!> @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 2018-2019 Leibniz Universitaet Hannover ! Copyright 2018-2019 Karlsruhe Institute of Technology ! Copyright 2018-2019 Freie Universitaet Berlin !------------------------------------------------------------------------------! ! ! Current revisions: ! ----------------- ! ! ! Former revisions: ! ----------------- ! $Id: chem_modules.f90 3968 2019-05-13 11:04:01Z moh.hefny $ ! - introduced namelist item chem_modules@emiss_lod as future ! - replacement to chem_modules@mode_emis. Currently keeping both ! for backward compatibility. chem_modules@mode_emis will be ! depreciated upon migration of all dependent modules (e.g., salsa) ! to chem_modules@emiss_lod ! ! (ecc) 20190513 replaced nspec_out with n_matched_vars ! ! 3877 2019-04-08 19:09:16Z knoop ! Formatting, clean-up, clarified/corrected comments ! ! 3833 2019-03-28 15:04:04Z forkel ! removed USE chem_gasphase_mod ! ! 3827 2019-03-27 17:20:32Z forkel ! some formatting and reordering (ecc) ! ! 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 kinds IMPLICIT NONE CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface boundary condition for concentration CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary condition for concentration CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry mechanism CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day - workday, weekend, holiday CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of chemistry emissions - DEFAULT, EXPERT, PARAMETERIZED CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis DEFAULT - HOUR, MDH CHARACTER (LEN=10) :: photolysis_scheme !< 'constant', !< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: names of species with given fluxes (see csflux) CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: tbc...??? CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: tbc...??? CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: tbc...??? INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species profiles INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis) !< -1 = unassigned, 0 = parameterized, 1 = default, 2 = pre-processed INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode INTEGER(iwp) :: max_pr_cs = 0 !< INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode INTEGER(iwp) :: n_matched_vars !< number of matched emissions variables INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs (OpenStreetMaps) for PARAMETERIZED mode INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles 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), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species for matching routine INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species for matching routine INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input components matching the model's VOCs INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no top_csflux is prescribed LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no surface_csflux is prescribed 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: flag to switch off chemical reactions LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...??? LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of deposition calculation LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on anthropogenic emissions LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...??? REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...??? REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...??? REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...??? REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...??? REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...??? REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...??? REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...??? REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species concentration at surface REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels for initial chem species concentrations REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species concentration values at cs_heights levels REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species near domain top REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ??? 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 !< pointer: sgs chem spcs ??? REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ??? REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp) 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) ! !- Define chemical variables within chem_species TYPE species_def CHARACTER(LEN=15) :: name !< name of chemical species CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 for aerosol tracers) REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace gases REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_av !< averaged concentrations REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time level REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc for previous sub-timestep (Runge-Kutta) REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace gases at surface REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at south face of grid box of chemical species (='cs') REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation flux at south face of grid box of chemical species REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at left face of grid box of chemical species (='cs') REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation flux at left face of grid box of chemical species REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical species END TYPE species_def ! !-- Define photolysis frequencies in phot_frequen TYPE photols_def CHARACTER(LEN=15) :: name !< name of pgotolysis frequency CHARACTER(LEN=15) :: unit !< unit (1/s) REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency END TYPE photols_def TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen SAVE END MODULE chem_modules