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