1 | !> @file chemistry_model_mod.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 2017-2018 Leibniz Universitaet Hannover |
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18 | ! Copyright 2017-2018 Karlsruhe Institute of Technology |
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19 | ! Copyright 2017-2018 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: chemistry_model_mod.f90 3318 2018-10-08 11:43:01Z knoop $ |
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29 | ! Fixed faulty syntax of message string |
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30 | ! |
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31 | ! 3298 2018-10-02 12:21:11Z kanani |
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32 | ! Add remarks (kanani) |
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33 | ! Merge with trunk, replaced cloud_physics by bulk_cloud_model 28.09.2018 forkel |
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34 | ! Subroutines header and chem_check_parameters added 25.09.2018 basit |
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35 | ! Removed chem_emission routine now declared in chem_emissions.f90 30.07.2018 ERUSSO |
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36 | ! Introduced emissions namelist parameters 30.07.2018 ERUSSO |
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37 | ! |
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38 | ! Timestep steering added in subroutine chem_integrate_ij and |
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39 | ! output of chosen solver in chem_parin added 30.07.2018 ketelsen |
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40 | ! |
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41 | ! chem_check_data_output_pr: added unit for PM compounds 20.07.2018 forkel |
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42 | ! replaced : by nzb+1:nzt for pt,q,ql (found by kk) 18.07.2018 forkel |
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43 | ! debugged restart run for chem species 06.07.2018 basit |
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44 | ! reorganized subroutines in alphabetical order. 27.06.2018 basit |
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45 | ! subroutine chem_parin updated for profile output 27.06.2018 basit |
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46 | ! Added humidity arrays to USE section and tmp_qvap in chem_integrate 26.6.2018 forkel |
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47 | ! Merged chemistry with with trunk (nzb_do and nzt_do in 3d output) 26.6.2018 forkel |
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48 | ! |
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49 | ! reorganized subroutines in alphabetical order. basit 22.06.2018 |
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50 | ! subroutine chem_parin updated for profile output basit 22.06.2018 |
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51 | ! subroutine chem_statistics added |
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52 | ! subroutine chem_check_data_output_pr add 21.06.2018 basit |
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53 | ! subroutine chem_data_output_mask added 20.05.2018 basit |
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54 | ! subroutine chem_data_output_2d added 20.05.2018 basit |
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55 | ! subroutine chem_statistics added 04.06.2018 basit |
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56 | ! subroutine chem_emissions: Set cssws to zero before setting values 20.03.2018 forkel |
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57 | ! subroutine chem_emissions: Introduced different conversion factors |
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58 | ! for PM and gaseous compounds 15.03.2018 forkel |
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59 | ! subroutine chem_emissions updated to take variable number of chem_spcs and |
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60 | ! emission factors. 13.03.2018 basit |
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61 | ! chem_boundary_conds_decycle improved. 05.03.2018 basit |
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62 | ! chem_boundary_conds_decycle subroutine added 21.02.2018 basit |
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63 | ! chem_init_profiles subroutines re-activated after correction 21.02.2018 basit |
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64 | ! |
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65 | ! |
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66 | ! 3293 2018-09-28 12:45:20Z forkel |
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67 | ! Modularization of all bulk cloud physics code components |
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68 | ! |
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69 | ! 3248 2018-09-14 09:42:06Z sward |
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70 | ! Minor formating changes |
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71 | ! |
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72 | ! 3246 2018-09-13 15:14:50Z sward |
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73 | ! Added error handling for input namelist via parin_fail_message |
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74 | ! |
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75 | ! 3241 2018-09-12 15:02:00Z raasch |
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76 | ! +nest_chemistry |
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77 | ! |
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78 | ! 3209 2018-08-27 16:58:37Z suehring |
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79 | ! Rename flags indicating outflow boundary conditions |
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80 | ! |
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81 | ! 3182 2018-07-27 13:36:03Z suehring |
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82 | ! Revise output of surface quantities in case of overhanging structures |
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83 | ! |
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84 | ! 3045 2018-05-28 07:55:41Z Giersch |
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85 | ! error messages revised |
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86 | ! |
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87 | ! 3014 2018-05-09 08:42:38Z maronga |
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88 | ! Bugfix: nzb_do and nzt_do were not used for 3d data output |
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89 | ! |
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90 | ! 3004 2018-04-27 12:33:25Z Giersch |
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91 | ! Comment concerning averaged data output added |
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92 | ! |
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93 | ! 2932 2018-03-26 09:39:22Z maronga |
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94 | ! renamed chemistry_par to chemistry_parameters |
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95 | ! |
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96 | ! 2894 2018-03-15 09:17:58Z Giersch |
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97 | ! Calculations of the index range of the subdomain on file which overlaps with |
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98 | ! the current subdomain are already done in read_restart_data_mod, |
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99 | ! chem_last_actions was renamed to chem_wrd_local, chem_read_restart_data was |
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100 | ! renamed to chem_rrd_local, chem_write_var_list was renamed to |
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101 | ! chem_wrd_global, chem_read_var_list was renamed to chem_rrd_global, |
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102 | ! chem_skip_var_list has been removed, variable named found has been |
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103 | ! introduced for checking if restart data was found, reading of restart strings |
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104 | ! has been moved completely to read_restart_data_mod, chem_rrd_local is already |
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105 | ! inside the overlap loop programmed in read_restart_data_mod, todo list has |
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106 | ! bees extended, redundant characters in chem_wrd_local have been removed, |
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107 | ! the marker *** end chemistry *** is not necessary anymore, strings and their |
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108 | ! respective lengths are written out and read now in case of restart runs to |
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109 | ! get rid of prescribed character lengths |
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110 | ! |
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111 | ! 2815 2018-02-19 11:29:57Z suehring |
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112 | ! Bugfix in restart mechanism, |
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113 | ! rename chem_tendency to chem_prognostic_equations, |
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114 | ! implement vector-optimized version of chem_prognostic_equations, |
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115 | ! some clean up (incl. todo list) |
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116 | ! |
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117 | ! 2773 2018-01-30 14:12:54Z suehring |
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118 | ! Declare variables required for nesting as public |
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119 | ! |
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120 | ! 2772 2018-01-29 13:10:35Z suehring |
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121 | ! Bugfix in string handling |
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122 | ! |
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123 | ! 2768 2018-01-24 15:38:29Z kanani |
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124 | ! Shorten lines to maximum length of 132 characters |
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125 | ! |
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126 | ! 2766 2018-01-22 17:17:47Z kanani |
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127 | ! Removed preprocessor directive __chem |
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128 | ! |
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129 | ! 2756 2018-01-16 18:11:14Z suehring |
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130 | ! Fill values in 3D output introduced. |
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131 | ! |
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132 | ! 2718 2018-01-02 08:49:38Z maronga |
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133 | ! Initial revision |
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134 | ! |
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135 | ! |
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136 | ! |
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137 | ! |
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138 | ! Authors: |
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139 | ! -------- |
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140 | ! @author Renate Forkel |
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141 | ! @author Farah Kanani-Suehring |
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142 | ! @author Klaus Ketelsen |
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143 | ! @author Basit Khan |
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144 | ! |
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145 | ! |
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146 | !------------------------------------------------------------------------------! |
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147 | ! Description: |
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148 | ! ------------ |
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149 | !> Chemistry model for PALM-4U |
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150 | !> @todo Adjust chem_rrd_local to CASE structure of others modules. It is not |
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151 | !> allowed to use the chemistry model in a precursor run and additionally |
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152 | !> not using it in a main run |
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153 | !> @todo Update/clean-up todo list! (FK) |
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154 | !> @todo Set proper fill values (/= 0) for chem output arrays! (FK) |
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155 | !> @todo Add routine chem_check_parameters, add checks for inconsistent or |
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156 | !> unallowed parameter settings. |
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157 | !> CALL of chem_check_parameters from check_parameters. (FK) |
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158 | !> @todo Make routine chem_header available, CALL from header.f90 |
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159 | !> (see e.g. how it is done in routine lsm_header in |
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160 | !> land_surface_model_mod.f90). chem_header should include all setup |
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161 | !> info about chemistry parameter settings. (FK) |
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162 | !> @todo Implement turbulent inflow of chem spcs in inflow_turbulence. |
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163 | !> @todo Separate boundary conditions for each chem spcs to be implemented |
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164 | !> @todo Currently only total concentration are calculated. Resolved, parameterized |
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165 | !> and chemistry fluxes although partially and some completely coded but |
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166 | !> are not operational/activated in this version. bK. |
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167 | !> @todo slight differences in passive scalar and chem spcs when chem reactions |
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168 | !> turned off. Need to be fixed. bK |
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169 | !> @todo test nesting for chem spcs, was implemented by suehring (kanani) |
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170 | !> @todo chemistry error messages |
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171 | !> @todo Format this module according to PALM coding standard (see e.g. module |
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172 | !> template under http://palm.muk.uni-hannover.de/mosaik/downloads/8 or |
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173 | !> D3_coding_standard.pdf under https://palm.muk.uni-hannover.de/trac/downloads/16) |
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174 | ! |
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175 | !------------------------------------------------------------------------------! |
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176 | |
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177 | MODULE chemistry_model_mod |
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178 | USE MPI |
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179 | |
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180 | USE kinds, ONLY: wp, iwp |
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181 | USE indices, ONLY: nz, nzb,nzt,nysg,nyng,nxlg,nxrg, & |
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182 | nys,nyn,nx,nxl,nxr,ny,wall_flags_0 |
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183 | USE pegrid, ONLY: myid, threads_per_task |
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184 | |
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185 | USE bulk_cloud_model_mod, & |
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186 | ONLY: bulk_cloud_model |
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187 | |
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188 | USE control_parameters, ONLY: bc_lr_cyc, bc_ns_cyc, dt_3d, humidity, & |
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189 | initializing_actions, message_string, & |
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190 | omega, tsc, intermediate_timestep_count, & |
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191 | intermediate_timestep_count_max, & |
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192 | timestep_scheme, use_prescribed_profile_data, ws_scheme_sca |
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193 | USE arrays_3d, ONLY: exner, hyp, pt, q, ql, rdf_sc, tend, zu |
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194 | USE chem_gasphase_mod, ONLY: nspec, spc_names, nkppctrl, nmaxfixsteps, & |
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195 | t_steps, chem_gasphase_integrate, vl_dim, & |
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196 | nvar, nreact, atol, rtol, nphot, phot_names |
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197 | USE cpulog, ONLY: cpu_log, log_point |
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198 | |
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199 | USE chem_modules |
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200 | |
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201 | USE statistics |
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202 | |
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203 | IMPLICIT NONE |
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204 | PRIVATE |
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205 | SAVE |
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206 | |
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207 | LOGICAL :: nest_chemistry = .TRUE. !< flag for nesting mode of chemical species, independent on parent or not |
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208 | ! |
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209 | !- Define chemical variables |
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210 | TYPE species_def |
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211 | CHARACTER(LEN=8) :: name |
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212 | CHARACTER(LEN=16) :: unit |
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213 | REAL(kind=wp),POINTER,DIMENSION(:,:,:) :: conc |
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214 | REAL(kind=wp),POINTER,DIMENSION(:,:,:) :: conc_av |
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215 | REAL(kind=wp),POINTER,DIMENSION(:,:,:) :: conc_p |
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216 | REAL(kind=wp),POINTER,DIMENSION(:,:,:) :: tconc_m |
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217 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:) :: cssws_av |
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218 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:) :: flux_s_cs |
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219 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:) :: diss_s_cs |
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220 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:) :: flux_l_cs |
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221 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:) :: diss_l_cs |
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222 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:) :: conc_pr_init |
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223 | END TYPE species_def |
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224 | |
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225 | |
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226 | TYPE photols_def |
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227 | CHARACTER(LEN=8) :: name |
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228 | CHARACTER(LEN=16) :: unit |
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229 | REAL(kind=wp),POINTER,DIMENSION(:,:,:) :: freq |
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230 | END TYPE photols_def |
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231 | |
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232 | |
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233 | PUBLIC species_def |
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234 | PUBLIC photols_def |
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235 | |
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236 | |
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237 | TYPE(species_def),ALLOCATABLE,DIMENSION(:),TARGET, PUBLIC :: chem_species |
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238 | TYPE(photols_def),ALLOCATABLE,DIMENSION(:),TARGET, PUBLIC :: phot_frequen |
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239 | |
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240 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:,:),TARGET :: spec_conc_1 |
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241 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:,:),TARGET :: spec_conc_2 |
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242 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:,:),TARGET :: spec_conc_3 |
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243 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:,:),TARGET :: spec_conc_av |
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244 | REAL(kind=wp),ALLOCATABLE,DIMENSION(:,:,:,:),TARGET :: freq_1 |
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245 | |
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246 | INTEGER,DIMENSION(nkppctrl) :: icntrl ! Fine tuning kpp |
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247 | REAL(kind=wp),DIMENSION(nkppctrl) :: rcntrl ! Fine tuning kpp |
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248 | LOGICAL :: decycle_chem_lr = .FALSE. |
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249 | LOGICAL :: decycle_chem_ns = .FALSE. |
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250 | CHARACTER (LEN=20), DIMENSION(4) :: decycle_method = & |
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251 | (/'dirichlet','dirichlet','dirichlet','dirichlet'/) |
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252 | !< Decycling method at horizontal boundaries, |
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253 | !< 1=left, 2=right, 3=south, 4=north |
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254 | !< dirichlet = initial size distribution and |
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255 | !< chemical composition set for the ghost and |
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256 | !< first three layers |
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257 | !< neumann = zero gradient |
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258 | |
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259 | REAL(kind=wp), PUBLIC :: cs_time_step |
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260 | CHARACTER(10), PUBLIC :: photolysis_scheme |
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261 | ! 'constant', |
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262 | ! 'simple' (Simple parameterisation from MCM, Saunders et al., 2003, Atmos. Chem. Phys., 3, 161-180 |
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263 | ! 'fastj' (Wild et al., 2000, J. Atmos. Chem., 37, 245-282) STILL NOT IMPLEMENTED |
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264 | |
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265 | PUBLIC nest_chemistry |
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266 | PUBLIC nspec |
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267 | PUBLIC nreact |
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268 | PUBLIC nvar |
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269 | PUBLIC spc_names |
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270 | PUBLIC spec_conc_2 |
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271 | |
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272 | !- Interface section |
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273 | INTERFACE chem_3d_data_averaging |
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274 | MODULE PROCEDURE chem_3d_data_averaging |
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275 | END INTERFACE chem_3d_data_averaging |
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276 | |
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277 | INTERFACE chem_boundary_conds |
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278 | MODULE PROCEDURE chem_boundary_conds |
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279 | MODULE PROCEDURE chem_boundary_conds_decycle |
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280 | END INTERFACE chem_boundary_conds |
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281 | |
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282 | INTERFACE chem_check_data_output |
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283 | MODULE PROCEDURE chem_check_data_output |
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284 | END INTERFACE chem_check_data_output |
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285 | |
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286 | INTERFACE chem_data_output_2d |
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287 | MODULE PROCEDURE chem_data_output_2d |
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288 | END INTERFACE chem_data_output_2d |
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289 | |
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290 | INTERFACE chem_data_output_3d |
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291 | MODULE PROCEDURE chem_data_output_3d |
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292 | END INTERFACE chem_data_output_3d |
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293 | |
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294 | INTERFACE chem_data_output_mask |
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295 | MODULE PROCEDURE chem_data_output_mask |
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296 | END INTERFACE chem_data_output_mask |
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297 | |
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298 | INTERFACE chem_check_data_output_pr |
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299 | MODULE PROCEDURE chem_check_data_output_pr |
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300 | END INTERFACE chem_check_data_output_pr |
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301 | |
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302 | INTERFACE chem_check_parameters |
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303 | MODULE PROCEDURE chem_check_parameters |
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304 | END INTERFACE chem_check_parameters |
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305 | |
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306 | INTERFACE chem_define_netcdf_grid |
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307 | MODULE PROCEDURE chem_define_netcdf_grid |
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308 | END INTERFACE chem_define_netcdf_grid |
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309 | |
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310 | INTERFACE chem_header |
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311 | MODULE PROCEDURE chem_header |
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312 | END INTERFACE chem_header |
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313 | |
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314 | INTERFACE chem_init |
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315 | MODULE PROCEDURE chem_init |
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316 | END INTERFACE chem_init |
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317 | |
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318 | INTERFACE chem_init_profiles |
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319 | MODULE PROCEDURE chem_init_profiles |
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320 | END INTERFACE chem_init_profiles |
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321 | |
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322 | INTERFACE chem_integrate |
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323 | MODULE PROCEDURE chem_integrate_ij |
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324 | END INTERFACE chem_integrate |
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325 | |
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326 | INTERFACE chem_parin |
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327 | MODULE PROCEDURE chem_parin |
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328 | END INTERFACE chem_parin |
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329 | |
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330 | INTERFACE chem_prognostic_equations |
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331 | MODULE PROCEDURE chem_prognostic_equations |
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332 | MODULE PROCEDURE chem_prognostic_equations_ij |
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333 | END INTERFACE chem_prognostic_equations |
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334 | |
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335 | INTERFACE chem_rrd_local |
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336 | MODULE PROCEDURE chem_rrd_local |
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337 | END INTERFACE chem_rrd_local |
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338 | |
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339 | INTERFACE chem_statistics |
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340 | MODULE PROCEDURE chem_statistics |
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341 | END INTERFACE chem_statistics |
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342 | |
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343 | INTERFACE chem_swap_timelevel |
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344 | MODULE PROCEDURE chem_swap_timelevel |
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345 | END INTERFACE chem_swap_timelevel |
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346 | |
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347 | INTERFACE chem_wrd_local |
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348 | MODULE PROCEDURE chem_wrd_local |
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349 | END INTERFACE chem_wrd_local |
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350 | |
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351 | |
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352 | PUBLIC chem_3d_data_averaging, chem_boundary_conds, chem_check_data_output, & |
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353 | chem_check_data_output_pr, chem_check_parameters, & |
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354 | chem_data_output_2d, chem_data_output_3d, chem_data_output_mask, & |
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355 | chem_define_netcdf_grid, chem_header, chem_init, & |
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356 | chem_init_profiles, chem_integrate, chem_parin, & |
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357 | chem_prognostic_equations, chem_rrd_local, & |
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358 | chem_statistics, chem_swap_timelevel, chem_wrd_local |
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359 | |
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360 | |
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361 | |
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362 | CONTAINS |
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363 | |
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364 | ! |
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365 | !------------------------------------------------------------------------------! |
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366 | ! |
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367 | ! Description: |
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368 | ! ------------ |
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369 | !> Subroutine for averaging 3D data of chemical species. Due to the fact that |
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370 | !> the averaged chem arrays are allocated in chem_init, no if-query concerning |
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371 | !> the allocation is required (in any mode). Attention: If you just specify an |
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372 | !> averaged output quantity in the _p3dr file during restarts the first output |
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373 | !> includes the time between the beginning of the restart run and the first |
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374 | !> output time (not necessarily the whole averaging_interval you have |
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375 | !> specified in your _p3d/_p3dr file ) |
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376 | !------------------------------------------------------------------------------! |
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377 | |
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378 | SUBROUTINE chem_3d_data_averaging ( mode, variable ) |
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379 | |
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380 | USE control_parameters |
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381 | |
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382 | USE indices |
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383 | |
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384 | USE kinds |
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385 | |
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386 | USE surface_mod, & |
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387 | ONLY: surf_def_h, surf_lsm_h, surf_usm_h |
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388 | |
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389 | IMPLICIT NONE |
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390 | |
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391 | CHARACTER (LEN=*) :: mode !< |
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392 | CHARACTER (LEN=*) :: variable !< |
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393 | |
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394 | LOGICAL :: match_def !< flag indicating natural-type surface |
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395 | LOGICAL :: match_lsm !< flag indicating natural-type surface |
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396 | LOGICAL :: match_usm !< flag indicating urban-type surface |
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397 | |
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398 | INTEGER(iwp) :: i !< grid index x direction |
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399 | INTEGER(iwp) :: j !< grid index y direction |
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400 | INTEGER(iwp) :: k !< grid index z direction |
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401 | INTEGER(iwp) :: m !< running index surface type |
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402 | INTEGER(iwp) :: lsp !< running index for chem spcs |
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403 | |
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404 | |
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405 | IF ( mode == 'allocate' ) THEN |
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406 | DO lsp = 1, nspec |
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407 | IF (TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN |
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408 | chem_species(lsp)%conc_av = 0.0_wp |
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409 | |
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410 | ENDIF |
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411 | ENDDO |
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412 | |
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413 | ELSEIF ( mode == 'sum' ) THEN |
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414 | |
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415 | |
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416 | DO lsp = 1, nspec |
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417 | IF (TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN |
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418 | DO i = nxlg, nxrg |
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419 | DO j = nysg, nyng |
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420 | DO k = nzb, nzt+1 |
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421 | chem_species(lsp)%conc_av(k,j,i) = chem_species(lsp)%conc_av(k,j,i) + & |
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422 | chem_species(lsp)%conc(k,j,i) |
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423 | ENDDO |
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424 | ENDDO |
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425 | ENDDO |
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426 | ELSEIF ( TRIM(variable(4:)) == TRIM('cssws*') ) THEN |
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427 | DO i = nxl, nxr |
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428 | DO j = nys, nyn |
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429 | match_def = surf_def_h(0)%start_index(j,i) <= & |
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430 | surf_def_h(0)%end_index(j,i) |
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431 | match_lsm = surf_lsm_h%start_index(j,i) <= & |
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432 | surf_lsm_h%end_index(j,i) |
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433 | match_usm = surf_usm_h%start_index(j,i) <= & |
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434 | surf_usm_h%end_index(j,i) |
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435 | |
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436 | IF ( match_def ) THEN |
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437 | m = surf_def_h(0)%end_index(j,i) |
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438 | chem_species(lsp)%cssws_av(j,i) = & |
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439 | chem_species(lsp)%cssws_av(j,i) + & |
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440 | surf_def_h(0)%cssws(lsp,m) |
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441 | ELSEIF ( match_lsm .AND. .NOT. match_usm ) THEN |
---|
442 | m = surf_lsm_h%end_index(j,i) |
---|
443 | chem_species(lsp)%cssws_av(j,i) = & |
---|
444 | chem_species(lsp)%cssws_av(j,i) + & |
---|
445 | surf_lsm_h%cssws(lsp,m) |
---|
446 | ELSEIF ( match_usm ) THEN |
---|
447 | m = surf_usm_h%end_index(j,i) |
---|
448 | chem_species(lsp)%cssws_av(j,i) = & |
---|
449 | chem_species(lsp)%cssws_av(j,i) + & |
---|
450 | surf_usm_h%cssws(lsp,m) |
---|
451 | ENDIF |
---|
452 | ENDDO |
---|
453 | ENDDO |
---|
454 | ENDIF |
---|
455 | ENDDO |
---|
456 | |
---|
457 | ELSEIF ( mode == 'average' ) THEN |
---|
458 | DO lsp = 1, nspec |
---|
459 | IF (TRIM(variable(4:)) == TRIM(chem_species(lsp)%name)) THEN |
---|
460 | DO i = nxlg, nxrg |
---|
461 | DO j = nysg, nyng |
---|
462 | DO k = nzb, nzt+1 |
---|
463 | chem_species(lsp)%conc_av(k,j,i) = chem_species(lsp)%conc_av(k,j,i) / REAL( average_count_3d, KIND=wp ) |
---|
464 | ENDDO |
---|
465 | ENDDO |
---|
466 | ENDDO |
---|
467 | |
---|
468 | ELSEIF (TRIM(variable(4:)) == TRIM('cssws*') ) THEN |
---|
469 | DO i = nxlg, nxrg |
---|
470 | DO j = nysg, nyng |
---|
471 | chem_species(lsp)%cssws_av(j,i) = chem_species(lsp)%cssws_av(j,i) / REAL( average_count_3d, KIND=wp ) |
---|
472 | ENDDO |
---|
473 | ENDDO |
---|
474 | CALL exchange_horiz_2d( chem_species(lsp)%cssws_av, nbgp ) |
---|
475 | ENDIF |
---|
476 | ENDDO |
---|
477 | |
---|
478 | ENDIF |
---|
479 | |
---|
480 | END SUBROUTINE chem_3d_data_averaging |
---|
481 | |
---|
482 | ! |
---|
483 | !------------------------------------------------------------------------------! |
---|
484 | ! |
---|
485 | ! Description: |
---|
486 | ! ------------ |
---|
487 | !> Subroutine to initialize and set all boundary conditions for chemical species |
---|
488 | !------------------------------------------------------------------------------! |
---|
489 | |
---|
490 | SUBROUTINE chem_boundary_conds( mode ) |
---|
491 | |
---|
492 | USE control_parameters, & |
---|
493 | ONLY: air_chemistry, bc_radiation_l, bc_radiation_n, bc_radiation_r, & |
---|
494 | bc_radiation_s |
---|
495 | USE indices, & |
---|
496 | ONLY: nxl, nxr, nxlg, nxrg, nyng, nysg, nzt |
---|
497 | |
---|
498 | |
---|
499 | USE arrays_3d, & |
---|
500 | ONLY: dzu |
---|
501 | USE surface_mod, & |
---|
502 | ONLY: bc_h |
---|
503 | |
---|
504 | CHARACTER (len=*), INTENT(IN) :: mode |
---|
505 | INTEGER(iwp) :: i !< grid index x direction. |
---|
506 | INTEGER(iwp) :: j !< grid index y direction. |
---|
507 | INTEGER(iwp) :: k !< grid index z direction. |
---|
508 | INTEGER(iwp) :: kb !< variable to set respective boundary value, depends on facing. |
---|
509 | INTEGER(iwp) :: l !< running index boundary type, for up- and downward-facing walls. |
---|
510 | INTEGER(iwp) :: m !< running index surface elements. |
---|
511 | INTEGER(iwp) :: lsp !< running index for chem spcs. |
---|
512 | INTEGER(iwp) :: lph !< running index for photolysis frequencies |
---|
513 | |
---|
514 | |
---|
515 | SELECT CASE ( TRIM( mode ) ) |
---|
516 | CASE ( 'init' ) |
---|
517 | |
---|
518 | IF ( bc_cs_b == 'dirichlet' ) THEN |
---|
519 | ibc_cs_b = 0 |
---|
520 | ELSEIF ( bc_cs_b == 'neumann' ) THEN |
---|
521 | ibc_cs_b = 1 |
---|
522 | ELSE |
---|
523 | message_string = 'unknown boundary condition: bc_cs_b ="' // TRIM( bc_cs_b ) // '"' |
---|
524 | CALL message( 'chem_boundary_conds', 'CM0429', 1, 2, 0, 6, 0 ) !< |
---|
525 | ENDIF |
---|
526 | ! |
---|
527 | !-- Set Integer flags and check for possible erroneous settings for top |
---|
528 | !-- boundary condition. |
---|
529 | IF ( bc_cs_t == 'dirichlet' ) THEN |
---|
530 | ibc_cs_t = 0 |
---|
531 | ELSEIF ( bc_cs_t == 'neumann' ) THEN |
---|
532 | ibc_cs_t = 1 |
---|
533 | ELSEIF ( bc_cs_t == 'initial_gradient' ) THEN |
---|
534 | ibc_cs_t = 2 |
---|
535 | ELSEIF ( bc_cs_t == 'nested' ) THEN |
---|
536 | ibc_cs_t = 3 |
---|
537 | ELSE |
---|
538 | message_string = 'unknown boundary condition: bc_c_t ="' // TRIM( bc_cs_t ) // '"' |
---|
539 | CALL message( 'check_parameters', 'CM0430', 1, 2, 0, 6, 0 ) |
---|
540 | ENDIF |
---|
541 | |
---|
542 | |
---|
543 | CASE ( 'set_bc_bottomtop' ) |
---|
544 | !-- Bottom boundary condtions for chemical species |
---|
545 | DO lsp = 1, nspec |
---|
546 | IF ( ibc_cs_b == 0 ) THEN |
---|
547 | DO l = 0, 1 |
---|
548 | !-- Set index kb: For upward-facing surfaces (l=0), kb=-1, i.e. |
---|
549 | !-- the chem_species(nspec)%conc_p value at the topography top (k-1) |
---|
550 | !-- is set; for downward-facing surfaces (l=1), kb=1, i.e. the |
---|
551 | !-- value at the topography bottom (k+1) is set. |
---|
552 | |
---|
553 | kb = MERGE( -1, 1, l == 0 ) |
---|
554 | !$OMP PARALLEL DO PRIVATE( i, j, k ) |
---|
555 | DO m = 1, bc_h(l)%ns |
---|
556 | i = bc_h(l)%i(m) |
---|
557 | j = bc_h(l)%j(m) |
---|
558 | k = bc_h(l)%k(m) |
---|
559 | chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc(k+kb,j,i) |
---|
560 | ENDDO |
---|
561 | ENDDO |
---|
562 | |
---|
563 | ELSEIF ( ibc_cs_b == 1 ) THEN |
---|
564 | !-- in boundary_conds there is som extra loop over m here for passive tracer |
---|
565 | DO l = 0, 1 |
---|
566 | kb = MERGE( -1, 1, l == 0 ) |
---|
567 | !$OMP PARALLEL DO PRIVATE( i, j, k ) |
---|
568 | DO m = 1, bc_h(l)%ns |
---|
569 | i = bc_h(l)%i(m) |
---|
570 | j = bc_h(l)%j(m) |
---|
571 | k = bc_h(l)%k(m) |
---|
572 | chem_species(lsp)%conc_p(k+kb,j,i) = chem_species(lsp)%conc_p(k,j,i) |
---|
573 | |
---|
574 | ENDDO |
---|
575 | ENDDO |
---|
576 | ENDIF |
---|
577 | ENDDO ! end lsp loop |
---|
578 | |
---|
579 | !-- Top boundary conditions for chemical species - Should this not be done for all species? |
---|
580 | IF ( ibc_cs_t == 0 ) THEN |
---|
581 | DO lsp = 1, nspec |
---|
582 | chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc(nzt+1,:,:) |
---|
583 | ENDDO |
---|
584 | ELSEIF ( ibc_cs_t == 1 ) THEN |
---|
585 | DO lsp = 1, nspec |
---|
586 | chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:) |
---|
587 | ENDDO |
---|
588 | ELSEIF ( ibc_cs_t == 2 ) THEN |
---|
589 | DO lsp = 1, nspec |
---|
590 | chem_species(lsp)%conc_p(nzt+1,:,:) = chem_species(lsp)%conc_p(nzt,:,:) + bc_cs_t_val(lsp) * dzu(nzt+1) |
---|
591 | ENDDO |
---|
592 | ENDIF |
---|
593 | ! |
---|
594 | CASE ( 'set_bc_lateral' ) |
---|
595 | !-- Lateral boundary conditions for chem species at inflow boundary |
---|
596 | !-- are automatically set when chem_species concentration is |
---|
597 | !-- initialized. The initially set value at the inflow boundary is not |
---|
598 | !-- touched during time integration, hence, this boundary value remains |
---|
599 | !-- at a constant value, which is the concentration that flows into the |
---|
600 | !-- domain. |
---|
601 | !-- Lateral boundary conditions for chem species at outflow boundary |
---|
602 | |
---|
603 | IF ( bc_radiation_s ) THEN |
---|
604 | DO lsp = 1, nspec |
---|
605 | chem_species(lsp)%conc_p(:,nys-1,:) = chem_species(lsp)%conc_p(:,nys,:) |
---|
606 | ENDDO |
---|
607 | ELSEIF ( bc_radiation_n ) THEN |
---|
608 | DO lsp = 1, nspec |
---|
609 | chem_species(lsp)%conc_p(:,nyn+1,:) = chem_species(lsp)%conc_p(:,nyn,:) |
---|
610 | ENDDO |
---|
611 | ELSEIF ( bc_radiation_l ) THEN |
---|
612 | DO lsp = 1, nspec |
---|
613 | chem_species(lsp)%conc_p(:,:,nxl-1) = chem_species(lsp)%conc_p(:,:,nxl) |
---|
614 | ENDDO |
---|
615 | ELSEIF ( bc_radiation_r ) THEN |
---|
616 | DO lsp = 1, nspec |
---|
617 | chem_species(lsp)%conc_p(:,:,nxr+1) = chem_species(lsp)%conc_p(:,:,nxr) |
---|
618 | ENDDO |
---|
619 | ENDIF |
---|
620 | |
---|
621 | END SELECT |
---|
622 | |
---|
623 | END SUBROUTINE chem_boundary_conds |
---|
624 | |
---|
625 | ! |
---|
626 | !------------------------------------------------------------------------------! |
---|
627 | ! Description: |
---|
628 | ! ------------ |
---|
629 | !> Boundary conditions for prognostic variables in chemistry: decycling in the |
---|
630 | !> x-direction |
---|
631 | !----------------------------------------------------------------------------- |
---|
632 | SUBROUTINE chem_boundary_conds_decycle (cs_3d, cs_pr_init ) |
---|
633 | USE pegrid, & |
---|
634 | ONLY: myid |
---|
635 | |
---|
636 | IMPLICIT NONE |
---|
637 | INTEGER(iwp) :: boundary !< |
---|
638 | INTEGER(iwp) :: ee !< |
---|
639 | INTEGER(iwp) :: copied !< |
---|
640 | INTEGER(iwp) :: i !< |
---|
641 | INTEGER(iwp) :: j !< |
---|
642 | INTEGER(iwp) :: k !< |
---|
643 | INTEGER(iwp) :: ss !< |
---|
644 | REAL(wp), DIMENSION(nzb:nzt+1) :: cs_pr_init |
---|
645 | REAL(wp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: cs_3d |
---|
646 | REAL(wp) :: flag !< flag to mask topography grid points |
---|
647 | |
---|
648 | flag = 0.0_wp |
---|
649 | |
---|
650 | |
---|
651 | !-- Left and right boundaries |
---|
652 | IF ( decycle_chem_lr .AND. bc_lr_cyc ) THEN |
---|
653 | |
---|
654 | DO boundary = 1, 2 |
---|
655 | |
---|
656 | IF ( decycle_method(boundary) == 'dirichlet' ) THEN |
---|
657 | ! |
---|
658 | !-- Initial profile is copied to ghost and first three layers |
---|
659 | ss = 1 |
---|
660 | ee = 0 |
---|
661 | IF ( boundary == 1 .AND. nxl == 0 ) THEN |
---|
662 | ss = nxlg |
---|
663 | ee = nxl+2 |
---|
664 | ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN |
---|
665 | ss = nxr-2 |
---|
666 | ee = nxrg |
---|
667 | ENDIF |
---|
668 | |
---|
669 | DO i = ss, ee |
---|
670 | DO j = nysg, nyng |
---|
671 | DO k = nzb+1, nzt |
---|
672 | flag = MERGE( 1.0_wp, 0.0_wp, & |
---|
673 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
674 | cs_3d(k,j,i) = cs_pr_init(k) * flag |
---|
675 | ENDDO |
---|
676 | ENDDO |
---|
677 | ENDDO |
---|
678 | |
---|
679 | ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN |
---|
680 | ! |
---|
681 | !-- The value at the boundary is copied to the ghost layers to simulate |
---|
682 | !-- an outlet with zero gradient |
---|
683 | ss = 1 |
---|
684 | ee = 0 |
---|
685 | IF ( boundary == 1 .AND. nxl == 0 ) THEN |
---|
686 | ss = nxlg |
---|
687 | ee = nxl-1 |
---|
688 | copied = nxl |
---|
689 | ELSEIF ( boundary == 2 .AND. nxr == nx ) THEN |
---|
690 | ss = nxr+1 |
---|
691 | ee = nxrg |
---|
692 | copied = nxr |
---|
693 | ENDIF |
---|
694 | |
---|
695 | DO i = ss, ee |
---|
696 | DO j = nysg, nyng |
---|
697 | DO k = nzb+1, nzt |
---|
698 | flag = MERGE( 1.0_wp, 0.0_wp, & |
---|
699 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
700 | cs_3d(k,j,i) = cs_3d(k,j,copied) * flag |
---|
701 | ENDDO |
---|
702 | ENDDO |
---|
703 | ENDDO |
---|
704 | |
---|
705 | ELSE |
---|
706 | WRITE(message_string,*) & |
---|
707 | 'unknown decycling method: decycle_method (', & |
---|
708 | boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"' |
---|
709 | CALL message( 'chem_boundary_conds_decycle', 'CM0431', & |
---|
710 | 1, 2, 0, 6, 0 ) |
---|
711 | ENDIF |
---|
712 | ENDDO |
---|
713 | ENDIF |
---|
714 | |
---|
715 | |
---|
716 | !-- South and north boundaries |
---|
717 | IF ( decycle_chem_ns .AND. bc_ns_cyc ) THEN |
---|
718 | |
---|
719 | DO boundary = 3, 4 |
---|
720 | |
---|
721 | IF ( decycle_method(boundary) == 'dirichlet' ) THEN |
---|
722 | ! |
---|
723 | !-- Initial profile is copied to ghost and first three layers |
---|
724 | ss = 1 |
---|
725 | ee = 0 |
---|
726 | IF ( boundary == 3 .AND. nys == 0 ) THEN |
---|
727 | ss = nysg |
---|
728 | ee = nys+2 |
---|
729 | ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN |
---|
730 | ss = nyn-2 |
---|
731 | ee = nyng |
---|
732 | ENDIF |
---|
733 | |
---|
734 | DO i = nxlg, nxrg |
---|
735 | DO j = ss, ee |
---|
736 | DO k = nzb+1, nzt |
---|
737 | flag = MERGE( 1.0_wp, 0.0_wp, & |
---|
738 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
739 | cs_3d(k,j,i) = cs_pr_init(k) * flag |
---|
740 | ENDDO |
---|
741 | ENDDO |
---|
742 | ENDDO |
---|
743 | |
---|
744 | |
---|
745 | ELSEIF ( decycle_method(boundary) == 'neumann' ) THEN |
---|
746 | ! |
---|
747 | !-- The value at the boundary is copied to the ghost layers to simulate |
---|
748 | !-- an outlet with zero gradient |
---|
749 | ss = 1 |
---|
750 | ee = 0 |
---|
751 | IF ( boundary == 3 .AND. nys == 0 ) THEN |
---|
752 | ss = nysg |
---|
753 | ee = nys-1 |
---|
754 | copied = nys |
---|
755 | ELSEIF ( boundary == 4 .AND. nyn == ny ) THEN |
---|
756 | ss = nyn+1 |
---|
757 | ee = nyng |
---|
758 | copied = nyn |
---|
759 | ENDIF |
---|
760 | |
---|
761 | DO i = nxlg, nxrg |
---|
762 | DO j = ss, ee |
---|
763 | DO k = nzb+1, nzt |
---|
764 | flag = MERGE( 1.0_wp, 0.0_wp, & |
---|
765 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
766 | cs_3d(k,j,i) = cs_3d(k,copied,i) * flag |
---|
767 | ENDDO |
---|
768 | ENDDO |
---|
769 | ENDDO |
---|
770 | |
---|
771 | ELSE |
---|
772 | WRITE(message_string,*) & |
---|
773 | 'unknown decycling method: decycle_method (', & |
---|
774 | boundary, ') ="' // TRIM( decycle_method(boundary) ) // '"' |
---|
775 | CALL message( 'chem_boundary_conds_decycle', 'CM0432', & |
---|
776 | 1, 2, 0, 6, 0 ) |
---|
777 | ENDIF |
---|
778 | ENDDO |
---|
779 | ENDIF |
---|
780 | END SUBROUTINE chem_boundary_conds_decycle |
---|
781 | ! |
---|
782 | !------------------------------------------------------------------------------! |
---|
783 | ! |
---|
784 | ! Description: |
---|
785 | ! ------------ |
---|
786 | !> Subroutine for checking data output for chemical species |
---|
787 | !------------------------------------------------------------------------------! |
---|
788 | |
---|
789 | SUBROUTINE chem_check_data_output( var, unit, i, ilen, k ) |
---|
790 | |
---|
791 | |
---|
792 | USE control_parameters, & |
---|
793 | ONLY: data_output, message_string |
---|
794 | |
---|
795 | IMPLICIT NONE |
---|
796 | |
---|
797 | CHARACTER (LEN=*) :: unit !< |
---|
798 | CHARACTER (LEN=*) :: var !< |
---|
799 | |
---|
800 | INTEGER(iwp) :: i, lsp |
---|
801 | INTEGER(iwp) :: ilen |
---|
802 | INTEGER(iwp) :: k |
---|
803 | |
---|
804 | CHARACTER(len=16) :: spec_name |
---|
805 | |
---|
806 | unit = 'illegal' |
---|
807 | |
---|
808 | spec_name = TRIM(var(4:)) !< var 1:3 is 'kc_'. |
---|
809 | |
---|
810 | DO lsp=1,nspec |
---|
811 | IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN |
---|
812 | unit = 'ppm' |
---|
813 | ENDIF |
---|
814 | ! It is possible to plant PM10 and PM25 into the gasphase chemistry code |
---|
815 | ! as passive species (e.g. 'passive' in GASPHASE_PREPROC/mechanisms): |
---|
816 | ! set unit to micrograms per m**3 for PM10 and PM25 (PM2.5) |
---|
817 | IF (spec_name(1:2) == 'PM') THEN |
---|
818 | unit = 'kg m-3' |
---|
819 | ENDIF |
---|
820 | ENDDO |
---|
821 | |
---|
822 | DO lsp=1,nphot |
---|
823 | IF (TRIM(spec_name) == TRIM(phot_frequen(lsp)%name)) THEN |
---|
824 | unit = 'sec-1' |
---|
825 | ENDIF |
---|
826 | ENDDO |
---|
827 | |
---|
828 | |
---|
829 | RETURN |
---|
830 | END SUBROUTINE chem_check_data_output |
---|
831 | ! |
---|
832 | !------------------------------------------------------------------------------! |
---|
833 | ! |
---|
834 | ! Description: |
---|
835 | ! ------------ |
---|
836 | !> Subroutine for checking data output of profiles for chemistry model |
---|
837 | !------------------------------------------------------------------------------! |
---|
838 | |
---|
839 | SUBROUTINE chem_check_data_output_pr( variable, var_count, unit, dopr_unit ) |
---|
840 | |
---|
841 | USE arrays_3d |
---|
842 | USE control_parameters, & |
---|
843 | ONLY: data_output_pr, message_string, air_chemistry |
---|
844 | USE indices |
---|
845 | USE profil_parameter |
---|
846 | USE statistics |
---|
847 | |
---|
848 | |
---|
849 | IMPLICIT NONE |
---|
850 | |
---|
851 | CHARACTER (LEN=*) :: unit !< |
---|
852 | CHARACTER (LEN=*) :: variable !< |
---|
853 | CHARACTER (LEN=*) :: dopr_unit |
---|
854 | CHARACTER(len=16) :: spec_name |
---|
855 | |
---|
856 | INTEGER(iwp) :: var_count, lsp !< |
---|
857 | |
---|
858 | |
---|
859 | spec_name = TRIM(variable(4:)) |
---|
860 | |
---|
861 | IF ( .NOT. air_chemistry ) THEN |
---|
862 | message_string = 'data_output_pr = ' // & |
---|
863 | TRIM( data_output_pr(var_count) ) // ' is not imp' // & |
---|
864 | 'lemented for air_chemistry = .FALSE.' |
---|
865 | CALL message( 'chem_check_parameters', 'CM0433', 1, 2, 0, 6, 0 ) |
---|
866 | |
---|
867 | ELSE |
---|
868 | DO lsp = 1, nspec |
---|
869 | IF (TRIM( spec_name ) == TRIM( chem_species(lsp)%name ) ) THEN |
---|
870 | cs_pr_count = cs_pr_count+1 |
---|
871 | cs_pr_index(cs_pr_count) = lsp |
---|
872 | dopr_index(var_count) = pr_palm+cs_pr_count |
---|
873 | dopr_unit = 'ppm' |
---|
874 | IF (spec_name(1:2) == 'PM') THEN |
---|
875 | dopr_unit = 'kg m-3' |
---|
876 | ENDIF |
---|
877 | hom(:,2, dopr_index(var_count),:) = SPREAD( zu, 2, statistic_regions+1 ) |
---|
878 | unit = dopr_unit |
---|
879 | ENDIF |
---|
880 | ENDDO |
---|
881 | ENDIF |
---|
882 | |
---|
883 | END SUBROUTINE chem_check_data_output_pr |
---|
884 | |
---|
885 | ! |
---|
886 | !------------------------------------------------------------------------------! |
---|
887 | ! Description: |
---|
888 | ! ------------ |
---|
889 | !> Check parameters routine for chemistry_model_mod |
---|
890 | !------------------------------------------------------------------------------! |
---|
891 | SUBROUTINE chem_check_parameters |
---|
892 | |
---|
893 | IMPLICIT NONE |
---|
894 | |
---|
895 | LOGICAL :: found |
---|
896 | INTEGER (iwp) :: lsp_usr !< running index for user defined chem spcs |
---|
897 | INTEGER (iwp) :: lsp !< running index for chem spcs. |
---|
898 | |
---|
899 | |
---|
900 | !!-- check for chemical reactions status |
---|
901 | IF ( chem_gasphase_on ) THEN |
---|
902 | message_string = 'Chemical reactions: ON' |
---|
903 | CALL message( 'chem_check_parameters', 'CM0421', 0, 0, 0, 6, 0 ) |
---|
904 | ELSEIF ( .not. (chem_gasphase_on) ) THEN |
---|
905 | message_string = 'Chemical reactions: OFF' |
---|
906 | CALL message( 'chem_check_parameters', 'CM0422', 0, 0, 0, 6, 0 ) |
---|
907 | ENDIF |
---|
908 | |
---|
909 | !-- check for chemistry time-step |
---|
910 | IF ( call_chem_at_all_substeps ) THEN |
---|
911 | message_string = 'Chemistry is calculated at all meteorology time-step' |
---|
912 | CALL message( 'chem_check_parameters', 'CM0423', 0, 0, 0, 6, 0 ) |
---|
913 | ELSEIF ( .not. (call_chem_at_all_substeps) ) THEN |
---|
914 | message_string = 'Sub-time-steps are skipped for chemistry time-steps' |
---|
915 | CALL message( 'chem_check_parameters', 'CM0424', 0, 0, 0, 6, 0 ) |
---|
916 | ENDIF |
---|
917 | |
---|
918 | !-- check for photolysis scheme |
---|
919 | IF ( (photolysis_scheme /= 'simple') .AND. (photolysis_scheme /= 'constant') ) THEN |
---|
920 | message_string = 'Incorrect photolysis scheme selected, please check spelling' |
---|
921 | CALL message( 'chem_check_parameters', 'CM0425', 1, 2, 0, 6, 0 ) |
---|
922 | ENDIF |
---|
923 | |
---|
924 | !-- check for decycling of chem species |
---|
925 | IF ( (.not. any(decycle_method == 'neumann') ) .AND. (.not. any(decycle_method == 'dirichlet') ) ) THEN |
---|
926 | message_string = 'Incorrect boundary conditions. Only neumann or ' & |
---|
927 | // 'dirichlet &available for decycling chemical species ' |
---|
928 | CALL message( 'chem_check_parameters', 'CM0426', 1, 2, 0, 6, 0 ) |
---|
929 | ENDIF |
---|
930 | |
---|
931 | !-- check for initial chem species input |
---|
932 | lsp_usr = 1 |
---|
933 | lsp = 1 |
---|
934 | DO WHILE ( cs_name (lsp_usr) /= 'novalue') |
---|
935 | found = .FALSE. |
---|
936 | DO lsp = 1, nvar |
---|
937 | IF ( TRIM(cs_name (lsp_usr)) == TRIM(chem_species(lsp)%name) ) THEN |
---|
938 | found = .TRUE. |
---|
939 | EXIT |
---|
940 | ENDIF |
---|
941 | ENDDO |
---|
942 | IF ( .not. found ) THEN |
---|
943 | message_string = 'Incorrect input for initial surface vaue: ' // TRIM(cs_name(lsp_usr)) |
---|
944 | CALL message( 'chem_check_parameters', 'CM0427', 0, 1, 0, 6, 0 ) |
---|
945 | ENDIF |
---|
946 | lsp_usr = lsp_usr + 1 |
---|
947 | ENDDO |
---|
948 | |
---|
949 | !-- check for surface emission flux chem species |
---|
950 | |
---|
951 | lsp_usr = 1 |
---|
952 | lsp = 1 |
---|
953 | DO WHILE ( surface_csflux_name (lsp_usr) /= 'novalue') |
---|
954 | found = .FALSE. |
---|
955 | DO lsp = 1, nvar |
---|
956 | IF ( TRIM(surface_csflux_name (lsp_usr)) == TRIM(chem_species(lsp)%name) ) THEN |
---|
957 | found = .TRUE. |
---|
958 | EXIT |
---|
959 | ENDIF |
---|
960 | ENDDO |
---|
961 | IF ( .not. found ) THEN |
---|
962 | message_string = 'Incorrect input of chemical species for surface emission fluxes: ' & |
---|
963 | // TRIM(surface_csflux_name(lsp_usr)) |
---|
964 | CALL message( 'chem_check_parameters', 'CM0428', 0, 1, 0, 6, 0 ) |
---|
965 | ENDIF |
---|
966 | lsp_usr = lsp_usr + 1 |
---|
967 | ENDDO |
---|
968 | |
---|
969 | END SUBROUTINE chem_check_parameters |
---|
970 | |
---|
971 | ! |
---|
972 | !------------------------------------------------------------------------------! |
---|
973 | ! |
---|
974 | ! Description: |
---|
975 | ! ------------ |
---|
976 | !> Subroutine defining 2D output variables for chemical species |
---|
977 | !> @todo: Remove "mode" from argument list, not used. |
---|
978 | !------------------------------------------------------------------------------! |
---|
979 | |
---|
980 | SUBROUTINE chem_data_output_2d( av, variable, found, grid, mode, local_pf, & |
---|
981 | two_d, nzb_do, nzt_do, fill_value ) |
---|
982 | |
---|
983 | USE indices |
---|
984 | |
---|
985 | USE kinds |
---|
986 | |
---|
987 | USE pegrid, ONLY: myid, threads_per_task |
---|
988 | |
---|
989 | IMPLICIT NONE |
---|
990 | |
---|
991 | CHARACTER (LEN=*) :: grid !< |
---|
992 | CHARACTER (LEN=*) :: mode !< |
---|
993 | CHARACTER (LEN=*) :: variable !< |
---|
994 | INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data |
---|
995 | INTEGER(iwp) :: nzb_do !< lower limit of the domain (usually nzb) |
---|
996 | INTEGER(iwp) :: nzt_do !< upper limit of the domain (usually nzt+1) |
---|
997 | LOGICAL :: found !< |
---|
998 | LOGICAL :: two_d !< flag parameter that indicates 2D variables (horizontal cross sections) |
---|
999 | REAL(wp) :: fill_value |
---|
1000 | REAL(wp), DIMENSION(nxl:nxr,nys:nyn,nzb:nzt+1) :: local_pf !< |
---|
1001 | |
---|
1002 | !-- local variables. |
---|
1003 | CHARACTER(len=16) :: spec_name |
---|
1004 | INTEGER(iwp) :: lsp |
---|
1005 | INTEGER(iwp) :: i !< grid index along x-direction |
---|
1006 | INTEGER(iwp) :: j !< grid index along y-direction |
---|
1007 | INTEGER(iwp) :: k !< grid index along z-direction |
---|
1008 | INTEGER(iwp) :: m !< running index surface elements |
---|
1009 | INTEGER(iwp) :: char_len !< length of a character string |
---|
1010 | found = .TRUE. |
---|
1011 | char_len = LEN_TRIM(variable) |
---|
1012 | |
---|
1013 | spec_name = TRIM( variable(4:char_len-3) ) |
---|
1014 | |
---|
1015 | DO lsp=1,nspec |
---|
1016 | IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name) .AND. & |
---|
1017 | ( (variable(char_len-2:) == '_xy') .OR. & |
---|
1018 | (variable(char_len-2:) == '_xz') .OR. & |
---|
1019 | (variable(char_len-2:) == '_yz') ) ) THEN |
---|
1020 | |
---|
1021 | IF(myid == 0) WRITE(6,*) 'Output of species ' // TRIM(variable) // & |
---|
1022 | TRIM(chem_species(lsp)%name) |
---|
1023 | IF (av == 0) THEN |
---|
1024 | DO i = nxl, nxr |
---|
1025 | DO j = nys, nyn |
---|
1026 | DO k = nzb_do, nzt_do |
---|
1027 | local_pf(i,j,k) = MERGE( & |
---|
1028 | chem_species(lsp)%conc(k,j,i), & |
---|
1029 | REAL( fill_value, KIND = wp ), & |
---|
1030 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
1031 | |
---|
1032 | |
---|
1033 | ENDDO |
---|
1034 | ENDDO |
---|
1035 | ENDDO |
---|
1036 | |
---|
1037 | ELSE |
---|
1038 | DO i = nxl, nxr |
---|
1039 | DO j = nys, nyn |
---|
1040 | DO k = nzb_do, nzt_do |
---|
1041 | local_pf(i,j,k) = MERGE( & |
---|
1042 | chem_species(lsp)%conc(k,j,i), & |
---|
1043 | REAL( fill_value, KIND = wp ), & |
---|
1044 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
1045 | ENDDO |
---|
1046 | ENDDO |
---|
1047 | ENDDO |
---|
1048 | ENDIF |
---|
1049 | grid = 'zu' |
---|
1050 | ENDIF |
---|
1051 | ENDDO |
---|
1052 | |
---|
1053 | RETURN |
---|
1054 | |
---|
1055 | END SUBROUTINE chem_data_output_2d |
---|
1056 | |
---|
1057 | ! |
---|
1058 | !------------------------------------------------------------------------------! |
---|
1059 | ! |
---|
1060 | ! Description: |
---|
1061 | ! ------------ |
---|
1062 | !> Subroutine defining 3D output variables for chemical species |
---|
1063 | !------------------------------------------------------------------------------! |
---|
1064 | |
---|
1065 | SUBROUTINE chem_data_output_3d( av, variable, found, local_pf, fill_value, nzb_do, nzt_do ) |
---|
1066 | |
---|
1067 | |
---|
1068 | USE indices |
---|
1069 | |
---|
1070 | USE kinds |
---|
1071 | |
---|
1072 | |
---|
1073 | IMPLICIT NONE |
---|
1074 | |
---|
1075 | CHARACTER (LEN=*) :: variable !< |
---|
1076 | INTEGER(iwp) :: av !< |
---|
1077 | INTEGER(iwp) :: nzb_do !< lower limit of the data output (usually 0) |
---|
1078 | INTEGER(iwp) :: nzt_do !< vertical upper limit of the data output (usually nz_do3d) |
---|
1079 | |
---|
1080 | LOGICAL :: found !< |
---|
1081 | |
---|
1082 | REAL(wp) :: fill_value !< |
---|
1083 | REAL(sp), DIMENSION(nxl:nxr,nys:nyn,nzb_do:nzt_do) :: local_pf |
---|
1084 | |
---|
1085 | |
---|
1086 | !-- local variables |
---|
1087 | |
---|
1088 | INTEGER :: i, j, k, lsp |
---|
1089 | CHARACTER(len=16) :: spec_name |
---|
1090 | |
---|
1091 | |
---|
1092 | found = .FALSE. |
---|
1093 | |
---|
1094 | spec_name = TRIM(variable(4:)) |
---|
1095 | |
---|
1096 | DO lsp=1,nspec |
---|
1097 | IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name)) THEN |
---|
1098 | IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM(variable) // & |
---|
1099 | TRIM(chem_species(lsp)%name) |
---|
1100 | |
---|
1101 | IF (av == 0) THEN |
---|
1102 | DO i = nxl, nxr |
---|
1103 | DO j = nys, nyn |
---|
1104 | DO k = nzb_do, nzt_do |
---|
1105 | local_pf(i,j,k) = MERGE( & |
---|
1106 | chem_species(lsp)%conc(k,j,i), & |
---|
1107 | REAL( fill_value, KIND = wp ), & |
---|
1108 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
1109 | ENDDO |
---|
1110 | ENDDO |
---|
1111 | ENDDO |
---|
1112 | |
---|
1113 | ELSE |
---|
1114 | DO i = nxl, nxr |
---|
1115 | DO j = nys, nyn |
---|
1116 | DO k = nzb_do, nzt_do |
---|
1117 | local_pf(i,j,k) = MERGE( & |
---|
1118 | chem_species(lsp)%conc_av(k,j,i),& |
---|
1119 | REAL( fill_value, KIND = wp ), & |
---|
1120 | BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
1121 | ENDDO |
---|
1122 | ENDDO |
---|
1123 | ENDDO |
---|
1124 | ENDIF |
---|
1125 | |
---|
1126 | found = .TRUE. |
---|
1127 | ENDIF |
---|
1128 | ENDDO |
---|
1129 | |
---|
1130 | RETURN |
---|
1131 | END SUBROUTINE chem_data_output_3d |
---|
1132 | ! |
---|
1133 | !------------------------------------------------------------------------------! |
---|
1134 | ! |
---|
1135 | ! Description: |
---|
1136 | ! ------------ |
---|
1137 | !> Subroutine defining mask output variables for chemical species |
---|
1138 | !------------------------------------------------------------------------------! |
---|
1139 | |
---|
1140 | SUBROUTINE chem_data_output_mask( av, variable, found, local_pf ) |
---|
1141 | |
---|
1142 | USE control_parameters |
---|
1143 | USE indices |
---|
1144 | USE kinds |
---|
1145 | USE pegrid, ONLY: myid, threads_per_task |
---|
1146 | |
---|
1147 | |
---|
1148 | IMPLICIT NONE |
---|
1149 | |
---|
1150 | CHARACTER (LEN=*):: variable !< |
---|
1151 | INTEGER(iwp) :: av !< flag to control data output of instantaneous or time-averaged data |
---|
1152 | LOGICAL :: found !< |
---|
1153 | REAL(wp), DIMENSION(mask_size_l(mid,1),mask_size_l(mid,2),mask_size_l(mid,3)) :: & |
---|
1154 | local_pf !< |
---|
1155 | |
---|
1156 | |
---|
1157 | !-- local variables. |
---|
1158 | CHARACTER(len=16) :: spec_name |
---|
1159 | INTEGER(iwp) :: lsp |
---|
1160 | INTEGER(iwp) :: i !< grid index along x-direction |
---|
1161 | INTEGER(iwp) :: j !< grid index along y-direction |
---|
1162 | INTEGER(iwp) :: k !< grid index along z-direction |
---|
1163 | found = .TRUE. |
---|
1164 | |
---|
1165 | spec_name = TRIM( variable(4:) ) |
---|
1166 | !av == 0 |
---|
1167 | |
---|
1168 | DO lsp=1,nspec |
---|
1169 | IF (TRIM(spec_name) == TRIM(chem_species(lsp)%name) ) THEN |
---|
1170 | |
---|
1171 | IF(myid == 0 .AND. chem_debug0 ) WRITE(6,*) 'Output of species ' // TRIM(variable) // & |
---|
1172 | TRIM(chem_species(lsp)%name) |
---|
1173 | IF (av == 0) THEN |
---|
1174 | DO i = 1, mask_size_l(mid,1) |
---|
1175 | DO j = 1, mask_size_l(mid,2) |
---|
1176 | DO k = 1, mask_size(mid,3) |
---|
1177 | local_pf(i,j,k) = chem_species(lsp)%conc(mask_k(mid,k), & |
---|
1178 | mask_j(mid,j), mask_i(mid,i)) |
---|
1179 | ENDDO |
---|
1180 | ENDDO |
---|
1181 | ENDDO |
---|
1182 | |
---|
1183 | ELSE |
---|
1184 | DO i = 1, mask_size_l(mid,1) |
---|
1185 | DO j = 1, mask_size_l(mid,2) |
---|
1186 | DO k = 1, mask_size_l(mid,3) |
---|
1187 | local_pf(i,j,k) = chem_species(lsp)%conc_av(mask_k(mid,k), & |
---|
1188 | mask_j(mid,j), mask_i(mid,i)) |
---|
1189 | ENDDO |
---|
1190 | ENDDO |
---|
1191 | ENDDO |
---|
1192 | ENDIF |
---|
1193 | found = .FALSE. |
---|
1194 | ENDIF |
---|
1195 | ENDDO |
---|
1196 | |
---|
1197 | RETURN |
---|
1198 | |
---|
1199 | END SUBROUTINE chem_data_output_mask |
---|
1200 | |
---|
1201 | ! |
---|
1202 | !------------------------------------------------------------------------------! |
---|
1203 | ! |
---|
1204 | ! Description: |
---|
1205 | ! ------------ |
---|
1206 | !> Subroutine defining appropriate grid for netcdf variables. |
---|
1207 | !> It is called out from subroutine netcdf. |
---|
1208 | !------------------------------------------------------------------------------! |
---|
1209 | SUBROUTINE chem_define_netcdf_grid( var, found, grid_x, grid_y, grid_z ) |
---|
1210 | |
---|
1211 | IMPLICIT NONE |
---|
1212 | |
---|
1213 | CHARACTER (LEN=*), INTENT(IN) :: var !< |
---|
1214 | LOGICAL, INTENT(OUT) :: found !< |
---|
1215 | CHARACTER (LEN=*), INTENT(OUT) :: grid_x !< |
---|
1216 | CHARACTER (LEN=*), INTENT(OUT) :: grid_y !< |
---|
1217 | CHARACTER (LEN=*), INTENT(OUT) :: grid_z !< |
---|
1218 | |
---|
1219 | found = .TRUE. |
---|
1220 | |
---|
1221 | IF (var(1:3) == 'kc_') THEN !< always the same grid for chemistry variables |
---|
1222 | grid_x = 'x' |
---|
1223 | grid_y = 'y' |
---|
1224 | grid_z = 'zu' |
---|
1225 | ELSE |
---|
1226 | found = .FALSE. |
---|
1227 | grid_x = 'none' |
---|
1228 | grid_y = 'none' |
---|
1229 | grid_z = 'none' |
---|
1230 | ENDIF |
---|
1231 | |
---|
1232 | |
---|
1233 | END SUBROUTINE chem_define_netcdf_grid |
---|
1234 | ! |
---|
1235 | !------------------------------------------------------------------------------! |
---|
1236 | ! |
---|
1237 | ! Description: |
---|
1238 | ! ------------ |
---|
1239 | !> Subroutine defining header output for chemistry model |
---|
1240 | !------------------------------------------------------------------------------! |
---|
1241 | SUBROUTINE chem_header ( io ) |
---|
1242 | |
---|
1243 | IMPLICIT NONE |
---|
1244 | |
---|
1245 | INTEGER(iwp), INTENT(IN) :: io !< Unit of the output file |
---|
1246 | INTEGER(iwp) :: lsp !< running index for chem spcs |
---|
1247 | INTEGER(iwp) :: cs_fixed |
---|
1248 | CHARACTER (LEN=80) :: docsflux_chr |
---|
1249 | CHARACTER (LEN=80) :: docsinit_chr |
---|
1250 | |
---|
1251 | ! |
---|
1252 | !-- Write chemistry model header |
---|
1253 | WRITE( io, 1 ) |
---|
1254 | |
---|
1255 | !-- Gasphase reaction status |
---|
1256 | IF ( chem_gasphase_on ) THEN |
---|
1257 | WRITE( io, 2 ) |
---|
1258 | ELSE |
---|
1259 | WRITE( io, 3 ) |
---|
1260 | ENDIF |
---|
1261 | |
---|
1262 | ! Chemistry time-step |
---|
1263 | WRITE ( io, 4 ) cs_time_step |
---|
1264 | |
---|
1265 | !-- Emission mode info |
---|
1266 | IF ( mode_emis == "DEFAULT" ) THEN |
---|
1267 | WRITE( io, 5 ) |
---|
1268 | ELSEIF ( mode_emis == "PARAMETERIZED" ) THEN |
---|
1269 | WRITE( io, 6 ) |
---|
1270 | ELSEIF ( mode_emis == "PRE-PROCESSED" ) THEN |
---|
1271 | WRITE( io, 7 ) |
---|
1272 | ENDIF |
---|
1273 | |
---|
1274 | !-- Photolysis scheme info |
---|
1275 | IF ( photolysis_scheme == "simple" ) THEN |
---|
1276 | WRITE( io, 8 ) |
---|
1277 | ELSEIF (photolysis_scheme == "conastant" ) THEN |
---|
1278 | WRITE( io, 9 ) |
---|
1279 | ENDIF |
---|
1280 | |
---|
1281 | !-- Emission flux info |
---|
1282 | lsp = 1 |
---|
1283 | docsflux_chr ='Chemical species for surface emission flux: ' |
---|
1284 | DO WHILE ( surface_csflux_name(lsp) /= 'novalue' ) |
---|
1285 | docsflux_chr = TRIM( docsflux_chr ) // ' ' // TRIM( surface_csflux_name(lsp) ) // ',' |
---|
1286 | IF ( LEN_TRIM( docsflux_chr ) >= 75 ) THEN |
---|
1287 | WRITE ( io, 10 ) docsflux_chr |
---|
1288 | docsflux_chr = ' ' |
---|
1289 | ENDIF |
---|
1290 | lsp = lsp + 1 |
---|
1291 | ENDDO |
---|
1292 | |
---|
1293 | IF ( docsflux_chr /= '' ) THEN |
---|
1294 | WRITE ( io, 10 ) docsflux_chr |
---|
1295 | ENDIF |
---|
1296 | |
---|
1297 | |
---|
1298 | !-- initializatoin of Surface and profile chemical species |
---|
1299 | |
---|
1300 | lsp = 1 |
---|
1301 | docsinit_chr ='Chemical species for initial surface and profile emissions: ' |
---|
1302 | DO WHILE ( cs_name(lsp) /= 'novalue' ) |
---|
1303 | docsinit_chr = TRIM( docsinit_chr ) // ' ' // TRIM( cs_name(lsp) ) // ',' |
---|
1304 | IF ( LEN_TRIM( docsinit_chr ) >= 75 ) THEN |
---|
1305 | WRITE ( io, 11 ) docsinit_chr |
---|
1306 | docsinit_chr = ' ' |
---|
1307 | ENDIF |
---|
1308 | lsp = lsp + 1 |
---|
1309 | ENDDO |
---|
1310 | |
---|
1311 | IF ( docsinit_chr /= '' ) THEN |
---|
1312 | WRITE ( io, 11 ) docsinit_chr |
---|
1313 | ENDIF |
---|
1314 | |
---|
1315 | !-- number of variable and fix chemical species and number of reactions |
---|
1316 | cs_fixed = nspec - nvar |
---|
1317 | WRITE ( io, * ) ' --> Chemical species, variable: ', nvar |
---|
1318 | WRITE ( io, * ) ' --> Chemical species, fixed : ', cs_fixed |
---|
1319 | WRITE ( io, * ) ' --> Total number of reactions : ', nreact |
---|
1320 | |
---|
1321 | |
---|
1322 | 1 FORMAT (//' Chemistry model information:'/ & |
---|
1323 | ' ----------------------------'/) |
---|
1324 | 2 FORMAT (' --> Chemical reactions are turned on') |
---|
1325 | 3 FORMAT (' --> Chemical reactions are turned off') |
---|
1326 | 4 FORMAT (' --> Time-step for chemical species: ',F6.2, ' s') |
---|
1327 | 5 FORMAT (' --> Emission mode = DEFAULT ') |
---|
1328 | 6 FORMAT (' --> Emission mode = PARAMETERIZED ') |
---|
1329 | 7 FORMAT (' --> Emission mode = PRE-PROCESSED ') |
---|
1330 | 8 FORMAT (' --> Photolysis scheme used = simple ') |
---|
1331 | 9 FORMAT (' --> Photolysis scheme used = constant ') |
---|
1332 | 10 FORMAT (/' ',A) |
---|
1333 | 11 FORMAT (/' ',A) |
---|
1334 | ! |
---|
1335 | ! |
---|
1336 | END SUBROUTINE chem_header |
---|
1337 | |
---|
1338 | ! |
---|
1339 | !------------------------------------------------------------------------------! |
---|
1340 | ! |
---|
1341 | ! Description: |
---|
1342 | ! ------------ |
---|
1343 | !> Subroutine initializating chemistry_model_mod |
---|
1344 | !------------------------------------------------------------------------------! |
---|
1345 | SUBROUTINE chem_init |
---|
1346 | |
---|
1347 | USE control_parameters, & |
---|
1348 | ONLY: message_string, io_blocks, io_group, turbulent_inflow |
---|
1349 | USE arrays_3d, & |
---|
1350 | ONLY: mean_inflow_profiles |
---|
1351 | USE pegrid |
---|
1352 | |
---|
1353 | IMPLICIT none |
---|
1354 | !-- local variables |
---|
1355 | INTEGER :: i,j !< running index for for horiz numerical grid points |
---|
1356 | INTEGER :: lsp !< running index for chem spcs |
---|
1357 | INTEGER :: lpr_lev !< running index for chem spcs profile level |
---|
1358 | ! |
---|
1359 | !-- NOPOINTER version not implemented yet |
---|
1360 | ! #if defined( __nopointer ) |
---|
1361 | ! message_string = 'The chemistry module only runs with POINTER version' |
---|
1362 | ! CALL message( 'chemistry_model_mod', 'CM0001', 1, 2, 0, 6, 0 ) |
---|
1363 | ! #endif |
---|
1364 | ! |
---|
1365 | !-- Allocate memory for chemical species |
---|
1366 | ALLOCATE( chem_species(nspec) ) |
---|
1367 | ALLOCATE( spec_conc_1 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) ) |
---|
1368 | ALLOCATE( spec_conc_2 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) ) |
---|
1369 | ALLOCATE( spec_conc_3 (nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) ) |
---|
1370 | ALLOCATE( spec_conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nspec) ) |
---|
1371 | ALLOCATE( phot_frequen(nphot) ) |
---|
1372 | ALLOCATE( freq_1(nzb:nzt+1,nysg:nyng,nxlg:nxrg,nphot) ) |
---|
1373 | ALLOCATE( bc_cs_t_val(nspec) ) |
---|
1374 | ! |
---|
1375 | !-- Initialize arrays |
---|
1376 | spec_conc_1 (:,:,:,:) = 0.0_wp |
---|
1377 | spec_conc_2 (:,:,:,:) = 0.0_wp |
---|
1378 | spec_conc_3 (:,:,:,:) = 0.0_wp |
---|
1379 | spec_conc_av(:,:,:,:) = 0.0_wp |
---|
1380 | |
---|
1381 | |
---|
1382 | DO lsp = 1, nspec |
---|
1383 | chem_species(lsp)%name = spc_names(lsp) |
---|
1384 | |
---|
1385 | chem_species(lsp)%conc (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1 (:,:,:,lsp) |
---|
1386 | chem_species(lsp)%conc_p (nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2 (:,:,:,lsp) |
---|
1387 | chem_species(lsp)%tconc_m(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_3 (:,:,:,lsp) |
---|
1388 | chem_species(lsp)%conc_av(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_av(:,:,:,lsp) |
---|
1389 | |
---|
1390 | ALLOCATE (chem_species(lsp)%cssws_av(nysg:nyng,nxlg:nxrg)) |
---|
1391 | chem_species(lsp)%cssws_av = 0.0_wp |
---|
1392 | ! |
---|
1393 | !-- The following block can be useful when emission module is not applied. & |
---|
1394 | !-- if emission module is applied the following block will be overwritten. |
---|
1395 | ALLOCATE (chem_species(lsp)%flux_s_cs(nzb+1:nzt,0:threads_per_task-1)) |
---|
1396 | ALLOCATE (chem_species(lsp)%diss_s_cs(nzb+1:nzt,0:threads_per_task-1)) |
---|
1397 | ALLOCATE (chem_species(lsp)%flux_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1)) |
---|
1398 | ALLOCATE (chem_species(lsp)%diss_l_cs(nzb+1:nzt,nys:nyn,0:threads_per_task-1)) |
---|
1399 | chem_species(lsp)%flux_s_cs = 0.0_wp |
---|
1400 | chem_species(lsp)%flux_l_cs = 0.0_wp |
---|
1401 | chem_species(lsp)%diss_s_cs = 0.0_wp |
---|
1402 | chem_species(lsp)%diss_l_cs = 0.0_wp |
---|
1403 | ! |
---|
1404 | !-- Allocate memory for initial concentration profiles |
---|
1405 | !-- (concentration values come from namelist) |
---|
1406 | !-- (@todo (FK): Because of this, chem_init is called in palm before |
---|
1407 | !-- check_parameters, since conc_pr_init is used there. |
---|
1408 | !-- We have to find another solution since chem_init should |
---|
1409 | !-- eventually be called from init_3d_model!!) |
---|
1410 | ALLOCATE ( chem_species(lsp)%conc_pr_init(0:nz+1) ) |
---|
1411 | chem_species(lsp)%conc_pr_init(:) = 0.0_wp |
---|
1412 | |
---|
1413 | ENDDO |
---|
1414 | |
---|
1415 | ! |
---|
1416 | !-- Initial concentration of profiles is prescribed by parameters cs_profile |
---|
1417 | !-- and cs_heights in the namelist &chemistry_parameters |
---|
1418 | CALL chem_init_profiles |
---|
1419 | |
---|
1420 | |
---|
1421 | ! |
---|
1422 | !-- Initialize model variables |
---|
1423 | |
---|
1424 | |
---|
1425 | IF ( TRIM( initializing_actions ) /= 'read_restart_data' .AND. & |
---|
1426 | TRIM( initializing_actions ) /= 'cyclic_fill' ) THEN |
---|
1427 | |
---|
1428 | |
---|
1429 | !-- First model run of a possible job queue. |
---|
1430 | !-- Initial profiles of the variables must be computed. |
---|
1431 | IF ( INDEX( initializing_actions, 'set_1d-model_profiles' ) /= 0 ) THEN |
---|
1432 | CALL location_message( 'initializing with 1D chemistry model profiles', .FALSE. ) |
---|
1433 | ! |
---|
1434 | !-- Transfer initial profiles to the arrays of the 3D model |
---|
1435 | DO lsp = 1, nspec |
---|
1436 | DO i = nxlg, nxrg |
---|
1437 | DO j = nysg, nyng |
---|
1438 | DO lpr_lev = 1, nz + 1 |
---|
1439 | chem_species(lsp)%conc(lpr_lev,j,i) = chem_species(lsp)%conc_pr_init(lpr_lev) |
---|
1440 | ENDDO |
---|
1441 | ENDDO |
---|
1442 | ENDDO |
---|
1443 | ENDDO |
---|
1444 | |
---|
1445 | ELSEIF ( INDEX(initializing_actions, 'set_constant_profiles') /= 0 ) & |
---|
1446 | THEN |
---|
1447 | CALL location_message( 'initializing with constant chemistry profiles', .FALSE. ) |
---|
1448 | |
---|
1449 | DO lsp = 1, nspec |
---|
1450 | DO i = nxlg, nxrg |
---|
1451 | DO j = nysg, nyng |
---|
1452 | chem_species(lsp)%conc(:,j,i) = chem_species(lsp)%conc_pr_init |
---|
1453 | ENDDO |
---|
1454 | ENDDO |
---|
1455 | ENDDO |
---|
1456 | |
---|
1457 | ENDIF |
---|
1458 | |
---|
1459 | ! |
---|
1460 | !-- If required, change the surface chem spcs at the start of the 3D run |
---|
1461 | IF ( cs_surface_initial_change(1) /= 0.0_wp ) THEN |
---|
1462 | DO lsp = 1, nspec |
---|
1463 | chem_species(lsp)%conc(nzb,:,:) = chem_species(lsp)%conc(nzb,:,:) + & |
---|
1464 | cs_surface_initial_change(lsp) |
---|
1465 | ENDDO |
---|
1466 | ENDIF |
---|
1467 | ! |
---|
1468 | !-- Initiale old and new time levels. |
---|
1469 | DO lsp = 1, nvar |
---|
1470 | chem_species(lsp)%tconc_m = 0.0_wp |
---|
1471 | chem_species(lsp)%conc_p = chem_species(lsp)%conc |
---|
1472 | ENDDO |
---|
1473 | |
---|
1474 | ENDIF |
---|
1475 | |
---|
1476 | |
---|
1477 | |
---|
1478 | !--- new code add above this line |
---|
1479 | DO lsp = 1, nphot |
---|
1480 | phot_frequen(lsp)%name = phot_names(lsp) |
---|
1481 | ! IF( myid == 0 ) THEN |
---|
1482 | ! WRITE(6,'(a,i4,3x,a)') 'Photolysis: ',lsp,trim(phot_names(lsp)) |
---|
1483 | ! ENDIF |
---|
1484 | phot_frequen(lsp)%freq(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => freq_1(:,:,:,lsp) |
---|
1485 | ENDDO |
---|
1486 | |
---|
1487 | RETURN |
---|
1488 | |
---|
1489 | END SUBROUTINE chem_init |
---|
1490 | |
---|
1491 | ! |
---|
1492 | !------------------------------------------------------------------------------! |
---|
1493 | ! |
---|
1494 | ! Description: |
---|
1495 | ! ------------ |
---|
1496 | !> Subroutine defining initial vertical profiles of chemical species (given by |
---|
1497 | !> namelist parameters chem_profiles and chem_heights) --> which should work |
---|
1498 | !> analogue to parameters u_profile, v_profile and uv_heights) |
---|
1499 | !------------------------------------------------------------------------------! |
---|
1500 | SUBROUTINE chem_init_profiles !< SUBROUTINE is called from chem_init in case of |
---|
1501 | !< TRIM( initializing_actions ) /= 'read_restart_data' |
---|
1502 | !< We still need to see what has to be done in case of restart run |
---|
1503 | USE chem_modules |
---|
1504 | |
---|
1505 | IMPLICIT NONE |
---|
1506 | |
---|
1507 | !-- Local variables |
---|
1508 | INTEGER :: lsp !< running index for number of species in derived data type species_def |
---|
1509 | INTEGER :: lsp_usr !< running index for number of species (user defined) in cs_names, cs_profiles etc |
---|
1510 | INTEGER :: lpr_lev !< running index for profile level for each chem spcs. |
---|
1511 | INTEGER :: npr_lev !< the next available profile lev |
---|
1512 | |
---|
1513 | !----------------- |
---|
1514 | !-- Parameter "cs_profile" and "cs_heights" are used to prescribe user defined initial profiles |
---|
1515 | !-- and heights. If parameter "cs_profile" is not prescribed then initial surface values |
---|
1516 | !-- "cs_surface" are used as constant initial profiles for each species. If "cs_profile" and |
---|
1517 | !-- "cs_heights" are prescribed, their values will!override the constant profile given by |
---|
1518 | !-- "cs_surface". |
---|
1519 | ! |
---|
1520 | IF ( TRIM( initializing_actions ) /= 'read_restart_data' ) THEN |
---|
1521 | lsp_usr = 1 |
---|
1522 | DO WHILE ( TRIM( cs_name( lsp_usr ) ) /= 'novalue' ) !'novalue' is the default |
---|
1523 | DO lsp = 1, nspec ! |
---|
1524 | !-- create initial profile (conc_pr_init) for each chemical species |
---|
1525 | IF ( TRIM( chem_species(lsp)%name ) == TRIM( cs_name(lsp_usr) ) ) THEN ! |
---|
1526 | IF ( cs_profile(lsp_usr,1) == 9999999.9_wp ) THEN |
---|
1527 | !-- set a vertically constant profile based on the surface conc (cs_surface(lsp_usr)) of each species |
---|
1528 | DO lpr_lev = 0, nzt+1 |
---|
1529 | chem_species(lsp)%conc_pr_init(lpr_lev) = cs_surface(lsp_usr) |
---|
1530 | ENDDO |
---|
1531 | ELSE |
---|
1532 | IF ( cs_heights(1,1) /= 0.0_wp ) THEN |
---|
1533 | message_string = 'The surface value of cs_heights must be 0.0' |
---|
1534 | CALL message( 'chem_check_parameters', 'CM0434', 1, 2, 0, 6, 0 ) |
---|
1535 | ENDIF |
---|
1536 | |
---|
1537 | use_prescribed_profile_data = .TRUE. |
---|
1538 | |
---|
1539 | npr_lev = 1 |
---|
1540 | ! chem_species(lsp)%conc_pr_init(0) = 0.0_wp |
---|
1541 | DO lpr_lev = 1, nz+1 |
---|
1542 | IF ( npr_lev < 100 ) THEN |
---|
1543 | DO WHILE ( cs_heights(lsp_usr, npr_lev+1) <= zu(lpr_lev) ) |
---|
1544 | npr_lev = npr_lev + 1 |
---|
1545 | IF ( npr_lev == 100 ) THEN |
---|
1546 | message_string = 'number of chem spcs exceeding the limit' |
---|
1547 | CALL message( 'chem_check_parameters', 'CM0435', 1, 2, 0, 6, 0 ) |
---|
1548 | EXIT |
---|
1549 | ENDIF |
---|
1550 | ENDDO |
---|
1551 | ENDIF |
---|
1552 | IF ( npr_lev < 100 .AND. cs_heights(lsp_usr, npr_lev + 1) /= 9999999.9_wp ) THEN |
---|
1553 | chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev) + & |
---|
1554 | ( zu(lpr_lev) - cs_heights(lsp_usr, npr_lev) ) / & |
---|
1555 | ( cs_heights(lsp_usr, (npr_lev + 1)) - cs_heights(lsp_usr, npr_lev ) ) * & |
---|
1556 | ( cs_profile(lsp_usr, (npr_lev + 1)) - cs_profile(lsp_usr, npr_lev ) ) |
---|
1557 | ELSE |
---|
1558 | chem_species(lsp)%conc_pr_init(lpr_lev) = cs_profile(lsp_usr, npr_lev) |
---|
1559 | ENDIF |
---|
1560 | ENDDO |
---|
1561 | ENDIF |
---|
1562 | !-- If a profile is prescribed explicity using cs_profiles and cs_heights, then |
---|
1563 | !-- chem_species(lsp)%conc_pr_init is populated with the specific "lsp" based |
---|
1564 | !-- on the cs_profiles(lsp_usr,:) and cs_heights(lsp_usr,:). |
---|
1565 | ENDIF |
---|
1566 | ENDDO |
---|
1567 | lsp_usr = lsp_usr + 1 |
---|
1568 | ENDDO |
---|
1569 | ENDIF |
---|
1570 | |
---|
1571 | END SUBROUTINE chem_init_profiles |
---|
1572 | ! |
---|
1573 | !------------------------------------------------------------------------------! |
---|
1574 | ! |
---|
1575 | ! Description: |
---|
1576 | ! ------------ |
---|
1577 | !> Subroutine to integrate chemical species in the given chemical mechanism |
---|
1578 | !------------------------------------------------------------------------------! |
---|
1579 | |
---|
1580 | SUBROUTINE chem_integrate_ij (i, j) |
---|
1581 | |
---|
1582 | USE cpulog, & |
---|
1583 | ONLY: cpu_log, log_point |
---|
1584 | USE statistics, & |
---|
1585 | ONLY: weight_pres |
---|
1586 | USE control_parameters, & |
---|
1587 | ONLY: dt_3d, intermediate_timestep_count,simulated_time |
---|
1588 | |
---|
1589 | IMPLICIT none |
---|
1590 | INTEGER,INTENT(IN) :: i,j |
---|
1591 | |
---|
1592 | !-- local variables |
---|
1593 | INTEGER(iwp) :: lsp !< running index for chem spcs. |
---|
1594 | INTEGER(iwp) :: lph !< running index for photolysis frequencies |
---|
1595 | INTEGER :: k,m,istatf |
---|
1596 | INTEGER,DIMENSION(20) :: istatus |
---|
1597 | REAL(kind=wp),DIMENSION(nzb+1:nzt,nspec) :: tmp_conc |
---|
1598 | REAL(kind=wp),DIMENSION(nzb+1:nzt) :: tmp_temp |
---|
1599 | REAL(kind=wp),DIMENSION(nzb+1:nzt) :: tmp_qvap |
---|
1600 | REAL(kind=wp),DIMENSION(nzb+1:nzt,nphot) :: tmp_phot |
---|
1601 | REAL(kind=wp),DIMENSION(nzb+1:nzt) :: tmp_fact |
---|
1602 | REAL(kind=wp),DIMENSION(nzb+1:nzt) :: tmp_fact_i !< conversion factor between |
---|
1603 | !< molecules cm^{-3} and ppm |
---|
1604 | |
---|
1605 | INTEGER,DIMENSION(nzb+1:nzt) :: nacc !< Number of accepted steps |
---|
1606 | INTEGER,DIMENSION(nzb+1:nzt) :: nrej !< Number of rejected steps |
---|
1607 | |
---|
1608 | REAL(wp) :: conv !< conversion factor |
---|
1609 | REAL(wp), PARAMETER :: ppm2fr = 1.0e-6_wp !< Conversion factor ppm to fraction |
---|
1610 | REAL(wp), PARAMETER :: xm_air = 28.96_wp !< Mole mass of dry air |
---|
1611 | REAL(wp), PARAMETER :: xm_h2o = 18.01528_wp !< Mole mass of water vapor |
---|
1612 | REAL(wp), PARAMETER :: pref_i = 1._wp / 100000.0_wp !< inverse reference pressure (1/Pa) |
---|
1613 | REAL(wp), PARAMETER :: t_std = 273.15_wp !< standard pressure (Pa) |
---|
1614 | REAL(wp), PARAMETER :: p_std = 101325.0_wp !< standard pressure (Pa) |
---|
1615 | REAL(wp), PARAMETER :: vmolcm = 22.414e3_wp !< Mole volume (22.414 l) in cm^{-3} |
---|
1616 | REAL(wp), PARAMETER :: xna = 6.022e23_wp !< Avogadro number (molecules/mol) |
---|
1617 | |
---|
1618 | REAL(wp),DIMENSION(size(rcntrl)) :: rcntrl_local |
---|
1619 | |
---|
1620 | |
---|
1621 | REAL(kind=wp) :: dt_chem |
---|
1622 | |
---|
1623 | CALL cpu_log( log_point(80), '[chem_integrate_ij]', 'start' ) |
---|
1624 | !< set chem_gasphase_on to .FALSE. if you want to skip computation of gas phase chemistry |
---|
1625 | IF (chem_gasphase_on) THEN |
---|
1626 | nacc = 0 |
---|
1627 | nrej = 0 |
---|
1628 | |
---|
1629 | tmp_temp(:) = pt(nzb+1:nzt,j,i) * exner(nzb+1:nzt) |
---|
1630 | ! ppm to molecules/cm**3 |
---|
1631 | ! tmp_fact = 1.e-6_wp*6.022e23_wp/(22.414_wp*1000._wp) * 273.15_wp * hyp(nzb+1:nzt)/( 101300.0_wp * tmp_temp ) |
---|
1632 | conv = ppm2fr * xna / vmolcm |
---|
1633 | tmp_fact(:) = conv * t_std * hyp(nzb+1:nzt) / (tmp_temp(:) * p_std) |
---|
1634 | tmp_fact_i = 1.0_wp/tmp_fact |
---|
1635 | |
---|
1636 | IF ( humidity ) THEN |
---|
1637 | IF ( bulk_cloud_model ) THEN |
---|
1638 | tmp_qvap(:) = ( q(nzb+1:nzt,j,i) - ql(nzb+1:nzt,j,i) ) * xm_air/xm_h2o * tmp_fact(:) |
---|
1639 | ELSE |
---|
1640 | tmp_qvap(:) = q(nzb+1:nzt,j,i) * xm_air/xm_h2o * tmp_fact(:) |
---|
1641 | ENDIF |
---|
1642 | ELSE |
---|
1643 | tmp_qvap(:) = 0.01 * tmp_fact(:) !< Constant value for q if water vapor is not computed |
---|
1644 | ENDIF |
---|
1645 | |
---|
1646 | DO lsp = 1,nspec |
---|
1647 | tmp_conc(:,lsp) = chem_species(lsp)%conc(nzb+1:nzt,j,i) * tmp_fact(:) |
---|
1648 | ENDDO |
---|
1649 | |
---|
1650 | DO lph = 1,nphot |
---|
1651 | tmp_phot(:,lph) = phot_frequen(lph)%freq(nzb+1:nzt,j,i) |
---|
1652 | ENDDO |
---|
1653 | |
---|
1654 | IF(myid == 0 .AND. chem_debug0 ) THEN |
---|
1655 | IF (i == 10 .and. j == 10) WRITE(0,*) 'begin chemics step ',dt_3d |
---|
1656 | ENDIF |
---|
1657 | |
---|
1658 | !-- Compute length of time step |
---|
1659 | IF ( call_chem_at_all_substeps ) THEN |
---|
1660 | dt_chem = dt_3d * weight_pres(intermediate_timestep_count) |
---|
1661 | ELSE |
---|
1662 | dt_chem = dt_3d |
---|
1663 | ENDIF |
---|
1664 | |
---|
1665 | cs_time_step = dt_chem |
---|
1666 | |
---|
1667 | CALL cpu_log( log_point(81), '{chem_gasphase_integrate}', 'start' ) |
---|
1668 | |
---|
1669 | IF(maxval(rcntrl) > 0.0) THEN ! Only if rcntrl is set |
---|
1670 | IF( simulated_time <= 2*dt_3d) THEN |
---|
1671 | rcntrl_local = 0 |
---|
1672 | WRITE(9,'(a,2f10.3)') 'USE Default rcntrl in the first steps ',simulated_time,dt_3d |
---|
1673 | ELSE |
---|
1674 | rcntrl_local = rcntrl |
---|
1675 | ENDIF |
---|
1676 | ELSE |
---|
1677 | rcntrl_local = 0 |
---|
1678 | END IF |
---|
1679 | |
---|
1680 | CALL chem_gasphase_integrate (dt_chem, tmp_conc, tmp_temp, tmp_qvap, tmp_fact, tmp_phot, & |
---|
1681 | icntrl_i = icntrl, rcntrl_i = rcntrl_local, xnacc = nacc, xnrej = nrej, istatus=istatus) |
---|
1682 | |
---|
1683 | CALL cpu_log( log_point(81), '{chem_gasphase_integrate}', 'stop' ) |
---|
1684 | |
---|
1685 | DO lsp = 1,nspec |
---|
1686 | chem_species(lsp)%conc (nzb+1:nzt,j,i) = tmp_conc(:,lsp) * tmp_fact_i(:) |
---|
1687 | ENDDO |
---|
1688 | |
---|
1689 | |
---|
1690 | ENDIF |
---|
1691 | CALL cpu_log( log_point(80), '[chem_integrate_ij]', 'stop' ) |
---|
1692 | |
---|
1693 | RETURN |
---|
1694 | END SUBROUTINE chem_integrate_ij |
---|
1695 | ! |
---|
1696 | !------------------------------------------------------------------------------! |
---|
1697 | ! |
---|
1698 | ! Description: |
---|
1699 | ! ------------ |
---|
1700 | !> Subroutine defining parin for &chemistry_parameters for chemistry model |
---|
1701 | !------------------------------------------------------------------------------! |
---|
1702 | SUBROUTINE chem_parin |
---|
1703 | |
---|
1704 | USE chem_modules |
---|
1705 | USE control_parameters |
---|
1706 | |
---|
1707 | USE kinds |
---|
1708 | USE pegrid |
---|
1709 | USE statistics |
---|
1710 | |
---|
1711 | IMPLICIT NONE |
---|
1712 | |
---|
1713 | CHARACTER (LEN=80) :: line !< dummy string that contains the current line of the parameter file |
---|
1714 | CHARACTER (LEN=3) :: cs_prefix |
---|
1715 | |
---|
1716 | REAL(wp), DIMENSION(nmaxfixsteps) :: my_steps !< List of fixed timesteps my_step(1) = 0.0 automatic stepping |
---|
1717 | INTEGER(iwp) :: i !< |
---|
1718 | INTEGER(iwp) :: j !< |
---|
1719 | INTEGER(iwp) :: max_pr_cs_tmp !< |
---|
1720 | |
---|
1721 | |
---|
1722 | NAMELIST /chemistry_parameters/ bc_cs_b, & |
---|
1723 | bc_cs_t, & |
---|
1724 | call_chem_at_all_substeps, & |
---|
1725 | chem_debug0, & |
---|
1726 | chem_debug1, & |
---|
1727 | chem_debug2, & |
---|
1728 | chem_gasphase_on, & |
---|
1729 | cs_heights, & |
---|
1730 | cs_name, & |
---|
1731 | cs_profile, & |
---|
1732 | cs_profile_name, & |
---|
1733 | cs_surface, & |
---|
1734 | decycle_chem_lr, & |
---|
1735 | decycle_chem_ns, & |
---|
1736 | decycle_method, & |
---|
1737 | emiss_factor_main, & |
---|
1738 | emiss_factor_side, & |
---|
1739 | icntrl, & |
---|
1740 | main_street_id, & |
---|
1741 | max_street_id, & |
---|
1742 | my_steps, & |
---|
1743 | nest_chemistry, & |
---|
1744 | rcntrl, & |
---|
1745 | side_street_id, & |
---|
1746 | photolysis_scheme, & |
---|
1747 | wall_csflux, & |
---|
1748 | cs_vertical_gradient, & |
---|
1749 | top_csflux, & |
---|
1750 | surface_csflux, & |
---|
1751 | surface_csflux_name, & |
---|
1752 | cs_surface_initial_change, & |
---|
1753 | cs_vertical_gradient_level, & |
---|
1754 | ! namelist parameters for emissions |
---|
1755 | mode_emis, & |
---|
1756 | time_fac_type, & |
---|
1757 | daytype_mdh, & |
---|
1758 | do_emis |
---|
1759 | |
---|
1760 | !-- analogue to chem_names(nspj) we could invent chem_surfaceflux(nspj) and chem_topflux(nspj) |
---|
1761 | !-- so this way we could prescribe a specific flux value for each species |
---|
1762 | !> chemistry_parameters for initial profiles |
---|
1763 | !> cs_names = 'O3', 'NO2', 'NO', ... to set initial profiles) |
---|
1764 | !> cs_heights(1,:) = 0.0, 100.0, 500.0, 2000.0, .... (height levels where concs will be prescribed for O3) |
---|
1765 | !> cs_heights(2,:) = 0.0, 200.0, 400.0, 1000.0, .... (same for NO2 etc.) |
---|
1766 | !> cs_profiles(1,:) = 10.0, 20.0, 20.0, 30.0, ..... (chem spcs conc at height lvls chem_heights(1,:)) etc. |
---|
1767 | !> If the respective concentration profile should be constant with height, then use "cs_surface( number of spcs)" |
---|
1768 | !> then write these cs_surface values to chem_species(lsp)%conc_pr_init(:) |
---|
1769 | |
---|
1770 | ! |
---|
1771 | !-- Read chem namelist |
---|
1772 | |
---|
1773 | INTEGER :: ier |
---|
1774 | CHARACTER(LEN=64) :: text |
---|
1775 | CHARACTER(LEN=8) :: solver_type |
---|
1776 | |
---|
1777 | icntrl = 0 |
---|
1778 | rcntrl = 0.0_wp |
---|
1779 | my_steps = 0.0_wp |
---|
1780 | photolysis_scheme = 'simple' |
---|
1781 | atol = 1.0_wp |
---|
1782 | rtol = 0.01_wp |
---|
1783 | ! |
---|
1784 | !-- Try to find chemistry package |
---|
1785 | REWIND ( 11 ) |
---|
1786 | line = ' ' |
---|
1787 | DO WHILE ( INDEX( line, '&chemistry_parameters' ) == 0 ) |
---|
1788 | READ ( 11, '(A)', END=20 ) line |
---|
1789 | ENDDO |
---|
1790 | BACKSPACE ( 11 ) |
---|
1791 | ! |
---|
1792 | !-- Read chemistry namelist |
---|
1793 | READ ( 11, chemistry_parameters, ERR = 10, END = 20 ) |
---|
1794 | ! |
---|
1795 | !-- Enable chemistry model |
---|
1796 | air_chemistry = .TRUE. |
---|
1797 | GOTO 20 |
---|
1798 | |
---|
1799 | 10 BACKSPACE( 11 ) |
---|
1800 | READ( 11 , '(A)') line |
---|
1801 | CALL parin_fail_message( 'chemistry_parameters', line ) |
---|
1802 | |
---|
1803 | 20 CONTINUE |
---|
1804 | |
---|
1805 | ! |
---|
1806 | !-- check for emission mode for chem species |
---|
1807 | IF ( (mode_emis /= 'PARAMETERIZED') .AND. ( mode_emis /= 'DEFAULT') .AND. (mode_emis /= 'PRE-PROCESSED' ) ) THEN |
---|
1808 | message_string = 'Incorrect mode_emiss option select. Please check spelling' |
---|
1809 | CALL message( 'chem_check_parameters', 'CM0436', 1, 2, 0, 6, 0 ) |
---|
1810 | ENDIF |
---|
1811 | |
---|
1812 | t_steps = my_steps |
---|
1813 | |
---|
1814 | !-- Determine the number of user-defined profiles and append them to the |
---|
1815 | !-- standard data output (data_output_pr) |
---|
1816 | max_pr_cs_tmp = 0 |
---|
1817 | i = 1 |
---|
1818 | |
---|
1819 | DO WHILE ( data_output_pr(i) /= ' ' .AND. i <= 100 ) |
---|
1820 | IF ( TRIM( data_output_pr(i)(1:3)) == 'kc_' ) THEN |
---|
1821 | max_pr_cs_tmp = max_pr_cs_tmp+1 |
---|
1822 | ENDIF |
---|
1823 | i = i +1 |
---|
1824 | ENDDO |
---|
1825 | |
---|
1826 | IF ( max_pr_cs_tmp > 0 ) THEN |
---|
1827 | cs_pr_namelist_found = .TRUE. |
---|
1828 | max_pr_cs = max_pr_cs_tmp |
---|
1829 | ENDIF |
---|
1830 | |
---|
1831 | ! Set Solver Type |
---|
1832 | IF(icntrl(3) == 0) THEN |
---|
1833 | solver_type = 'rodas3' !Default |
---|
1834 | ELSE IF(icntrl(3) == 1) THEN |
---|
1835 | solver_type = 'ros2' |
---|
1836 | ELSE IF(icntrl(3) == 2) THEN |
---|
1837 | solver_type = 'ros3' |
---|
1838 | ELSE IF(icntrl(3) == 3) THEN |
---|
1839 | solver_type = 'ro4' |
---|
1840 | ELSE IF(icntrl(3) == 4) THEN |
---|
1841 | solver_type = 'rodas3' |
---|
1842 | ELSE IF(icntrl(3) == 5) THEN |
---|
1843 | solver_type = 'rodas4' |
---|
1844 | ELSE IF(icntrl(3) == 6) THEN |
---|
1845 | solver_type = 'Rang3' |
---|
1846 | ELSE |
---|
1847 | IF(myid == 0) write(0,*) 'illegal solver type ' !kk chane to PALM error message |
---|
1848 | call MPI_Abort (MPI_COMM_WORLD, 1, ier) |
---|
1849 | END IF |
---|
1850 | |
---|
1851 | write(text,*) 'gas_phase chemistry: solver_type = ',trim(solver_type) |
---|
1852 | !kk Has to be changed to right calling sequence |
---|
1853 | !kk CALL location_message( trim(text), .FALSE. ) |
---|
1854 | IF(myid == 0) THEN |
---|
1855 | write(9,*) ' ' |
---|
1856 | write(9,*) 'kpp setup ' |
---|
1857 | write(9,*) ' ' |
---|
1858 | write(9,*) ' gas_phase chemistry: solver_type = ',trim(solver_type) |
---|
1859 | write(9,*) ' ' |
---|
1860 | write(9,*) ' Hstart = ',rcntrl(3) |
---|
1861 | write(9,*) ' FacMin = ',rcntrl(4) |
---|
1862 | write(9,*) ' FacMax = ',rcntrl(5) |
---|
1863 | write(9,*) ' ' |
---|
1864 | IF(vl_dim > 1) THEN |
---|
1865 | write(9,*) ' Vector mode vektor length = ',vl_dim |
---|
1866 | ELSE |
---|
1867 | write(9,*) ' Scalar mode' |
---|
1868 | ENDIF |
---|
1869 | write(9,*) ' ' |
---|
1870 | END IF |
---|
1871 | |
---|
1872 | RETURN |
---|
1873 | |
---|
1874 | END SUBROUTINE chem_parin |
---|
1875 | |
---|
1876 | ! |
---|
1877 | !------------------------------------------------------------------------------! |
---|
1878 | ! |
---|
1879 | ! Description: |
---|
1880 | ! ------------ |
---|
1881 | !> Subroutine calculating prognostic equations for chemical species |
---|
1882 | !> (vector-optimized). |
---|
1883 | !> Routine is called separately for each chemical species over a loop from |
---|
1884 | !> prognostic_equations. |
---|
1885 | !------------------------------------------------------------------------------! |
---|
1886 | SUBROUTINE chem_prognostic_equations ( cs_scalar_p, cs_scalar, tcs_scalar_m, & |
---|
1887 | pr_init_cs, ilsp ) |
---|
1888 | |
---|
1889 | USE advec_s_pw_mod, & |
---|
1890 | ONLY: advec_s_pw |
---|
1891 | USE advec_s_up_mod, & |
---|
1892 | ONLY: advec_s_up |
---|
1893 | USE advec_ws, & |
---|
1894 | ONLY: advec_s_ws |
---|
1895 | USE diffusion_s_mod, & |
---|
1896 | ONLY: diffusion_s |
---|
1897 | USE indices, & |
---|
1898 | ONLY: nxl, nxr, nyn, nys, wall_flags_0 |
---|
1899 | USE pegrid |
---|
1900 | USE surface_mod, & |
---|
1901 | ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, & |
---|
1902 | surf_usm_v |
---|
1903 | |
---|
1904 | IMPLICIT NONE |
---|
1905 | |
---|
1906 | INTEGER :: i !< running index |
---|
1907 | INTEGER :: j !< running index |
---|
1908 | INTEGER :: k !< running index |
---|
1909 | |
---|
1910 | INTEGER(iwp),INTENT(IN) :: ilsp !< |
---|
1911 | |
---|
1912 | REAL(wp), DIMENSION(0:nz+1) :: pr_init_cs !< |
---|
1913 | |
---|
1914 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar !< |
---|
1915 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar_p !< |
---|
1916 | REAL(wp), DIMENSION(:,:,:), POINTER :: tcs_scalar_m !< |
---|
1917 | |
---|
1918 | |
---|
1919 | ! |
---|
1920 | !-- Tendency terms for chemical species |
---|
1921 | tend = 0.0_wp |
---|
1922 | ! |
---|
1923 | !-- Advection terms |
---|
1924 | IF ( timestep_scheme(1:5) == 'runge' ) THEN |
---|
1925 | IF ( ws_scheme_sca ) THEN |
---|
1926 | CALL advec_s_ws( cs_scalar, 'kc' ) |
---|
1927 | ELSE |
---|
1928 | CALL advec_s_pw( cs_scalar ) |
---|
1929 | ENDIF |
---|
1930 | ELSE |
---|
1931 | CALL advec_s_up( cs_scalar ) |
---|
1932 | ENDIF |
---|
1933 | ! |
---|
1934 | !-- Diffusion terms (the last three arguments are zero) |
---|
1935 | CALL diffusion_s( cs_scalar, & |
---|
1936 | surf_def_h(0)%cssws(ilsp,:), & |
---|
1937 | surf_def_h(1)%cssws(ilsp,:), & |
---|
1938 | surf_def_h(2)%cssws(ilsp,:), & |
---|
1939 | surf_lsm_h%cssws(ilsp,:), & |
---|
1940 | surf_usm_h%cssws(ilsp,:), & |
---|
1941 | surf_def_v(0)%cssws(ilsp,:), & |
---|
1942 | surf_def_v(1)%cssws(ilsp,:), & |
---|
1943 | surf_def_v(2)%cssws(ilsp,:), & |
---|
1944 | surf_def_v(3)%cssws(ilsp,:), & |
---|
1945 | surf_lsm_v(0)%cssws(ilsp,:), & |
---|
1946 | surf_lsm_v(1)%cssws(ilsp,:), & |
---|
1947 | surf_lsm_v(2)%cssws(ilsp,:), & |
---|
1948 | surf_lsm_v(3)%cssws(ilsp,:), & |
---|
1949 | surf_usm_v(0)%cssws(ilsp,:), & |
---|
1950 | surf_usm_v(1)%cssws(ilsp,:), & |
---|
1951 | surf_usm_v(2)%cssws(ilsp,:), & |
---|
1952 | surf_usm_v(3)%cssws(ilsp,:) ) |
---|
1953 | ! |
---|
1954 | !-- Prognostic equation for chemical species |
---|
1955 | DO i = nxl, nxr |
---|
1956 | DO j = nys, nyn |
---|
1957 | DO k = nzb+1, nzt |
---|
1958 | cs_scalar_p(k,j,i) = cs_scalar(k,j,i) & |
---|
1959 | + ( dt_3d * & |
---|
1960 | ( tsc(2) * tend(k,j,i) & |
---|
1961 | + tsc(3) * tcs_scalar_m(k,j,i) & |
---|
1962 | ) & |
---|
1963 | - tsc(5) * rdf_sc(k) & |
---|
1964 | * ( cs_scalar(k,j,i) - pr_init_cs(k) ) & |
---|
1965 | ) & |
---|
1966 | * MERGE( 1.0_wp, 0.0_wp, BTEST( wall_flags_0(k,j,i), 0 ) ) |
---|
1967 | |
---|
1968 | IF ( cs_scalar_p(k,j,i) < 0.0_wp ) cs_scalar_p(k,j,i) = 0.1_wp * cs_scalar(k,j,i) |
---|
1969 | ENDDO |
---|
1970 | ENDDO |
---|
1971 | ENDDO |
---|
1972 | ! |
---|
1973 | !-- Calculate tendencies for the next Runge-Kutta step |
---|
1974 | IF ( timestep_scheme(1:5) == 'runge' ) THEN |
---|
1975 | IF ( intermediate_timestep_count == 1 ) THEN |
---|
1976 | DO i = nxl, nxr |
---|
1977 | DO j = nys, nyn |
---|
1978 | DO k = nzb+1, nzt |
---|
1979 | tcs_scalar_m(k,j,i) = tend(k,j,i) |
---|
1980 | ENDDO |
---|
1981 | ENDDO |
---|
1982 | ENDDO |
---|
1983 | ELSEIF ( intermediate_timestep_count < & |
---|
1984 | intermediate_timestep_count_max ) THEN |
---|
1985 | DO i = nxl, nxr |
---|
1986 | DO j = nys, nyn |
---|
1987 | DO k = nzb+1, nzt |
---|
1988 | tcs_scalar_m(k,j,i) = - 9.5625_wp * tend(k,j,i) & |
---|
1989 | + 5.3125_wp * tcs_scalar_m(k,j,i) |
---|
1990 | ENDDO |
---|
1991 | ENDDO |
---|
1992 | ENDDO |
---|
1993 | ENDIF |
---|
1994 | ENDIF |
---|
1995 | |
---|
1996 | END SUBROUTINE chem_prognostic_equations |
---|
1997 | |
---|
1998 | !------------------------------------------------------------------------------! |
---|
1999 | ! |
---|
2000 | ! Description: |
---|
2001 | ! ------------ |
---|
2002 | !> Subroutine calculating prognostic equations for chemical species |
---|
2003 | !> (cache-optimized). |
---|
2004 | !> Routine is called separately for each chemical species over a loop from |
---|
2005 | !> prognostic_equations. |
---|
2006 | !------------------------------------------------------------------------------! |
---|
2007 | SUBROUTINE chem_prognostic_equations_ij ( cs_scalar_p, cs_scalar, tcs_scalar_m, pr_init_cs, & |
---|
2008 | i, j, i_omp_start, tn, ilsp, flux_s_cs, diss_s_cs, & |
---|
2009 | flux_l_cs, diss_l_cs ) |
---|
2010 | USE pegrid |
---|
2011 | USE advec_ws, ONLY: advec_s_ws |
---|
2012 | USE advec_s_pw_mod, ONLY: advec_s_pw |
---|
2013 | USE advec_s_up_mod, ONLY: advec_s_up |
---|
2014 | USE diffusion_s_mod, ONLY: diffusion_s |
---|
2015 | USE indices, ONLY: wall_flags_0 |
---|
2016 | USE surface_mod, ONLY: surf_def_h, surf_def_v, surf_lsm_h, surf_lsm_v, surf_usm_h, & |
---|
2017 | surf_usm_v |
---|
2018 | |
---|
2019 | |
---|
2020 | IMPLICIT NONE |
---|
2021 | |
---|
2022 | REAL(wp), DIMENSION(:,:,:), POINTER :: cs_scalar_p, cs_scalar, tcs_scalar_m |
---|
2023 | |
---|
2024 | INTEGER(iwp),INTENT(IN) :: i, j, i_omp_start, tn, ilsp |
---|
2025 | REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: flux_s_cs !< |
---|
2026 | REAL(wp), DIMENSION(nzb+1:nzt,0:threads_per_task-1) :: diss_s_cs !< |
---|
2027 | REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: flux_l_cs !< |
---|
2028 | REAL(wp), DIMENSION(nzb+1:nzt,nys:nyn,0:threads_per_task-1) :: diss_l_cs !< |
---|
2029 | REAL(wp), DIMENSION(0:nz+1) :: pr_init_cs !< |
---|
2030 | |
---|
2031 | !-- local variables |
---|
2032 | |
---|
2033 | INTEGER :: k |
---|
2034 | ! |
---|
2035 | !-- Tendency-terms for chem spcs. |
---|
2036 | tend(:,j,i) = 0.0_wp |
---|
2037 | ! |
---|
2038 | !-- Advection terms |
---|
2039 | IF ( timestep_scheme(1:5) == 'runge' ) THEN |
---|
2040 | IF ( ws_scheme_sca ) THEN |
---|
2041 | CALL advec_s_ws( i, j, cs_scalar, 'kc', flux_s_cs, diss_s_cs, & |
---|
2042 | flux_l_cs, diss_l_cs, i_omp_start, tn ) |
---|
2043 | ELSE |
---|
2044 | CALL advec_s_pw( i, j, cs_scalar ) |
---|
2045 | ENDIF |
---|
2046 | ELSE |
---|
2047 | CALL advec_s_up( i, j, cs_scalar ) |
---|
2048 | ENDIF |
---|
2049 | |
---|
2050 | ! |
---|
2051 | |
---|
2052 | !-- Diffusion terms (the last three arguments are zero) |
---|
2053 | |
---|
2054 | CALL diffusion_s( i, j, cs_scalar, & |
---|
2055 | surf_def_h(0)%cssws(ilsp,:), surf_def_h(1)%cssws(ilsp,:), & |
---|
2056 | surf_def_h(2)%cssws(ilsp,:), & |
---|
2057 | surf_lsm_h%cssws(ilsp,:), surf_usm_h%cssws(ilsp,:), & |
---|
2058 | surf_def_v(0)%cssws(ilsp,:), surf_def_v(1)%cssws(ilsp,:), & |
---|
2059 | surf_def_v(2)%cssws(ilsp,:), surf_def_v(3)%cssws(ilsp,:), & |
---|
2060 | surf_lsm_v(0)%cssws(ilsp,:), surf_lsm_v(1)%cssws(ilsp,:), & |
---|
2061 | surf_lsm_v(2)%cssws(ilsp,:), surf_lsm_v(3)%cssws(ilsp,:), & |
---|
2062 | surf_usm_v(0)%cssws(ilsp,:), surf_usm_v(1)%cssws(ilsp,:), & |
---|
2063 | surf_usm_v(2)%cssws(ilsp,:), surf_usm_v(3)%cssws(ilsp,:) ) |
---|
2064 | |
---|
2065 | ! |
---|
2066 | !-- Prognostic equation for chem spcs |
---|
2067 | DO k = nzb+1, nzt |
---|
2068 | cs_scalar_p(k,j,i) = cs_scalar(k,j,i) + ( dt_3d * & |
---|
2069 | ( tsc(2) * tend(k,j,i) + & |
---|
2070 | tsc(3) * tcs_scalar_m(k,j,i) ) & |
---|
2071 | - tsc(5) * rdf_sc(k) & |
---|
2072 | * ( cs_scalar(k,j,i) - pr_init_cs(k) ) & |
---|
2073 | ) & |
---|
2074 | * MERGE( 1.0_wp, 0.0_wp, & |
---|
2075 | BTEST( wall_flags_0(k,j,i), 0 ) & |
---|
2076 | ) |
---|
2077 | |
---|
2078 | IF ( cs_scalar_p(k,j,i) < 0.0_wp ) cs_scalar_p(k,j,i) = 0.1_wp * cs_scalar(k,j,i) !FKS6 |
---|
2079 | ENDDO |
---|
2080 | |
---|
2081 | ! |
---|
2082 | !-- Calculate tendencies for the next Runge-Kutta step |
---|
2083 | IF ( timestep_scheme(1:5) == 'runge' ) THEN |
---|
2084 | IF ( intermediate_timestep_count == 1 ) THEN |
---|
2085 | DO k = nzb+1, nzt |
---|
2086 | tcs_scalar_m(k,j,i) = tend(k,j,i) |
---|
2087 | ENDDO |
---|
2088 | ELSEIF ( intermediate_timestep_count < & |
---|
2089 | intermediate_timestep_count_max ) THEN |
---|
2090 | DO k = nzb+1, nzt |
---|
2091 | tcs_scalar_m(k,j,i) = -9.5625_wp * tend(k,j,i) + & |
---|
2092 | 5.3125_wp * tcs_scalar_m(k,j,i) |
---|
2093 | ENDDO |
---|
2094 | ENDIF |
---|
2095 | ENDIF |
---|
2096 | |
---|
2097 | END SUBROUTINE chem_prognostic_equations_ij |
---|
2098 | |
---|
2099 | ! |
---|
2100 | !------------------------------------------------------------------------------! |
---|
2101 | ! |
---|
2102 | ! Description: |
---|
2103 | ! ------------ |
---|
2104 | !> Subroutine to read restart data of chemical species |
---|
2105 | !------------------------------------------------------------------------------! |
---|
2106 | |
---|
2107 | SUBROUTINE chem_rrd_local( i, k, nxlf, nxlc, nxl_on_file, nxrf, nxrc, & |
---|
2108 | nxr_on_file, nynf, nync, nyn_on_file, nysf, nysc, & |
---|
2109 | nys_on_file, tmp_3d, found ) |
---|
2110 | |
---|
2111 | USE control_parameters |
---|
2112 | |
---|
2113 | USE indices |
---|
2114 | |
---|
2115 | USE pegrid |
---|
2116 | |
---|
2117 | IMPLICIT NONE |
---|
2118 | |
---|
2119 | CHARACTER (LEN=20) :: spc_name_av !< |
---|
2120 | |
---|
2121 | INTEGER(iwp) :: i, lsp !< |
---|
2122 | INTEGER(iwp) :: k !< |
---|
2123 | INTEGER(iwp) :: nxlc !< |
---|
2124 | INTEGER(iwp) :: nxlf !< |
---|
2125 | INTEGER(iwp) :: nxl_on_file !< |
---|
2126 | INTEGER(iwp) :: nxrc !< |
---|
2127 | INTEGER(iwp) :: nxrf !< |
---|
2128 | INTEGER(iwp) :: nxr_on_file !< |
---|
2129 | INTEGER(iwp) :: nync !< |
---|
2130 | INTEGER(iwp) :: nynf !< |
---|
2131 | INTEGER(iwp) :: nyn_on_file !< |
---|
2132 | INTEGER(iwp) :: nysc !< |
---|
2133 | INTEGER(iwp) :: nysf !< |
---|
2134 | INTEGER(iwp) :: nys_on_file !< |
---|
2135 | |
---|
2136 | LOGICAL, INTENT(OUT) :: found |
---|
2137 | |
---|
2138 | REAL(wp), DIMENSION(nzb:nzt+1,nys_on_file-nbgp:nyn_on_file+nbgp,nxl_on_file-nbgp:nxr_on_file+nbgp) :: tmp_3d !< 3D array to temp store data |
---|
2139 | |
---|
2140 | |
---|
2141 | found = .FALSE. |
---|
2142 | |
---|
2143 | |
---|
2144 | IF ( ALLOCATED(chem_species) ) THEN |
---|
2145 | |
---|
2146 | DO lsp = 1, nspec |
---|
2147 | |
---|
2148 | !< for time-averaged chemical conc. |
---|
2149 | spc_name_av = TRIM(chem_species(lsp)%name)//'_av' |
---|
2150 | |
---|
2151 | IF (restart_string(1:length) == TRIM(chem_species(lsp)%name) ) & |
---|
2152 | THEN |
---|
2153 | !< read data into tmp_3d |
---|
2154 | IF ( k == 1 ) READ ( 13 ) tmp_3d |
---|
2155 | !< fill ..%conc in the restart run |
---|
2156 | chem_species(lsp)%conc(:,nysc-nbgp:nync+nbgp, & |
---|
2157 | nxlc-nbgp:nxrc+nbgp) = & |
---|
2158 | tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp) |
---|
2159 | found = .TRUE. |
---|
2160 | ELSEIF (restart_string(1:length) == spc_name_av ) THEN |
---|
2161 | IF ( k == 1 ) READ ( 13 ) tmp_3d |
---|
2162 | chem_species(lsp)%conc_av(:,nysc-nbgp:nync+nbgp, & |
---|
2163 | nxlc-nbgp:nxrc+nbgp) = & |
---|
2164 | tmp_3d(:,nysf-nbgp:nynf+nbgp,nxlf-nbgp:nxrf+nbgp) |
---|
2165 | found = .TRUE. |
---|
2166 | ENDIF |
---|
2167 | |
---|
2168 | ENDDO |
---|
2169 | |
---|
2170 | ENDIF |
---|
2171 | |
---|
2172 | |
---|
2173 | END SUBROUTINE chem_rrd_local |
---|
2174 | ! |
---|
2175 | !-------------------------------------------------------------------------------! |
---|
2176 | !> Description: |
---|
2177 | !> Calculation of horizontally averaged profiles |
---|
2178 | !> This routine is called for every statistic region (sr) defined by the user, |
---|
2179 | !> but at least for the region "total domain" (sr=0). |
---|
2180 | !> quantities. |
---|
2181 | !------------------------------------------------------------------------------! |
---|
2182 | SUBROUTINE chem_statistics( mode, sr, tn ) |
---|
2183 | |
---|
2184 | |
---|
2185 | USE arrays_3d |
---|
2186 | USE indices |
---|
2187 | USE kinds |
---|
2188 | USE pegrid |
---|
2189 | USE statistics |
---|
2190 | |
---|
2191 | USE user |
---|
2192 | |
---|
2193 | IMPLICIT NONE |
---|
2194 | |
---|
2195 | CHARACTER (LEN=*) :: mode !< |
---|
2196 | |
---|
2197 | INTEGER(iwp) :: i !< running index on x-axis |
---|
2198 | INTEGER(iwp) :: j !< running index on y-axis |
---|
2199 | INTEGER(iwp) :: k !< vertical index counter |
---|
2200 | INTEGER(iwp) :: sr !< statistical region |
---|
2201 | INTEGER(iwp) :: tn !< thread number |
---|
2202 | INTEGER(iwp) :: n !< |
---|
2203 | INTEGER(iwp) :: m !< |
---|
2204 | INTEGER(iwp) :: lpr !< running index chem spcs |
---|
2205 | ! REAL(wp), & |
---|
2206 | ! DIMENSION(dots_num_palm+1:dots_max) :: & |
---|
2207 | ! ts_value_l !< |
---|
2208 | |
---|
2209 | IF ( mode == 'profiles' ) THEN |
---|
2210 | ! |
---|
2211 | !-- Sample on how to calculate horizontally averaged profiles of user- |
---|
2212 | !-- defined quantities. Each quantity is identified by the index |
---|
2213 | !-- "pr_palm+#" where "#" is an integer starting from 1. These |
---|
2214 | !-- user-profile-numbers must also be assigned to the respective strings |
---|
2215 | !-- given by data_output_pr_cs in routine user_check_data_output_pr. |
---|
2216 | !-- hom(:,:,:,:) = dim-1 = vertical level, dim-2= 1: met-species,2:zu/zw, dim-3 = quantity( e.g. |
---|
2217 | ! w*pt*), dim-4 = statistical region. |
---|
2218 | |
---|
2219 | !$OMP DO |
---|
2220 | DO i = nxl, nxr |
---|
2221 | DO j = nys, nyn |
---|
2222 | DO k = nzb, nzt+1 |
---|
2223 | DO lpr = 1, cs_pr_count |
---|
2224 | |
---|
2225 | sums_l(k,pr_palm+lpr,tn) = sums_l(k,pr_palm+lpr,tn) + & |
---|
2226 | chem_species(cs_pr_index(lpr))%conc(k,j,i) * & |
---|
2227 | rmask(j,i,sr) * & |
---|
2228 | MERGE( 1.0_wp, 0.0_wp, & |
---|
2229 | BTEST( wall_flags_0(k,j,i), 22 ) ) |
---|
2230 | ENDDO |
---|
2231 | ENDDO |
---|
2232 | ENDDO |
---|
2233 | ENDDO |
---|
2234 | ELSEIF ( mode == 'time_series' ) THEN |
---|
2235 | CALL location_message( 'Time series not calculated for chemistry', .TRUE. ) |
---|
2236 | ENDIF |
---|
2237 | |
---|
2238 | END SUBROUTINE chem_statistics |
---|
2239 | ! |
---|
2240 | !------------------------------------------------------------------------------! |
---|
2241 | ! |
---|
2242 | ! Description: |
---|
2243 | ! ------------ |
---|
2244 | !> Subroutine for swapping of timelevels for chemical species |
---|
2245 | !> called out from subroutine swap_timelevel |
---|
2246 | !------------------------------------------------------------------------------! |
---|
2247 | |
---|
2248 | SUBROUTINE chem_swap_timelevel (level) |
---|
2249 | |
---|
2250 | IMPLICIT none |
---|
2251 | |
---|
2252 | INTEGER,INTENT(IN) :: level |
---|
2253 | !-- local variables |
---|
2254 | INTEGER :: lsp |
---|
2255 | |
---|
2256 | |
---|
2257 | IF ( level == 0 ) THEN |
---|
2258 | DO lsp=1, nvar |
---|
2259 | chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp) |
---|
2260 | chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp) |
---|
2261 | ENDDO |
---|
2262 | ELSE |
---|
2263 | DO lsp=1, nvar |
---|
2264 | chem_species(lsp)%conc(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_2(:,:,:,lsp) |
---|
2265 | chem_species(lsp)%conc_p(nzb:nzt+1,nysg:nyng,nxlg:nxrg) => spec_conc_1(:,:,:,lsp) |
---|
2266 | ENDDO |
---|
2267 | ENDIF |
---|
2268 | |
---|
2269 | RETURN |
---|
2270 | END SUBROUTINE chem_swap_timelevel |
---|
2271 | ! |
---|
2272 | !------------------------------------------------------------------------------! |
---|
2273 | ! |
---|
2274 | ! Description: |
---|
2275 | ! ------------ |
---|
2276 | !> Subroutine to write restart data for chemistry model |
---|
2277 | !------------------------------------------------------------------------------! |
---|
2278 | SUBROUTINE chem_wrd_local |
---|
2279 | |
---|
2280 | IMPLICIT NONE |
---|
2281 | |
---|
2282 | INTEGER(iwp) :: lsp !< |
---|
2283 | |
---|
2284 | DO lsp = 1, nspec |
---|
2285 | CALL wrd_write_string( TRIM( chem_species(lsp)%name )) |
---|
2286 | WRITE ( 14 ) chem_species(lsp)%conc |
---|
2287 | CALL wrd_write_string( TRIM( chem_species(lsp)%name )//'_av' ) |
---|
2288 | WRITE ( 14 ) chem_species(lsp)%conc_av |
---|
2289 | ENDDO |
---|
2290 | |
---|
2291 | END SUBROUTINE chem_wrd_local |
---|
2292 | END MODULE chemistry_model_mod |
---|
2293 | |
---|