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 4182 2019-08-22 15:20:23Z scharf $ |
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29 | ! Corrected "Former revisions" section |
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30 | ! |
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31 | ! 4110 2019-07-22 17:05:21Z suehring |
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32 | ! +cs_advc_flags_s |
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33 | ! |
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34 | ! 4109 2019-07-22 17:00:34Z suehring |
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35 | ! - introduced namelist item chem_modules@emiss_lod as future |
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36 | ! - replacement to chem_modules@mode_emis. Currently keeping both |
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37 | ! for backward compatibility. chem_modules@mode_emis will be |
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38 | ! depreciated upon migration of all dependent modules (e.g., salsa) |
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39 | ! to chem_modules@emiss_lod |
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40 | ! |
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41 | ! (ecc) 20190513 replaced nspec_out with n_matched_vars |
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42 | ! |
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43 | ! 3877 2019-04-08 19:09:16Z knoop |
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44 | ! Formatting, clean-up, clarified/corrected comments |
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45 | ! |
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46 | ! 3833 2019-03-28 15:04:04Z forkel |
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47 | ! removed USE chem_gasphase_mod |
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48 | ! |
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49 | ! 3827 2019-03-27 17:20:32Z forkel |
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50 | ! some formatting and reordering (ecc) |
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51 | ! |
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52 | ! 3820 2019-03-27 11:53:41Z forkel |
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53 | ! renamed do_emis to emissions_anthropogenic, removed USE statistics, variables sorted by type |
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54 | ! |
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55 | ! |
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56 | ! 3780 2019-03-05 11:19:45Z forkel |
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57 | ! added cs_mech |
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58 | ! |
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59 | ! 3652 2019-01-07 15:29:59Z forkel |
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60 | ! parameter chem_mechanism added (basit) |
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61 | ! |
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62 | ! 3282 2018-09-27 10:49:12Z basit |
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63 | ! Initial revision |
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64 | ! |
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65 | ! Authors: |
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66 | ! -------- |
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67 | ! @author Farah Kanani-Suehring |
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68 | ! @author Basit Khan |
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69 | ! @author Sabine Banzhaf |
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70 | ! @author Emmanuele Russo |
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71 | ! @author Edward C. Chan |
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72 | ! |
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73 | !------------------------------------------------------------------------------! |
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74 | ! Description: |
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75 | ! ------------ |
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76 | !> Definition of global PALM-4U chemistry variables |
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77 | !------------------------------------------------------------------------------! |
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78 | ! |
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79 | MODULE chem_modules |
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80 | |
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81 | USE kinds |
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82 | |
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83 | IMPLICIT NONE |
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84 | |
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85 | CHARACTER (LEN=20) :: bc_cs_b = 'dirichlet' !< namelist parameter: surface boundary condition for concentration |
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86 | CHARACTER (LEN=20) :: bc_cs_t = 'initial_gradient' !< namelist parameter: top boudary condition for concentration |
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87 | CHARACTER (LEN=30) :: chem_mechanism = 'phstatp' !< namelist parameter: chemistry mechanism |
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88 | CHARACTER (LEN=80) :: daytype_mdh = 'workday' !< namelist parameter: type of day - workday, weekend, holiday |
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89 | CHARACTER (LEN=80) :: mode_emis = 'PARAMETERIZED' !< namelist parameter: mode of chemistry emissions - DEFAULT, EXPERT, PARAMETERIZED |
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90 | CHARACTER (LEN=80) :: time_fac_type = 'MDH' !< namelist parameter: type of time treatment in the mode_emis DEFAULT - HOUR, MDH |
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91 | CHARACTER (LEN=10) :: photolysis_scheme !< 'constant', |
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92 | !< 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 |
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93 | !< 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED |
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94 | |
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95 | CHARACTER (LEN=11), DIMENSION(99) :: cs_name = 'novalue' !< namelist parameter: names of species with given fluxes (see csflux) |
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96 | CHARACTER (LEN=11), DIMENSION(99) :: cs_profile_name = 'novalue' !< namelist parameter: tbc...??? |
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97 | CHARACTER (LEN=11), DIMENSION(99) :: data_output_pr_cs = 'novalue' !< namelist parameter: tbc...??? |
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98 | CHARACTER (LEN=11), DIMENSION(99) :: surface_csflux_name = 'novalue' !< namelist parameter: tbc...??? |
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99 | |
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100 | INTEGER(iwp) :: cs_pr_count = 0 !< counter for chemical species profiles |
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101 | INTEGER(iwp) :: cs_vertical_gradient_level_ind(99,10) = -9999 !< grid index values of cs_vertical_gradient_level |
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102 | INTEGER(iwp) :: emiss_lod = -1 !< namelist parameter: chem emission LOD (same as mode_emis) |
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103 | !< -1 = unassigned, 0 = parameterized, 1 = default, 2 = pre-processed |
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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) :: n_matched_vars !< number of matched emissions variables |
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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 | INTEGER(iwp), DIMENSION(:,:,:), ALLOCATABLE :: cs_advc_flags_s !< flags used to degrade order of advection scheme for |
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123 | !< chemical species near walls and lateral boundaries |
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124 | |
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125 | LOGICAL :: constant_top_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no top_csflux is prescribed |
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126 | LOGICAL :: constant_csflux(99) = .TRUE. !< internal flag, set to .FALSE. if no surface_csflux is prescribed |
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127 | LOGICAL :: call_chem_at_all_substeps = .FALSE. !< namelist parameter: ....??? |
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128 | LOGICAL :: chem_debug0 = .FALSE. !< namelist parameter: flag for minimum print output |
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129 | LOGICAL :: chem_debug1 = .FALSE. !< namelist parameter: flag for print output |
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130 | LOGICAL :: chem_debug2 = .FALSE. !< namelist parameter: flag for further print output |
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131 | LOGICAL :: chem_gasphase_on = .TRUE. !< namelist parameter: flag to switch off chemical reactions |
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132 | LOGICAL :: cs_pr_namelist_found = .FALSE. !< ...??? |
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133 | LOGICAL :: deposition_dry = .FALSE. !< namelist parameter: flag for activation of deposition calculation |
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134 | LOGICAL :: emissions_anthropogenic = .FALSE. !< namelist parameter: flag for turning on anthropogenic emissions |
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135 | LOGICAL :: emission_output_required = .TRUE. !< internal flag for requiring emission outputs |
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136 | |
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137 | REAL(wp) :: cs_surface_initial_change(99) = 0.0_wp !< namelist parameter: ...??? |
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138 | REAL(wp) :: cs_vertical_gradient(99,10) = 0.0_wp !< namelist parameter: ...??? |
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139 | REAL(wp) :: cs_vertical_gradient_level(99,10) = -999999.9_wp !< namelist parameter: ...??? |
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140 | REAL(wp) :: emiss_factor_main(99) = -9999.0_wp !< namelist parameter: ...??? |
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141 | REAL(wp) :: emiss_factor_side(99) = -9999.0_wp !< namelist parameter: ...??? |
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142 | REAL(wp) :: surface_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
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143 | REAL(wp) :: top_csflux(99) = 0.0_wp !< namelist parameter: ...??? |
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144 | REAL(wp) :: wall_csflux(99,0:5) = 0.0_wp !< namelist parameter: ...??? |
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145 | |
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146 | REAL(wp), DIMENSION(99) :: cs_surface = 0.0_wp !< namelist parameter: chem species concentration at surface |
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147 | REAL(wp), DIMENSION(99,100) :: cs_heights = 9999999.9_wp !< namelist parameter: height levels for initial chem species concentrations |
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148 | REAL(wp), DIMENSION(99,100) :: cs_profile = 9999999.9_wp !< namelist parameter: chem species concentration values at cs_heights levels |
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149 | |
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150 | REAL(wp), DIMENSION(:), ALLOCATABLE :: bc_cs_t_val !< vertical gradient of chemical species near domain top |
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151 | REAL(wp), DIMENSION(:), ALLOCATABLE :: css !< scaling parameter for chem species |
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152 | |
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153 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE :: emis_distribution !< emissions final values (main module output) ??? |
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154 | |
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155 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_1 !< pointer for swapping of timelevels for respective quantity |
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156 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_2 !< pointer for swapping of timelevels for respective quantity |
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157 | REAL(wp), DIMENSION(:,:,:,:), ALLOCATABLE, TARGET :: cs_3 !< pointer for swapping of timelevels for respective quantity |
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158 | |
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159 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs !< pointer: sgs chem spcs ??? |
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160 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_p !< pointer: prognostic value of sgs chem spcs ??? |
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161 | REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_m !< pointer: to tcs array (temp) |
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162 | |
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163 | REAL, PARAMETER :: xm_air = 28.964e-3 !< air molecular weight (kg/mol) |
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164 | REAL, PARAMETER :: xm_C = 12.01115e-3 !< C molecular weight (kg/mol) |
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165 | REAL, PARAMETER :: xm_Ca = 40.07800e-3 !< Ca molecular weight (kg/mol) |
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166 | REAL, PARAMETER :: xm_Cd = 112.41000e-3 !< Cd molecular weight (kg/mol) |
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167 | REAL, PARAMETER :: xm_Cl = 35.45300e-3 !< Cl molecular weight (kg/mol) |
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168 | REAL, PARAMETER :: xm_dummy = 1000.0e-3 !< dummy molecular weight (kg/mol) |
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169 | REAL, PARAMETER :: xm_F = 18.99840e-3 !< F molecular weight (kg/mol) |
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170 | REAL, PARAMETER :: xm_H = 1.00790e-3 !< H molecular weight (kg/mol) |
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171 | REAL, PARAMETER :: xm_K = 39.09800e-3 !< K molecular weight (kg/mol) |
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172 | REAL, PARAMETER :: xm_Mg = 24.30500e-3 !< Mg molecular weight (kg/mol) |
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173 | REAL, PARAMETER :: xm_N = 14.00670e-3 !< N molecular weight (kg/mol) |
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174 | REAL, PARAMETER :: xm_Na = 22.98977e-3 !< Na molecular weight (kg/mol) |
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175 | REAL, PARAMETER :: xm_O = 15.99940e-3 !< O molecular weight (kg/mol) |
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176 | REAL, PARAMETER :: xm_Pb = 207.20000e-3 !< Pb molecular weight (kg/mol) |
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177 | REAL, PARAMETER :: xm_Pb210 = 210.00000e-3 !< Pb (210) molecular weight (kg/mol) |
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178 | REAL, PARAMETER :: xm_Rn222 = 222.00000e-3 !< Rn (222) molecular weight (kg/mol) |
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179 | REAL, PARAMETER :: xm_S = 32.06400e-3 !< S molecular weight (kg/mol) |
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180 | REAL, PARAMETER :: xm_CO2 = xm_C + xm_O * 2 !< CO2 molecular weight (kg/mol) |
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181 | REAL, PARAMETER :: xm_h2o = xm_H * 2 + xm_O !< H2O molecular weight (kg/mol) |
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182 | REAL, PARAMETER :: xm_HNO3 = xm_H + xm_N + xm_O * 3 !< HNO3 molecular weight (kg/mol) |
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183 | REAL, PARAMETER :: xm_o3 = xm_O * 3 !< O3 molecular weight (kg/mol) |
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184 | REAL, PARAMETER :: xm_N2O5 = xm_N * 2 + xm_O * 5 !< N2O5 molecular weight (kg/mol) |
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185 | REAL, PARAMETER :: xm_NH4 = xm_N + xm_H * 4 !< NH4 molecular weight (kg/mol) |
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186 | REAL, PARAMETER :: xm_NO3 = xm_N + xm_O * 3 !< NO3 molecular weight (kg/mol) |
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187 | REAL, PARAMETER :: xm_SO4 = xm_S + xm_O * 4 !< SO4 molecular weight (kg/mol) |
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188 | ! |
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189 | !- Define chemical variables within chem_species |
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190 | TYPE species_def |
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191 | CHARACTER(LEN=15) :: name !< name of chemical species |
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192 | CHARACTER(LEN=15) :: unit !< unit (ppm for gases, kg m^-3 for aerosol tracers) |
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193 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc !< concentrations of trace gases |
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194 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_av !< averaged concentrations |
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195 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: conc_p !< conc at prognostic time level |
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196 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: tconc_m !< weighted tendency of conc for previous sub-timestep (Runge-Kutta) |
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197 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:,:) :: cssws_av !< averaged fluxes of trace gases at surface |
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198 | 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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199 | 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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200 | 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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201 | 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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202 | REAL(kind=wp), ALLOCATABLE, DIMENSION(:) :: conc_pr_init !< initial profile of chemical species |
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203 | END TYPE species_def |
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204 | ! |
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205 | !-- Define photolysis frequencies in phot_frequen |
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206 | TYPE photols_def |
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207 | CHARACTER(LEN=15) :: name !< name of pgotolysis frequency |
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208 | CHARACTER(LEN=15) :: unit !< unit (1/s) |
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209 | REAL(kind=wp), POINTER, DIMENSION(:,:,:) :: freq !< photolysis frequency |
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210 | END TYPE photols_def |
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211 | |
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212 | |
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213 | TYPE(species_def), ALLOCATABLE, DIMENSION(:), TARGET :: chem_species |
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214 | TYPE(photols_def), ALLOCATABLE, DIMENSION(:), TARGET :: phot_frequen |
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215 | |
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216 | SAVE |
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217 | |
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218 | END MODULE chem_modules |
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