| 1 | !> @file chem_modules.f90 |
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| 2 | !------------------------------------------------------------------------------! |
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| 3 | ! This file is part of the PALM model system. |
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| 4 | ! |
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| 5 | ! PALM is free software: you can redistribute it and/or modify it under the |
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| 6 | ! terms of the GNU General Public License as published by the Free Software |
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| 7 | ! Foundation, either version 3 of the License, or (at your option) any later |
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| 8 | ! version. |
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| 9 | ! |
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| 10 | ! PALM is distributed in the hope that it will be useful, but WITHOUT ANY |
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| 11 | ! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR |
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| 12 | ! A PARTICULAR PURPOSE. See the GNU General Public License for more details. |
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| 13 | ! |
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| 14 | ! You should have received a copy of the GNU General Public License along with |
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| 15 | ! PALM. If not, see <http://www.gnu.org/licenses/>. |
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| 16 | ! |
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| 17 | ! Copyright 2018-2019 Leibniz Universitaet Hannover |
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| 18 | ! Copyright 2018-2019 Karlsruhe Institute of Technology |
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| 19 | ! Copyright 2018-2019 Freie Universitaet Berlin |
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| 20 | !------------------------------------------------------------------------------! |
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| 21 | ! |
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| 22 | ! Current revisions: |
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| 23 | ! ----------------- |
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| 24 | ! |
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| 25 | ! |
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| 26 | ! Former revisions: |
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| 27 | ! ----------------- |
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| 28 | ! $Id: chem_modules.f90 3877 2019-04-08 19:09:16Z suehring $ |
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| 29 | ! Formatting, clean-up, clarified/corrected comments |
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| 30 | ! |
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| 31 | ! 3833 2019-03-28 15:04:04Z forkel |
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| 32 | ! removed USE chem_gasphase_mod |
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| 33 | ! |
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| 34 | ! 3827 2019-03-27 17:20:32Z forkel |
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| 35 | ! some formatting and reordering (ecc) |
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| 36 | ! |
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| 37 | ! 3820 2019-03-27 11:53:41Z forkel |
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| 38 | ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type |
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| 39 | ! |
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| 40 | ! |
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| 41 | ! 3780 2019-03-05 11:19:45Z forkel |
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| 42 | ! added cs_mech |
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| 43 | ! |
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| 44 | ! 3652 2019-01-07 15:29:59Z forkel |
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| 45 | ! parameter chem_mechanism added (basit) |
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| 46 | ! |
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| 47 | ! 3636 2018-12-19 13:48:34Z raasch |
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| 48 | ! nopointer option removed |
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| 49 | ! |
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| 50 | ! 3611 2018-12-07 14:14:11Z banzhafs |
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| 51 | ! Minor formatting |
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| 52 | ! |
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| 53 | ! 3458 2018-10-30 14:51:23Z kanani |
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| 54 | ! from chemistry branch r3443: |
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| 55 | ! ?? |
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| 56 | ! |
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| 57 | ! 3298 2018-10-02 12:21:11Z kanani |
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| 58 | ! - Minor formatting |
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| 59 | ! - Introduced Variables for Chemistry emissions Module (Russo) |
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| 60 | ! - Variables and parameters added for 2d and profile output (basit) |
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| 61 | ! - Converted scalar emission factors to 1-D array of 99 elements each (basit) |
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| 62 | ! - Removed "__chem" directive (basit) |
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| 63 | ! |
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| 64 | ! 3282 2018-09-27 10:49:12Z basit |
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| 65 | ! Initial revision |
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| 66 | ! |
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| 67 | ! Authors: |
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| 68 | ! -------- |
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| 69 | ! @author Farah Kanani-Suehring |
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| 70 | ! @author Basit Khan |
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| 71 | ! @author Sabine Banzhaf |
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| 72 | ! @author Emmanuele Russo |
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| 73 | ! @author Edward C. Chan |
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| 74 | ! |
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| 75 | !------------------------------------------------------------------------------! |
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| 76 | ! Description: |
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| 77 | ! ------------ |
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| 78 | !> Definition of global PALM-4U chemistry variables |
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| 79 | !------------------------------------------------------------------------------! |
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| 80 | ! |
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| 81 | MODULE chem_modules |
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| 82 | |
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| 83 | USE kinds |
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| 84 | |
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| 85 | IMPLICIT NONE |
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| 86 | |
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| 87 | CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface boundary condition for concentration |
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| 88 | CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary condition for concentration |
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| 89 | CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry mechanism |
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| 90 | CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day - workday, weekend, holiday |
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| 91 | CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of chemistry emissions - DEFAULT, EXPERT, PARAMETERIZED |
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| 92 | CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis DEFAULT - HOUR, MDH |
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| 93 | CHARACTER (LEN=10) :: photolysis_scheme !< 'constant', |
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| 94 | !< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 |
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| 95 | !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED |
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| 96 | |
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| 97 | CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: names of species with given fluxes (see csflux) |
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| 98 | CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: tbc...??? |
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| 99 | CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: tbc...??? |
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| 100 | CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: tbc...??? |
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| 101 | |
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| 102 | INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species profiles |
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| 103 | INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level |
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| 104 | INTEGER(iwp) :: ibc_cs_b !< integer flag for bc_cs_b |
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| 105 | INTEGER(iwp) :: ibc_cs_t !< integer flag for bc_cs_t |
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| 106 | INTEGER(iwp) :: main_street_id = 0 !< namelist parameter: lower bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode |
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| 107 | INTEGER(iwp) :: max_pr_cs = 0 !< |
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| 108 | INTEGER(iwp) :: max_street_id = 0 !< namelist parameter: upper bound of main street IDs (OpenStreetMaps) for PARAMETERIZED mode |
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| 109 | INTEGER(iwp) :: nspec_out !< output of routine chem_emis_matching with.....??? |
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| 110 | INTEGER(iwp) :: side_street_id = 0 !< namelist parameter: lower bound of side street IDs (OpenStreetMaps) for PARAMETERIZED mode |
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| 111 | |
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| 112 | INTEGER(iwp), DIMENSION(99) :: cs_pr_index = 0 !< index for chemical species profiles |
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| 113 | INTEGER(iwp), DIMENSION(:) :: match_spec_nox(1:2) !< results of matching the input and model's NOx |
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| 114 | INTEGER(iwp), DIMENSION(:) :: match_spec_pm(1:3) !< results of matching the input and model's PMs |
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| 115 | INTEGER(iwp), DIMENSION(:) :: match_spec_sox(1:2) !< results of matching the input and model's SOx! |
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| 116 | |
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| 117 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_input !< index of input chem species for matching routine |
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| 118 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_model !< index of model chem species for matching routine |
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| 119 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_input !< index of VOC input components matching the model's VOCs |
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| 120 | INTEGER(iwp), DIMENSION(:), ALLOCATABLE :: match_spec_voc_model !< index of VOC model species matching the input VOCs comp. |
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| 121 | |
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| 122 | LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no top_csflux is prescribed |
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| 123 | LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no surface_csflux is prescribed |
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| 124 | LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....??? |
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| 125 | LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print output |
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| 126 | LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output |
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| 127 | LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print output |
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| 128 | LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off chemical reactions |
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| 129 | LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...??? |
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| 130 | LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of deposition calculation |
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| 131 | LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on anthropogenic emissions |
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| 132 | LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs |
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| 133 | |
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| 134 | REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...??? |
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| 135 | REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...??? |
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| 136 | REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...??? |
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| 137 | REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...??? |
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| 138 | REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...??? |
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| 139 | REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
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| 140 | REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
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| 141 | REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...??? |
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| 142 | |
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| 143 | REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species concentration at surface |
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| 144 | REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels for initial chem species concentrations |
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| 145 | REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species concentration values at cs_heights levels |
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| 146 | |
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| 147 | REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species near domain top |
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| 148 | REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species |
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| 149 | |
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| 150 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ??? |
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| 151 | |
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| 152 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity |
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| 153 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity |
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| 154 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity |
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| 155 | |
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| 156 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ??? |
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| 157 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ??? |
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| 158 | REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp) |
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| 159 | |
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| 160 | REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol) |
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| 161 | REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol) |
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| 162 | REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol) |
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| 163 | REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol) |
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| 164 | REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol) |
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| 165 | REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol) |
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| 166 | REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol) |
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| 167 | REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol) |
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| 168 | REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol) |
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| 169 | REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol) |
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| 170 | REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol) |
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| 171 | REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol) |
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| 172 | REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol) |
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| 173 | REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol) |
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| 174 | REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol) |
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| 175 | REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol) |
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| 176 | REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol) |
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| 177 | REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol) |
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| 178 | REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol) |
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| 179 | REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol) |
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| 180 | REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol) |
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| 181 | REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol) |
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| 182 | REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol) |
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| 183 | REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol) |
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| 184 | REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol) |
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| 185 | ! |
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| 186 | !- Define chemical variables within chem_species |
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| 187 | TYPE species_def |
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| 188 | CHARACTER(LEN=15) :: name !< name of chemical species |
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| 189 | CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 for aerosol tracers) |
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| 190 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace gases |
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| 191 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_av !< averaged concentrations |
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| 192 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time level |
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| 193 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc for previous sub-timestep (Runge-Kutta) |
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| 194 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace gases at surface |
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| 195 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: flux_s_cs !< 6th-order advective flux at south face of grid box of chemical species (='cs') |
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| 196 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: diss_s_cs !< artificial numerical dissipation flux at south face of grid box of chemical species |
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| 197 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: flux_l_cs !< 6th-order advective flux at left face of grid box of chemical species (='cs') |
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| 198 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:,:) :: diss_l_cs !< artificial numerical dissipation flux at left face of grid box of chemical species |
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| 199 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical species |
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| 200 | END TYPE species_def |
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| 201 | ! |
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| 202 | !-- Define photolysis frequencies in phot_frequen |
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| 203 | TYPE photols_def |
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| 204 | CHARACTER(LEN=15) :: name !< name of pgotolysis frequency |
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| 205 | CHARACTER(LEN=15) :: unit !< unit (1/s) |
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| 206 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency |
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| 207 | END TYPE photols_def |
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| 208 | |
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| 209 | |
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| 210 | TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species |
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| 211 | TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen |
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| 212 | |
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| 213 | SAVE |
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| 214 | |
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| 215 | END MODULE chem_modules |
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