| 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 |
|---|
| 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 | ! |
|---|
| 17 | ! Copyright 2018-2018 Leibniz Universitaet Hannover |
|---|
| 18 | ! Copyright 2018-2018 Karlsruhe Institute of Technology |
|---|
| 19 | ! Copyright 2018-2018 Freie Universitaet Berlin |
|---|
| 20 | !------------------------------------------------------------------------------! |
|---|
| 21 | ! |
|---|
| 22 | ! Current revisions: |
|---|
| 23 | ! ----------------- |
|---|
| 24 | ! |
|---|
| 25 | ! |
|---|
| 26 | ! Former revisions: |
|---|
| 27 | ! ----------------- |
|---|
| 28 | ! $Id: chem_modules.f90 3458 2018-10-30 14:51:23Z kanani $ |
|---|
| 29 | ! from chemistry branch r3443: |
|---|
| 30 | ! ?? |
|---|
| 31 | ! |
|---|
| 32 | ! 3298 2018-10-02 12:21:11Z kanani |
|---|
| 33 | ! - Minor formatting |
|---|
| 34 | ! - Introduced Variables for Chemistry emissions Module (Russo) |
|---|
| 35 | ! - Variables and parameters added for 2d and profile output (basit) |
|---|
| 36 | ! - Converted scalar emission factors to 1-D array of 99 elements each (basit) |
|---|
| 37 | ! - Removed "__chem" directive (basit) |
|---|
| 38 | ! |
|---|
| 39 | ! 3282 2018-09-27 10:49:12Z basit |
|---|
| 40 | ! Initial revision |
|---|
| 41 | ! |
|---|
| 42 | ! |
|---|
| 43 | ! |
|---|
| 44 | ! |
|---|
| 45 | ! Authors: |
|---|
| 46 | ! -------- |
|---|
| 47 | ! @author Farah Kanani-Suehring |
|---|
| 48 | ! @author Basit Khan |
|---|
| 49 | ! @author Sabine Banzhaf |
|---|
| 50 | ! @author Emmanuele Russo |
|---|
| 51 | ! |
|---|
| 52 | !------------------------------------------------------------------------------! |
|---|
| 53 | ! Description: |
|---|
| 54 | ! ------------ |
|---|
| 55 | !> Definition of global palm-4u chemistry variables |
|---|
| 56 | !> (Module written to define global palm-4u chemistry variables. basit 16Nov2017) |
|---|
| 57 | !------------------------------------------------------------------------------! |
|---|
| 58 | ! |
|---|
| 59 | MODULE chem_modules |
|---|
| 60 | |
|---|
| 61 | USE chem_gasphase_mod, & |
|---|
| 62 | ONLY: nspec, nvar, spc_names |
|---|
| 63 | |
|---|
| 64 | USE control_parameters, & |
|---|
| 65 | ONLY: varnamelength |
|---|
| 66 | |
|---|
| 67 | USE kinds |
|---|
| 68 | |
|---|
| 69 | USE statistics, & |
|---|
| 70 | ONLY: pr_palm |
|---|
| 71 | |
|---|
| 72 | |
|---|
| 73 | IMPLICIT NONE |
|---|
| 74 | |
|---|
| 75 | PUBLIC nspec |
|---|
| 76 | PUBLIC nvar |
|---|
| 77 | PUBLIC spc_names |
|---|
| 78 | |
|---|
| 79 | INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 |
|---|
| 80 | INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b |
|---|
| 81 | INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t |
|---|
| 82 | INTEGER(iwp) :: cs_pr_count = 0 |
|---|
| 83 | INTEGER(iwp) :: max_pr_cs = 0 |
|---|
| 84 | INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level_ind(s) |
|---|
| 85 | |
|---|
| 86 | LOGICAL :: constant_top_csflux(99) = .TRUE. !< chem spcs at the top orig .TRUE. |
|---|
| 87 | LOGICAL :: constant_csflux(99) = .TRUE. !< chem spcs at namelist parameter orig TRUE |
|---|
| 88 | LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter |
|---|
| 89 | LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter flag for minimum print output |
|---|
| 90 | LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter flag for print output |
|---|
| 91 | LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter flag for further print output |
|---|
| 92 | LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter |
|---|
| 93 | LOGICAL :: emission_output_required = .TRUE. !< Logical Variable for requiring Emission Outputs |
|---|
| 94 | LOGICAL :: do_emis = .FALSE. !< Flag for turning on chemistry emissions |
|---|
| 95 | LOGICAL :: cs_pr_namelist_found = .FALSE. !< Namelist parameter: Names of t |
|---|
| 96 | LOGICAL :: do_depo = .FALSE. !< namelist parameter for activation of deposition calculation |
|---|
| 97 | |
|---|
| 98 | |
|---|
| 99 | |
|---|
| 100 | !-- Namelist parameters for creating initial chemistry profiles |
|---|
| 101 | REAL(wp) :: wall_csflux (99,0:5) = 0.0_wp !< namelist parameter |
|---|
| 102 | REAL(wp) :: cs_vertical_gradient (99,10) = 0.0_wp !< namelist parameter |
|---|
| 103 | REAL(wp) :: cs_vertical_gradient_level (99,10) = -999999.9_wp !< namelist parameter |
|---|
| 104 | REAL(wp) :: top_csflux ( 99 ) = 0.0_wp !< namelist parameter |
|---|
| 105 | REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter |
|---|
| 106 | REAL(wp) :: surface_csflux(99 ) = 0.0_wp !< namelist parameter: fluxes where 'surface_csflux_name' is in the namelist |
|---|
| 107 | |
|---|
| 108 | REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val |
|---|
| 109 | REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem spcs |
|---|
| 110 | REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< Namelist parameter: Surface conc of chem spcs' |
|---|
| 111 | REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< Namelist parameter: Height lvls(m) for cs_profiles |
|---|
| 112 | REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< Namelist parameter: Chem conc for each spcs defined |
|---|
| 113 | |
|---|
| 114 | |
|---|
| 115 | #if defined( __nopointer ) |
|---|
| 116 | REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: cs !< chem spcs |
|---|
| 117 | REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: cs_p !< prognostic value of chem spc |
|---|
| 118 | REAL(wp), DIMENSION(:,:,:), ALLOCATABLE, TARGET :: tcs_m !< weighted tendency of cs for previous sub-timestep (Runge-Kutta) |
|---|
| 119 | |
|---|
| 120 | #else |
|---|
| 121 | ! use pointers cs, cs_p and tcs_m to point arrays cs_1, cs_2, and cs_3 |
|---|
| 122 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity |
|---|
| 123 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity |
|---|
| 124 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity |
|---|
| 125 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs) |
|---|
| 126 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs |
|---|
| 127 | REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: |
|---|
| 128 | |
|---|
| 129 | #endif |
|---|
| 130 | |
|---|
| 131 | CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter |
|---|
| 132 | CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter |
|---|
| 133 | CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< Namelist parameter: chem spcs names |
|---|
| 134 | CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< Namelist parameter: Names of the chem for profiles |
|---|
| 135 | CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< Namelist parameter: chem species surface fluxes names |
|---|
| 136 | !< active chem spcs, default is 'novalue') ???? |
|---|
| 137 | CHARACTER (LEN=80) :: mode_emis ='PARAMETERIZED' !< Mode of chemistry emissions: DEFAULT .OR. EXPERT .OR. |
|---|
| 138 | ! PARAMETERIZED |
|---|
| 139 | CHARACTER (LEN=80) :: time_fac_type ='MDH' !< Type of time treatment in the emis DEFAULT mode: HOUR .OR. MDH |
|---|
| 140 | CHARACTER (LEN=80) :: daytype_mdh ='workday' !< Type of day in the MDH case: workday, weekend, holiday |
|---|
| 141 | CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< Namelist parameter: Names of the che m for profile output |
|---|
| 142 | !< by cs_name for each height lvls defined by cs_heights |
|---|
| 143 | ! |
|---|
| 144 | !-- Namelist parameters for chem_emissions |
|---|
| 145 | INTEGER(iwp) :: main_street_id = 0 |
|---|
| 146 | INTEGER(iwp) :: max_street_id = 0 |
|---|
| 147 | INTEGER(iwp) :: side_street_id = 0 |
|---|
| 148 | ! |
|---|
| 149 | !-- Constant emission factors |
|---|
| 150 | REAL(wp) :: emiss_factor_main ( 99 ) = -9999.0_wp |
|---|
| 151 | REAL(wp) :: emiss_factor_side ( 99 ) = -9999.0_wp |
|---|
| 152 | |
|---|
| 153 | !-- Other Emissions Variables |
|---|
| 154 | INTEGER(iwp) :: nspec_out !< Output of routine chem_emis_matching with |
|---|
| 155 | !< number of matched species |
|---|
| 156 | REAL(wp),ALLOCATABLE, DIMENSION(:,:,:,:) :: emis_distribution !> Emissions Final Values (main module output) |
|---|
| 157 | |
|---|
| 158 | INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_input !< Index of Input chem species for matching routine |
|---|
| 159 | INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_model !< Index of Model chem species for matching routine |
|---|
| 160 | INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_voc_input !< index of VOC input components matching the model's VOCs |
|---|
| 161 | INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. |
|---|
| 162 | INTEGER(iwp),DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs |
|---|
| 163 | INTEGER(iwp),DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx |
|---|
| 164 | INTEGER(iwp),DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! |
|---|
| 165 | ! TBD: evaluate whether to make them allocatable |
|---|
| 166 | ! and allocate their dimension in the matching |
|---|
| 167 | ! routine according to the number of components |
|---|
| 168 | ! matching between the model and the input files |
|---|
| 169 | |
|---|
| 170 | |
|---|
| 171 | !-- Selected atomic/molecular weights: |
|---|
| 172 | |
|---|
| 173 | REAL, PARAMETER :: xm_H = 1.00790e-3 ! kg/mol |
|---|
| 174 | REAL, PARAMETER :: xm_N = 14.00670e-3 ! kg/mol |
|---|
| 175 | REAL, PARAMETER :: xm_C = 12.01115e-3 ! kg/mol |
|---|
| 176 | REAL, PARAMETER :: xm_S = 32.06400e-3 ! kg/mol |
|---|
| 177 | REAL, PARAMETER :: xm_O = 15.99940e-3 ! kg/mol |
|---|
| 178 | REAL, PARAMETER :: xm_F = 18.99840e-3 ! kg/mol |
|---|
| 179 | REAL, PARAMETER :: xm_Na = 22.98977e-3 ! kg/mol |
|---|
| 180 | REAL, PARAMETER :: xm_Cl = 35.45300e-3 ! kg/mol |
|---|
| 181 | REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 ! kg/mol |
|---|
| 182 | REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 ! kg/mol |
|---|
| 183 | REAL, PARAMETER :: xm_Ca = 40.07800e-3 ! kg/mol |
|---|
| 184 | REAL, PARAMETER :: xm_K = 39.09800e-3 ! kg/mol |
|---|
| 185 | REAL, PARAMETER :: xm_Mg = 24.30500e-3 ! kg/mol |
|---|
| 186 | REAL, PARAMETER :: xm_Pb = 207.20000e-3 ! kg/mol |
|---|
| 187 | REAL, PARAMETER :: xm_Cd = 112.41000e-3 ! kg/mol |
|---|
| 188 | |
|---|
| 189 | REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O ! kg/mol |
|---|
| 190 | REAL, PARAMETER :: xm_o3 = xm_O * 3 ! kg/mol |
|---|
| 191 | REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 ! kg/mol |
|---|
| 192 | REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 ! kg/mol |
|---|
| 193 | REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 ! kg/mol |
|---|
| 194 | REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 ! kg/mol |
|---|
| 195 | REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 ! kg/mol |
|---|
| 196 | REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 ! kg/mol |
|---|
| 197 | |
|---|
| 198 | ! mass of air |
|---|
| 199 | REAL, PARAMETER :: xm_air = 28.964e-3 ! kg/mol |
|---|
| 200 | |
|---|
| 201 | ! dummy weight, used for complex molecules: |
|---|
| 202 | REAL, PARAMETER :: xm_dummy = 1000.0e-3 ! kg/mol |
|---|
| 203 | |
|---|
| 204 | |
|---|
| 205 | SAVE |
|---|
| 206 | END MODULE chem_modules |
|---|
| 207 | |
|---|
