!> @file chem_modules.f90 !------------------------------------------------------------------------------! ! This file is part of the PALM model system. ! ! PALM is free software: you can redistribute it and/or modify it under the ! terms of the GNU General Public License as published by the Free Software ! Foundation, either version 3 of the License, or (at your option) any later ! version. ! ! PALM is distributed in the hope that it will be useful, but WITHOUT ANY ! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR ! A PARTICULAR PURPOSE. See the GNU General Public License for more details. ! ! You should have received a copy of the GNU General Public License along with ! PALM. If not, see . ! ! Copyright 2018-2018 Leibniz Universitaet Hannover ! Copyright 2018-2018 Karlsruhe Institute of Technology ! Copyright 2018-2018 Freie Universitaet Berlin !------------------------------------------------------------------------------! ! ! Current revisions: ! ----------------- ! ! ! Former revisions: ! ----------------- ! $Id: chem_modules.f90 3820 2019-03-27 11:53:41Z forkel $ ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type ! ! ! 3780 2019-03-05 11:19:45Z forkel ! added cs_mech ! ! 3652 2019-01-07 15:29:59Z forkel ! parameter chem_mechanism added (basit) ! ! 3636 2018-12-19 13:48:34Z raasch ! nopointer option removed ! ! 3611 2018-12-07 14:14:11Z banzhafs ! Minor formatting ! ! 3458 2018-10-30 14:51:23Z kanani ! from chemistry branch r3443: ! ?? ! ! 3298 2018-10-02 12:21:11Z kanani ! - Minor formatting ! - Introduced Variables for Chemistry emissions Module (Russo) ! - Variables and parameters added for 2d and profile output (basit) ! - Converted scalar emission factors to 1-D array of 99 elements each (basit) ! - Removed "__chem" directive (basit) ! ! 3282 2018-09-27 10:49:12Z basit ! Initial revision ! ! Authors: ! -------- ! @author Farah Kanani-Suehring ! @author Basit Khan ! @author Sabine Banzhaf ! @author Emmanuele Russo ! @author Edward C. Chan ! !------------------------------------------------------------------------------! ! Description: ! ------------ !> Definition of global PALM-4U chemistry variables !------------------------------------------------------------------------------! ! MODULE chem_modules USE chem_gasphase_mod, & ONLY: cs_mech, nspec, nvar, spc_names USE control_parameters, & ONLY: varnamelength USE kinds IMPLICIT NONE PUBLIC cs_mech PUBLIC nspec PUBLIC nvar PUBLIC spc_names CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< KPP chmical mechanism CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< Namelist parameter: chem spcs names CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< Namelist parameter: Names of the chem for profiles CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< Namelist parameter: Names of the chem species for profile output !< by cs_name for each height lvls defined by cs_heights CHARACTER (LEN=80) :: daytype_mdh ='workday' !< Type of day in the MDH case: workday, weekend, holiday CHARACTER (LEN=80) :: mode_emis ='PARAMETERIZED' !< Mode of chemistry emissions: DEFAULT .OR. EXPERT .OR. !< PARAMETERIZED CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< Namelist parameter: chem species names with surface fluxes specified !< active chem spcs, default is 'novalue') ???? CHARACTER (LEN=80) :: time_fac_type ='MDH' !< Type of time treatment in the emis DEFAULT mode: HOUR .OR. MDH INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profile (ecc) INTEGER(iwp) :: cs_pr_count = 0 !< namelist parameter : No. of species profiles (ecc) INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level_ind(s) INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_input !< Index of Input chem species for matching routine INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_model !< Index of Model chem species for matching routine INTEGER(iwp),DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx INTEGER(iwp),DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs INTEGER(iwp),DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_voc_input !< index of VOC input components matching the model's VOCs INTEGER(iwp),ALLOCATABLE,DIMENSION(:) :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. INTEGER(iwp) :: main_street_id = 0 !< namelist parameter for chem_emissions : ID for main streets INTEGER(iwp) :: max_pr_cs = 0 !< namelist parameter : Max no. of species profiles (ecc) INTEGER(iwp) :: max_street_id = 0 !< namelist parameter for chem_emissions : maximum street IDs INTEGER(iwp) :: nspec_out !< Output of routine chem_emis_matching with INTEGER(iwp) :: side_street_id = 0 !< namelist paramtger for chem_emissions : ID for side streets LOGICAL :: constant_top_csflux(99) = .TRUE. !< chem spcs at the top orig .TRUE. LOGICAL :: constant_csflux(99) = .TRUE. !< chem spcs at namelist parameter orig TRUE LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter flag for minimum print output LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter flag for print output LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter flag for further print output LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter LOGICAL :: emission_output_required = .TRUE. !< Logical Variable for requiring Emission Outputs LOGICAL :: cs_pr_namelist_found = .FALSE. !< Namelist parameter: Names of t LOGICAL :: deposition_dry = .FALSE. !< namelist parameter for activation of deposition calculation LOGICAL :: emissions_anthropogenic = .FALSE. !< Flag for turning on anthropogenic emissions ! !-- Namelist parameters for creating initial chemistry profiles REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter : initial surface flux difference REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter : vertical gradient REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter : vertical gradient level REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter : fluxes where 'surface_csflux_name' is !< in the namelist REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter : chemical species flux at ceiling REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter : chemical species flux lateral REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< chemical specices time value at BC REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs) REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem spcs REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< Namelist parameter: Chem conc for each spcs defined REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< Namelist parameter: Height lvls(m) for cs_profiles REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< Namelist parameter: Surface conc of chem spcs' REAL(wp),ALLOCATABLE, DIMENSION(:,:,:,:) :: emis_distribution !< Emissions Final Values (main module output) REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< emission factor for main streets REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< emission factor for side streets REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp) ! !-- molecular weights REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol) REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol) REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol) REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol) REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol) REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol) REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol) REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol) REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol) REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol) REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol) REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol) REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol) REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol) REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol) REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol) REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol) REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol) REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol) REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol) REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol) REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol) REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol) REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol) REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol) SAVE END MODULE chem_modules