter chem_mechanism added (basit) |
---|
| 40 | ! |
---|
| 41 | ! 3636 2018-12-19 13:48:34Z raasch |
---|
[3636] | 42 | ! nopointer option removed |
---|
| 43 | ! |
---|
| 44 | ! 3611 2018-12-07 14:14:11Z banzhafs |
---|
[3611] | 45 | ! Minor formatting |
---|
| 46 | ! |
---|
| 47 | ! 3458 2018-10-30 14:51:23Z kanani |
---|
[3458] | 48 | ! from chemistry branch r3443: |
---|
| 49 | ! ?? |
---|
[3611] | 50 | ! |
---|
[3458] | 51 | ! 3298 2018-10-02 12:21:11Z kanani |
---|
[3298] | 52 | ! - Minor formatting |
---|
| 53 | ! - Introduced Variables for Chemistry emissions Module (Russo) |
---|
| 54 | ! - Variables and parameters added for 2d and profile output (basit) |
---|
| 55 | ! - Converted scalar emission factors to 1-D array of 99 elements each (basit) |
---|
| 56 | ! - Removed "__chem" directive (basit) |
---|
| 57 | ! |
---|
| 58 | ! 3282 2018-09-27 10:49:12Z basit |
---|
[2828] | 59 | ! Initial revision |
---|
| 60 | ! |
---|
| 61 | ! Authors: |
---|
| 62 | ! -------- |
---|
| 63 | ! @author Farah Kanani-Suehring |
---|
| 64 | ! @author Basit Khan |
---|
[3458] | 65 | ! @author Sabine Banzhaf |
---|
| 66 | ! @author Emmanuele Russo |
---|
[3820] | 67 | ! @author Edward C. Chan |
---|
[2828] | 68 | ! |
---|
[2615] | 69 | !------------------------------------------------------------------------------! |
---|
| 70 | ! Description: |
---|
| 71 | ! ------------ |
---|
[3636] | 72 | !> Definition of global PALM-4U chemistry variables |
---|
[2615] | 73 | !------------------------------------------------------------------------------! |
---|
| 74 | ! |
---|
[2828] | 75 | MODULE chem_modules |
---|
[3085] | 76 | |
---|
[2615] | 77 | USE chem_gasphase_mod, & |
---|
[3780] | 78 | ONLY: cs_mech, nspec, nvar, spc_names |
---|
[2615] | 79 | |
---|
[3085] | 80 | USE control_parameters, & |
---|
| 81 | ONLY: varnamelength |
---|
[2615] | 82 | |
---|
[3085] | 83 | USE kinds |
---|
| 84 | |
---|
[2615] | 85 | IMPLICIT NONE |
---|
| 86 | |
---|
[3780] | 87 | PUBLIC cs_mech |
---|
[2615] | 88 | PUBLIC nspec |
---|
| 89 | PUBLIC nvar |
---|
| 90 | PUBLIC spc_names |
---|
| 91 | |
---|
[3611] | 92 | CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter |
---|
| 93 | CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter |
---|
[3820] | 94 | CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< KPP chmical mechanism |
---|
| 95 | !< by cs_name for each height lvls defined by cs_heights |
---|
| 96 | CHARACTER (LEN=80) :: daytype_mdh ='workday' !< Type of day in the MDH case: workday, weekend, holiday |
---|
[3611] | 97 | CHARACTER (LEN=80) :: mode_emis ='PARAMETERIZED' !< Mode of chemistry emissions: DEFAULT .OR. EXPERT .OR. |
---|
| 98 | !< PARAMETERIZED |
---|
[3827] | 99 | CHARACTER (LEN=80) :: time_fac_type ='MDH' !< Type of time treatment in the emis DEFAULT mode: HOUR .OR. MDH |
---|
| 100 | CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< Namelist parameter: chem spcs names |
---|
| 101 | CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< Namelist parameter: Names of the chem for profiles |
---|
| 102 | CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< Namelist parameter: Names of the chem species for profile output |
---|
[3820] | 103 | CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< Namelist parameter: chem species names with surface fluxes specified |
---|
| 104 | !< active chem spcs, default is 'novalue') ???? |
---|
[3190] | 105 | |
---|
[3827] | 106 | INTEGER(iwp) :: cs_pr_count = 0 !< namelist parameter : No. of species profiles (ecc) |
---|
| 107 | INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level_ind(s) |
---|
| 108 | INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b |
---|
| 109 | INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t |
---|
| 110 | INTEGER(iwp) :: main_street_id = 0 !< namelist parameter for chem_emissions : ID for main streets |
---|
| 111 | INTEGER(iwp) :: max_pr_cs = 0 !< namelist parameter : Max no. of species profiles (ecc) |
---|
| 112 | INTEGER(iwp) :: max_street_id = 0 !< namelist parameter for chem_emissions : maximum street IDs |
---|
| 113 | INTEGER(iwp) :: nspec_out !< Output of routine chem_emis_matching with |
---|
| 114 | INTEGER(iwp) :: side_street_id = 0 !< namelist paramtger for chem_emissions : ID for side streets |
---|
| 115 | INTEGER(iwp),DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profile (ecc) |
---|
| 116 | INTEGER(iwp),DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx |
---|
| 117 | INTEGER(iwp),DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs |
---|
| 118 | INTEGER(iwp),DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! |
---|
| 119 | INTEGER(iwp),DIMENSION(:),ALLOCATABLE :: match_spec_input !< Index of Input chem species for matching routine |
---|
| 120 | INTEGER(iwp),DIMENSION(:),ALLOCATABLE :: match_spec_model !< Index of Model chem species for matching routine |
---|
| 121 | INTEGER(iwp),DIMENSION(:),ALLOCATABLE :: match_spec_voc_input !< index of VOC input components matching the model's VOCs |
---|
| 122 | INTEGER(iwp),DIMENSION(:),ALLOCATABLE :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. |
---|
[3190] | 123 | |
---|
[3820] | 124 | LOGICAL :: constant_top_csflux(99) = .TRUE. !< chem spcs at the top orig .TRUE. |
---|
| 125 | LOGICAL :: constant_csflux(99) = .TRUE. !< chem spcs at namelist parameter orig TRUE |
---|
| 126 | LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter |
---|
| 127 | LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter flag for minimum print output |
---|
| 128 | LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter flag for print output |
---|
| 129 | LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter flag for further print output |
---|
| 130 | LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter |
---|
| 131 | LOGICAL :: cs_pr_namelist_found = .FALSE. !< Namelist parameter: Names of t |
---|
| 132 | LOGICAL :: deposition_dry = .FALSE. !< namelist parameter for activation of deposition calculation |
---|
| 133 | LOGICAL :: emissions_anthropogenic = .FALSE. !< Flag for turning on anthropogenic emissions |
---|
[3827] | 134 | LOGICAL :: emission_output_required = .TRUE. !< Logical Variable for requiring Emission Outputs |
---|
[3611] | 135 | ! |
---|
[3820] | 136 | !-- Namelist parameters for creating initial chemistry profiles |
---|
[3827] | 137 | REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter : initial surface flux difference |
---|
| 138 | REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter : vertical gradient |
---|
| 139 | REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter : vertical gradient level |
---|
| 140 | REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< emission factor for main streets |
---|
| 141 | REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< emission factor for side streets |
---|
| 142 | !< in the namelist |
---|
| 143 | REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter : fluxes where 'surface_csflux_name' is |
---|
| 144 | REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter : chemical species flux at ceiling |
---|
| 145 | REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter : chemical species flux lateral |
---|
| 146 | REAL(wp),DIMENSION(99) :: cs_surface = 0.0_wp !< Namelist parameter: Surface conc of chem spcs' |
---|
| 147 | REAL(wp),DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< Namelist parameter: Height lvls(m) for cs_profiles |
---|
| 148 | REAL(wp),DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< Namelist parameter: Chem conc for each spcs defined |
---|
| 149 | REAL(wp),DIMENSION(:),ALLOCATABLE :: bc_cs_t_val !< chemical specices time value at BC |
---|
| 150 | REAL(wp),DIMENSION(:),ALLOCATABLE :: css !< scaling parameter for chem spcs |
---|
| 151 | REAL(wp),DIMENSION(:,:,:,:),ALLOCATABLE :: emis_distribution !< Emissions Final Values (main module output) |
---|
| 152 | REAL(wp),DIMENSION(:,:,:,:),ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity |
---|
| 153 | REAL(wp),DIMENSION(:,:,:,:),ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity |
---|
| 154 | REAL(wp),DIMENSION(:,:,:,:),ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity |
---|
| 155 | REAL(wp),DIMENSION(:,:,:),POINTER :: cs !< pointer: sgs chem spcs) |
---|
| 156 | REAL(wp),DIMENSION(:,:,:),POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs |
---|
| 157 | REAL(wp),DIMENSION(:,:,:),POINTER :: tcs_m !< pointer: to tcs array (temp) |
---|
[3611] | 158 | ! |
---|
[3820] | 159 | !-- molecular weights |
---|
[3827] | 160 | REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol) |
---|
| 161 | REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol) |
---|
| 162 | REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol) |
---|
| 163 | REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol) |
---|
| 164 | REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol) |
---|
| 165 | REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol) |
---|
| 166 | REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol) |
---|
| 167 | REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol) |
---|
| 168 | REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol) |
---|
| 169 | REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol) |
---|
| 170 | REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol) |
---|
| 171 | REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol) |
---|
| 172 | REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol) |
---|
| 173 | REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol) |
---|
| 174 | REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol) |
---|
| 175 | REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol) |
---|
| 176 | REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol) |
---|
| 177 | REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol) |
---|
| 178 | REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol) |
---|
| 179 | REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol) |
---|
| 180 | REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol) |
---|
| 181 | REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol) |
---|
| 182 | REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol) |
---|
| 183 | REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol) |
---|
| 184 | REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol) |
---|
[3458] | 185 | |
---|
[2615] | 186 | SAVE |
---|
[3820] | 187 | |
---|
[2828] | 188 | END MODULE chem_modules |
---|