Changeset 3639 for palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms
- Timestamp:
- Dec 20, 2018 2:06:18 PM (5 years ago)
- Location:
- palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms
- Files:
-
- 5 edited
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def_salsa+simple/chem_gasphase_mod.f90 (modified) (20 diffs)
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def_simple/chem_gasphase_mod.f90 (modified) (21 diffs)
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def_simple/simple.eqn (modified) (2 diffs)
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def_simplep/chem_gasphase_mod.f90 (modified) (20 diffs)
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def_simplep/simplep.eqn (modified) (2 diffs)
Legend:
- Unmodified
- Added
- Removed
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palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_salsa+simple/chem_gasphase_mod.f90
r3585 r3639 113 113 ! 114 114 ! File : chem_gasphase_mod_Parameters.f90 115 ! Time : Fri Nov 30 13:52:202018116 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm115 ! Time : Thu Dec 20 14:58:04 2018 116 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 117 117 ! Equation file : chem_gasphase_mod.kpp 118 118 ! Output root filename : chem_gasphase_mod … … 126 126 127 127 ! NSPEC - Number of chemical species 128 INTEGER, PARAMETER :: nspec = 1 5128 INTEGER, PARAMETER :: nspec = 14 129 129 ! NVAR - Number of Variable species 130 130 INTEGER, PARAMETER :: nvar = 13 … … 132 132 INTEGER, PARAMETER :: nvaract = 11 133 133 ! NFIX - Number of Fixed species 134 INTEGER, PARAMETER :: nfix = 2134 INTEGER, PARAMETER :: nfix = 1 135 135 ! NREACT - Number of reactions 136 136 INTEGER, PARAMETER :: nreact = 11 … … 173 173 174 174 INTEGER, PARAMETER, PUBLIC :: ind_h2o = 14 175 INTEGER, PARAMETER, PUBLIC :: ind_o2 = 15176 175 177 176 ! Index declaration for fixed species in FIX … … 179 178 180 179 INTEGER, PARAMETER :: indf_h2o = 1 181 INTEGER, PARAMETER :: indf_o2 = 2182 180 183 181 ! NJVRP - Length of sparse Jacobian JVRP … … 203 201 ! 204 202 ! File : chem_gasphase_mod_Global.f90 205 ! Time : Fri Nov 30 13:52:202018206 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm203 ! Time : Thu Dec 20 14:58:04 2018 204 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 207 205 ! Equation file : chem_gasphase_mod.kpp 208 206 ! Output root filename : chem_gasphase_mod … … 276 274 ! 277 275 ! File : chem_gasphase_mod_JacobianSP.f90 278 ! Time : Fri Nov 30 13:52:202018279 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm276 ! Time : Thu Dec 20 14:58:04 2018 277 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 280 278 ! Equation file : chem_gasphase_mod.kpp 281 279 ! Output root filename : chem_gasphase_mod … … 328 326 ! 329 327 ! File : chem_gasphase_mod_Monitor.f90 330 ! Time : Fri Nov 30 13:52:202018331 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm328 ! Time : Thu Dec 20 14:58:04 2018 329 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 332 330 ! Equation file : chem_gasphase_mod.kpp 333 331 ! Output root filename : chem_gasphase_mod … … 339 337 340 338 341 CHARACTER(len=15), PARAMETER, DIMENSION(1 5):: spc_names = (/ &339 CHARACTER(len=15), PARAMETER, DIMENSION(14):: spc_names = (/ & 342 340 'H2SO4 ','NH3 ','OCNV ',& 343 341 'OCSV ','HNO3 ','RCHO ',& 344 342 'RH ','O3 ','OH ',& 345 343 'NO2 ','NO ','HO2 ',& 346 'RO2 ','H2O ' ,'O2 '/)344 'RO2 ','H2O ' /) 347 345 348 346 CHARACTER(len=100), PARAMETER, DIMENSION(11):: eqn_names = (/ & 349 347 ' NO2 --> O3 + NO ',& 350 ' O3 --> 2 OH + O2',&348 'O3 + H2O --> 2 OH ',& 351 349 ' O3 + NO --> NO2 ',& 352 350 ' RH + OH --> RO2 + H2O ',& … … 402 400 ! 403 401 ! File : chem_gasphase_mod_Initialize.f90 404 ! Time : Fri Nov 30 13:52:202018405 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm402 ! Time : Thu Dec 20 14:58:04 2018 403 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 406 404 ! Equation file : chem_gasphase_mod.kpp 407 405 ! Output root filename : chem_gasphase_mod … … 428 426 ! 429 427 ! File : chem_gasphase_mod_Integrator.f90 430 ! Time : Fri Nov 30 13:52:202018431 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm428 ! Time : Thu Dec 20 14:58:04 2018 429 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 432 430 ! Equation file : chem_gasphase_mod.kpp 433 431 ! Output root filename : chem_gasphase_mod … … 486 484 ! 487 485 ! File : chem_gasphase_mod_LinearAlgebra.f90 488 ! Time : Fri Nov 30 13:52:202018489 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm486 ! Time : Thu Dec 20 14:58:04 2018 487 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 490 488 ! Equation file : chem_gasphase_mod.kpp 491 489 ! Output root filename : chem_gasphase_mod … … 513 511 ! 514 512 ! File : chem_gasphase_mod_Jacobian.f90 515 ! Time : Fri Nov 30 13:52:202018516 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm513 ! Time : Thu Dec 20 14:58:04 2018 514 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 517 515 ! Equation file : chem_gasphase_mod.kpp 518 516 ! Output root filename : chem_gasphase_mod … … 540 538 ! 541 539 ! File : chem_gasphase_mod_Function.f90 542 ! Time : Fri Nov 30 13:52:202018543 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm540 ! Time : Thu Dec 20 14:58:04 2018 541 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 544 542 ! Equation file : chem_gasphase_mod.kpp 545 543 ! Output root filename : chem_gasphase_mod … … 569 567 ! 570 568 ! File : chem_gasphase_mod_Rates.f90 571 ! Time : Fri Nov 30 13:52:202018572 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm569 ! Time : Thu Dec 20 14:58:04 2018 570 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 573 571 ! Equation file : chem_gasphase_mod.kpp 574 572 ! Output root filename : chem_gasphase_mod … … 595 593 ! 596 594 ! File : chem_gasphase_mod_Util.f90 597 ! Time : Fri Nov 30 13:52:202018598 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181 130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm595 ! Time : Thu Dec 20 14:58:04 2018 596 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 599 597 ! Equation file : chem_gasphase_mod.kpp 600 598 ! Output root filename : chem_gasphase_mod … … 806 804 ! Computation of equation rates 807 805 a(1) = rct(1) * v(10) 808 a(2) = rct(2) * v(8) 806 a(2) = rct(2) * v(8) * f(1) 809 807 a(3) = rct(3) * v(8) * v(11) 810 808 a(4) = rct(4) * v(7) * v(9) … … 872 870 ! Local variables 873 871 ! B - Temporary array 874 REAL(kind=dp):: b(1 6)872 REAL(kind=dp):: b(17) 875 873 876 874 ! B(1) = dA(1)/dV(10) 877 875 b(1) = rct(1) 878 876 ! B(2) = dA(2)/dV(8) 879 b(2) = rct(2) 880 ! B( 3) = dA(3)/dV(8)881 b( 3) = rct(3) * v(11)882 ! B( 4) = dA(3)/dV(11)883 b( 4) = rct(3) * v(8)884 ! B( 5) = dA(4)/dV(7)885 b( 5) = rct(4) * v(9)886 ! B( 6) = dA(4)/dV(9)887 b( 6) = rct(4) * v(7)888 ! B( 7) = dA(5)/dV(11)889 b( 7) = rct(5) * v(13)890 ! B( 8) = dA(5)/dV(13)891 b( 8) = rct(5) * v(11)892 ! B( 9) = dA(6)/dV(11)893 b( 9) = rct(6) * v(12)894 ! B(1 0) = dA(6)/dV(12)895 b(1 0) = rct(6) * v(11)896 ! B(1 1) = dA(7)/dV(9)897 b(1 1) = rct(7) * v(10)898 ! B(1 2) = dA(7)/dV(10)899 b(1 2) = rct(7) * v(9)900 ! B(1 3) = dA(8)/dV(1)901 b(1 3) = rct(8)902 ! B(1 4) = dA(9)/dV(2)903 b(1 4) = rct(9)904 ! B(1 5) = dA(10)/dV(3)905 b(1 5) = rct(10)906 ! B(1 6) = dA(11)/dV(4)907 b(1 6) = rct(11)877 b(2) = rct(2) * f(1) 878 ! B(4) = dA(3)/dV(8) 879 b(4) = rct(3) * v(11) 880 ! B(5) = dA(3)/dV(11) 881 b(5) = rct(3) * v(8) 882 ! B(6) = dA(4)/dV(7) 883 b(6) = rct(4) * v(9) 884 ! B(7) = dA(4)/dV(9) 885 b(7) = rct(4) * v(7) 886 ! B(8) = dA(5)/dV(11) 887 b(8) = rct(5) * v(13) 888 ! B(9) = dA(5)/dV(13) 889 b(9) = rct(5) * v(11) 890 ! B(10) = dA(6)/dV(11) 891 b(10) = rct(6) * v(12) 892 ! B(11) = dA(6)/dV(12) 893 b(11) = rct(6) * v(11) 894 ! B(12) = dA(7)/dV(9) 895 b(12) = rct(7) * v(10) 896 ! B(13) = dA(7)/dV(10) 897 b(13) = rct(7) * v(9) 898 ! B(14) = dA(8)/dV(1) 899 b(14) = rct(8) 900 ! B(15) = dA(9)/dV(2) 901 b(15) = rct(9) 902 ! B(16) = dA(10)/dV(3) 903 b(16) = rct(10) 904 ! B(17) = dA(11)/dV(4) 905 b(17) = rct(11) 908 906 909 907 ! Construct the Jacobian terms from B's … … 919 917 jvs(5) = 0 920 918 ! JVS(6) = Jac_FULL(5,9) 921 jvs(6) = b(1 1)919 jvs(6) = b(12) 922 920 ! JVS(7) = Jac_FULL(5,10) 923 jvs(7) = b(1 2)921 jvs(7) = b(13) 924 922 ! JVS(8) = Jac_FULL(6,6) 925 923 jvs(8) = 0 926 924 ! JVS(9) = Jac_FULL(6,11) 927 jvs(9) = b( 7)925 jvs(9) = b(8) 928 926 ! JVS(10) = Jac_FULL(6,13) 929 jvs(10) = b( 8)927 jvs(10) = b(9) 930 928 ! JVS(11) = Jac_FULL(7,7) 931 jvs(11) = - b( 5)929 jvs(11) = - b(6) 932 930 ! JVS(12) = Jac_FULL(7,9) 933 jvs(12) = - b( 6)931 jvs(12) = - b(7) 934 932 ! JVS(13) = Jac_FULL(8,8) 935 jvs(13) = - b(2) - b( 3)933 jvs(13) = - b(2) - b(4) 936 934 ! JVS(14) = Jac_FULL(8,10) 937 935 jvs(14) = b(1) 938 936 ! JVS(15) = Jac_FULL(8,11) 939 jvs(15) = - b( 4)937 jvs(15) = - b(5) 940 938 ! JVS(16) = Jac_FULL(9,7) 941 jvs(16) = - b( 5)939 jvs(16) = - b(6) 942 940 ! JVS(17) = Jac_FULL(9,8) 943 941 jvs(17) = 2* b(2) 944 942 ! JVS(18) = Jac_FULL(9,9) 945 jvs(18) = - b( 6) - b(11)943 jvs(18) = - b(7) - b(12) 946 944 ! JVS(19) = Jac_FULL(9,10) 947 jvs(19) = - b(1 2)945 jvs(19) = - b(13) 948 946 ! JVS(20) = Jac_FULL(9,11) 949 jvs(20) = b( 9)947 jvs(20) = b(10) 950 948 ! JVS(21) = Jac_FULL(9,12) 951 jvs(21) = b(1 0)949 jvs(21) = b(11) 952 950 ! JVS(22) = Jac_FULL(10,8) 953 jvs(22) = b( 3)951 jvs(22) = b(4) 954 952 ! JVS(23) = Jac_FULL(10,9) 955 jvs(23) = - b(1 1)953 jvs(23) = - b(12) 956 954 ! JVS(24) = Jac_FULL(10,10) 957 jvs(24) = - b(1) - b(1 2)955 jvs(24) = - b(1) - b(13) 958 956 ! JVS(25) = Jac_FULL(10,11) 959 jvs(25) = b( 4) + b(7) + b(9)957 jvs(25) = b(5) + b(8) + b(10) 960 958 ! JVS(26) = Jac_FULL(10,12) 961 jvs(26) = b(1 0)959 jvs(26) = b(11) 962 960 ! JVS(27) = Jac_FULL(10,13) 963 jvs(27) = b( 8)961 jvs(27) = b(9) 964 962 ! JVS(28) = Jac_FULL(11,8) 965 jvs(28) = - b( 3)963 jvs(28) = - b(4) 966 964 ! JVS(29) = Jac_FULL(11,10) 967 965 jvs(29) = b(1) 968 966 ! JVS(30) = Jac_FULL(11,11) 969 jvs(30) = - b( 4) - b(7) - b(9)967 jvs(30) = - b(5) - b(8) - b(10) 970 968 ! JVS(31) = Jac_FULL(11,12) 971 jvs(31) = - b(1 0)969 jvs(31) = - b(11) 972 970 ! JVS(32) = Jac_FULL(11,13) 973 jvs(32) = - b( 8)971 jvs(32) = - b(9) 974 972 ! JVS(33) = Jac_FULL(12,11) 975 jvs(33) = b( 7) - b(9)973 jvs(33) = b(8) - b(10) 976 974 ! JVS(34) = Jac_FULL(12,12) 977 jvs(34) = - b(1 0)975 jvs(34) = - b(11) 978 976 ! JVS(35) = Jac_FULL(12,13) 979 jvs(35) = b( 8)977 jvs(35) = b(9) 980 978 ! JVS(36) = Jac_FULL(13,7) 981 jvs(36) = b( 5)979 jvs(36) = b(6) 982 980 ! JVS(37) = Jac_FULL(13,9) 983 jvs(37) = b( 6)981 jvs(37) = b(7) 984 982 ! JVS(38) = Jac_FULL(13,10) 985 983 jvs(38) = 0 986 984 ! JVS(39) = Jac_FULL(13,11) 987 jvs(39) = - b( 7)985 jvs(39) = - b(8) 988 986 ! JVS(40) = Jac_FULL(13,12) 989 987 jvs(40) = 0 990 988 ! JVS(41) = Jac_FULL(13,13) 991 jvs(41) = - b( 8)989 jvs(41) = - b(9) 992 990 993 991 END SUBROUTINE jac_sp … … 1017 1015 1018 1016 rconst(1) = (phot(j_no2)) 1019 rconst(2) = ( phot(j_o31d))1017 rconst(2) = (2.0_dp * 2.2e-10_dp * phot(j_o31d) / (arr2(1.9e+8_dp , -390.0_dp , temp))) 1020 1018 rconst(3) = (arr2(1.80e-12_dp , 1370.0_dp , temp)) 1021 1019 rconst(4) = (arr2(2.00e-11_dp , 500.0_dp , temp)) -
palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_simple/chem_gasphase_mod.f90
r3606 r3639 113 113 ! 114 114 ! File : chem_gasphase_mod_Parameters.f90 115 ! Time : Fri Dec 7 12:47:102018116 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm115 ! Time : Thu Dec 20 14:57:44 2018 116 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 117 117 ! Equation file : chem_gasphase_mod.kpp 118 118 ! Output root filename : chem_gasphase_mod … … 126 126 127 127 ! NSPEC - Number of chemical species 128 INTEGER, PARAMETER :: nspec = 1 1128 INTEGER, PARAMETER :: nspec = 10 129 129 ! NVAR - Number of Variable species 130 130 INTEGER, PARAMETER :: nvar = 9 … … 132 132 INTEGER, PARAMETER :: nvaract = 7 133 133 ! NFIX - Number of Fixed species 134 INTEGER, PARAMETER :: nfix = 2134 INTEGER, PARAMETER :: nfix = 1 135 135 ! NREACT - Number of reactions 136 136 INTEGER, PARAMETER :: nreact = 7 … … 169 169 170 170 INTEGER, PARAMETER, PUBLIC :: ind_h2o = 10 171 INTEGER, PARAMETER, PUBLIC :: ind_o2 = 11172 171 173 172 ! Index declaration for fixed species in FIX … … 175 174 176 175 INTEGER, PARAMETER :: indf_h2o = 1 177 INTEGER, PARAMETER :: indf_o2 = 2178 176 179 177 ! NJVRP - Length of sparse Jacobian JVRP … … 199 197 ! 200 198 ! File : chem_gasphase_mod_Global.f90 201 ! Time : Fri Dec 7 12:47:102018202 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm199 ! Time : Thu Dec 20 14:57:44 2018 200 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 203 201 ! Equation file : chem_gasphase_mod.kpp 204 202 ! Output root filename : chem_gasphase_mod … … 266 264 ! 267 265 ! File : chem_gasphase_mod_JacobianSP.f90 268 ! Time : Fri Dec 7 12:47:102018269 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm266 ! Time : Thu Dec 20 14:57:44 2018 267 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 270 268 ! Equation file : chem_gasphase_mod.kpp 271 269 ! Output root filename : chem_gasphase_mod … … 316 314 ! 317 315 ! File : chem_gasphase_mod_Monitor.f90 318 ! Time : Fri Dec 7 12:47:102018319 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm316 ! Time : Thu Dec 20 14:57:44 2018 317 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 320 318 ! Equation file : chem_gasphase_mod.kpp 321 319 ! Output root filename : chem_gasphase_mod … … 327 325 328 326 329 CHARACTER(len=15), PARAMETER, DIMENSION(1 1):: spc_names = (/ &327 CHARACTER(len=15), PARAMETER, DIMENSION(10):: spc_names = (/ & 330 328 'HNO3 ','RCHO ','RH ',& 331 329 'HO2 ','RO2 ','OH ',& 332 330 'NO2 ','O3 ','NO ',& 333 'H2O ' ,'O2 '/)331 'H2O ' /) 334 332 335 333 CHARACTER(len=100), PARAMETER, DIMENSION(7):: eqn_names = (/ & 336 334 ' NO2 --> O3 + NO ',& 337 ' O3 --> 2 OH + O2',&335 'O3 + H2O --> 2 OH ',& 338 336 ' O3 + NO --> NO2 ',& 339 337 ' RH + OH --> RO2 + H2O ',& … … 385 383 ! 386 384 ! File : chem_gasphase_mod_Initialize.f90 387 ! Time : Fri Dec 7 12:47:102018388 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm385 ! Time : Thu Dec 20 14:57:44 2018 386 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 389 387 ! Equation file : chem_gasphase_mod.kpp 390 388 ! Output root filename : chem_gasphase_mod … … 411 409 ! 412 410 ! File : chem_gasphase_mod_Integrator.f90 413 ! Time : Fri Dec 7 12:47:102018414 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm411 ! Time : Thu Dec 20 14:57:44 2018 412 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 415 413 ! Equation file : chem_gasphase_mod.kpp 416 414 ! Output root filename : chem_gasphase_mod … … 469 467 ! 470 468 ! File : chem_gasphase_mod_LinearAlgebra.f90 471 ! Time : Fri Dec 7 12:47:102018472 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm469 ! Time : Thu Dec 20 14:57:44 2018 470 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 473 471 ! Equation file : chem_gasphase_mod.kpp 474 472 ! Output root filename : chem_gasphase_mod … … 496 494 ! 497 495 ! File : chem_gasphase_mod_Jacobian.f90 498 ! Time : Fri Dec 7 12:47:102018499 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm496 ! Time : Thu Dec 20 14:57:44 2018 497 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 500 498 ! Equation file : chem_gasphase_mod.kpp 501 499 ! Output root filename : chem_gasphase_mod … … 523 521 ! 524 522 ! File : chem_gasphase_mod_Function.f90 525 ! Time : Fri Dec 7 12:47:102018526 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm523 ! Time : Thu Dec 20 14:57:44 2018 524 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 527 525 ! Equation file : chem_gasphase_mod.kpp 528 526 ! Output root filename : chem_gasphase_mod … … 552 550 ! 553 551 ! File : chem_gasphase_mod_Rates.f90 554 ! Time : Fri Dec 7 12:47:102018555 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm552 ! Time : Thu Dec 20 14:57:44 2018 553 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 556 554 ! Equation file : chem_gasphase_mod.kpp 557 555 ! Output root filename : chem_gasphase_mod … … 578 576 ! 579 577 ! File : chem_gasphase_mod_Util.f90 580 ! Time : Fri Dec 7 12:47:102018581 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm578 ! Time : Thu Dec 20 14:57:44 2018 579 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 582 580 ! Equation file : chem_gasphase_mod.kpp 583 581 ! Output root filename : chem_gasphase_mod … … 789 787 ! Computation of equation rates 790 788 a(1) = rct(1) * v(7) 791 a(2) = rct(2) * v(8) 789 a(2) = rct(2) * v(8) * f(1) 792 790 a(3) = rct(3) * v(8) * v(9) 793 791 a(4) = rct(4) * v(3) * v(6) … … 847 845 ! Local variables 848 846 ! B - Temporary array 849 REAL(kind=dp):: b(1 2)847 REAL(kind=dp):: b(13) 850 848 851 849 ! B(1) = dA(1)/dV(7) 852 850 b(1) = rct(1) 853 851 ! B(2) = dA(2)/dV(8) 854 b(2) = rct(2) 855 ! B( 3) = dA(3)/dV(8)856 b( 3) = rct(3) * v(9)857 ! B( 4) = dA(3)/dV(9)858 b( 4) = rct(3) * v(8)859 ! B( 5) = dA(4)/dV(3)860 b( 5) = rct(4) * v(6)861 ! B( 6) = dA(4)/dV(6)862 b( 6) = rct(4) * v(3)863 ! B( 7) = dA(5)/dV(5)864 b( 7) = rct(5) * v(9)865 ! B( 8) = dA(5)/dV(9)866 b( 8) = rct(5) * v(5)867 ! B( 9) = dA(6)/dV(4)868 b( 9) = rct(6) * v(9)869 ! B(1 0) = dA(6)/dV(9)870 b(1 0) = rct(6) * v(4)871 ! B(1 1) = dA(7)/dV(6)872 b(1 1) = rct(7) * v(7)873 ! B(1 2) = dA(7)/dV(7)874 b(1 2) = rct(7) * v(6)852 b(2) = rct(2) * f(1) 853 ! B(4) = dA(3)/dV(8) 854 b(4) = rct(3) * v(9) 855 ! B(5) = dA(3)/dV(9) 856 b(5) = rct(3) * v(8) 857 ! B(6) = dA(4)/dV(3) 858 b(6) = rct(4) * v(6) 859 ! B(7) = dA(4)/dV(6) 860 b(7) = rct(4) * v(3) 861 ! B(8) = dA(5)/dV(5) 862 b(8) = rct(5) * v(9) 863 ! B(9) = dA(5)/dV(9) 864 b(9) = rct(5) * v(5) 865 ! B(10) = dA(6)/dV(4) 866 b(10) = rct(6) * v(9) 867 ! B(11) = dA(6)/dV(9) 868 b(11) = rct(6) * v(4) 869 ! B(12) = dA(7)/dV(6) 870 b(12) = rct(7) * v(7) 871 ! B(13) = dA(7)/dV(7) 872 b(13) = rct(7) * v(6) 875 873 876 874 ! Construct the Jacobian terms from B's … … 878 876 jvs(1) = 0 879 877 ! JVS(2) = Jac_FULL(1,6) 880 jvs(2) = b(1 1)878 jvs(2) = b(12) 881 879 ! JVS(3) = Jac_FULL(1,7) 882 jvs(3) = b(1 2)880 jvs(3) = b(13) 883 881 ! JVS(4) = Jac_FULL(2,2) 884 882 jvs(4) = 0 885 883 ! JVS(5) = Jac_FULL(2,5) 886 jvs(5) = b( 7)884 jvs(5) = b(8) 887 885 ! JVS(6) = Jac_FULL(2,9) 888 jvs(6) = b( 8)886 jvs(6) = b(9) 889 887 ! JVS(7) = Jac_FULL(3,3) 890 jvs(7) = - b( 5)888 jvs(7) = - b(6) 891 889 ! JVS(8) = Jac_FULL(3,6) 892 jvs(8) = - b( 6)890 jvs(8) = - b(7) 893 891 ! JVS(9) = Jac_FULL(4,4) 894 jvs(9) = - b( 9)892 jvs(9) = - b(10) 895 893 ! JVS(10) = Jac_FULL(4,5) 896 jvs(10) = b( 7)894 jvs(10) = b(8) 897 895 ! JVS(11) = Jac_FULL(4,9) 898 jvs(11) = b( 8) - b(10)896 jvs(11) = b(9) - b(11) 899 897 ! JVS(12) = Jac_FULL(5,3) 900 jvs(12) = b( 5)898 jvs(12) = b(6) 901 899 ! JVS(13) = Jac_FULL(5,5) 902 jvs(13) = - b( 7)900 jvs(13) = - b(8) 903 901 ! JVS(14) = Jac_FULL(5,6) 904 jvs(14) = b( 6)902 jvs(14) = b(7) 905 903 ! JVS(15) = Jac_FULL(5,9) 906 jvs(15) = - b( 8)904 jvs(15) = - b(9) 907 905 ! JVS(16) = Jac_FULL(6,3) 908 jvs(16) = - b( 5)906 jvs(16) = - b(6) 909 907 ! JVS(17) = Jac_FULL(6,4) 910 jvs(17) = b( 9)908 jvs(17) = b(10) 911 909 ! JVS(18) = Jac_FULL(6,5) 912 910 jvs(18) = 0 913 911 ! JVS(19) = Jac_FULL(6,6) 914 jvs(19) = - b( 6) - b(11)912 jvs(19) = - b(7) - b(12) 915 913 ! JVS(20) = Jac_FULL(6,7) 916 jvs(20) = - b(1 2)914 jvs(20) = - b(13) 917 915 ! JVS(21) = Jac_FULL(6,8) 918 916 jvs(21) = 2* b(2) 919 917 ! JVS(22) = Jac_FULL(6,9) 920 jvs(22) = b(1 0)918 jvs(22) = b(11) 921 919 ! JVS(23) = Jac_FULL(7,4) 922 jvs(23) = b( 9)920 jvs(23) = b(10) 923 921 ! JVS(24) = Jac_FULL(7,5) 924 jvs(24) = b( 7)922 jvs(24) = b(8) 925 923 ! JVS(25) = Jac_FULL(7,6) 926 jvs(25) = - b(1 1)924 jvs(25) = - b(12) 927 925 ! JVS(26) = Jac_FULL(7,7) 928 jvs(26) = - b(1) - b(1 2)926 jvs(26) = - b(1) - b(13) 929 927 ! JVS(27) = Jac_FULL(7,8) 930 jvs(27) = b( 3)928 jvs(27) = b(4) 931 929 ! JVS(28) = Jac_FULL(7,9) 932 jvs(28) = b( 4) + b(8) + b(10)930 jvs(28) = b(5) + b(9) + b(11) 933 931 ! JVS(29) = Jac_FULL(8,7) 934 932 jvs(29) = b(1) 935 933 ! JVS(30) = Jac_FULL(8,8) 936 jvs(30) = - b(2) - b( 3)934 jvs(30) = - b(2) - b(4) 937 935 ! JVS(31) = Jac_FULL(8,9) 938 jvs(31) = - b( 4)936 jvs(31) = - b(5) 939 937 ! JVS(32) = Jac_FULL(9,4) 940 jvs(32) = - b( 9)938 jvs(32) = - b(10) 941 939 ! JVS(33) = Jac_FULL(9,5) 942 jvs(33) = - b( 7)940 jvs(33) = - b(8) 943 941 ! JVS(34) = Jac_FULL(9,6) 944 942 jvs(34) = 0 … … 946 944 jvs(35) = b(1) 947 945 ! JVS(36) = Jac_FULL(9,8) 948 jvs(36) = - b( 3)946 jvs(36) = - b(4) 949 947 ! JVS(37) = Jac_FULL(9,9) 950 jvs(37) = - b( 4) - b(8) - b(10)948 jvs(37) = - b(5) - b(9) - b(11) 951 949 952 950 END SUBROUTINE jac_sp … … 976 974 977 975 rconst(1) = (phot(j_no2)) 978 rconst(2) = ( phot(j_o31d) * 0.1_dp)976 rconst(2) = (2.0_dp * 2.2e-10_dp * phot(j_o31d) / (arr2(1.9e+8_dp , -390.0_dp , temp))) 979 977 rconst(3) = (arr2(1.8e-12_dp , 1370.0_dp , temp)) 980 978 rconst(4) = (arr2(2.e-11_dp , 500.0_dp , temp)) -
palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_simple/simple.eqn
r3606 r3639 2 2 Current revision 3 3 ---------------- 4 201711 Created simple.eqn with 6 equations forkel 4 20181220 Fixed effective rate of equation 2 forkel 5 according to eq. 11.1 of 6 http://acmg.seas.harvard.edu/publications/jacobbook/bookchap11.pdf 5 7 20180316 Added equation no. 7 forkel 8 201711xx Created simple.eqn with 6 equations forkel 6 9 } 7 10 #EQUATIONS … … 10 13 11 14 { 1.} NO2 + hv = NO + O3 : phot(j_no2) ; 12 { 2.} O3 + hv = 2OH + O2 : phot(j_o31d) * 0.1_dp;15 { 2.} O3 + H2O = 2OH : 2.0_dp * 2.2E-10_dp * phot(j_o31d) / (arr2(1.9E+8_dp, -390.0_dp, temp)); 13 16 { 3.} NO + O3 = NO2 : arr2(1.8E-12_dp, 1370.0_dp, temp) ; 14 17 { 4.} RH + OH = RO2 + H2O : arr2(2.E-11_dp, 500.0_dp, temp) ; -
palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_simplep/chem_gasphase_mod.f90
r3606 r3639 113 113 ! 114 114 ! File : chem_gasphase_mod_Parameters.f90 115 ! Time : Fri Dec 7 12:47:152018116 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm115 ! Time : Thu Dec 20 14:57:53 2018 116 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 117 117 ! Equation file : chem_gasphase_mod.kpp 118 118 ! Output root filename : chem_gasphase_mod … … 126 126 127 127 ! NSPEC - Number of chemical species 128 INTEGER, PARAMETER :: nspec = 1 2128 INTEGER, PARAMETER :: nspec = 11 129 129 ! NVAR - Number of Variable species 130 130 INTEGER, PARAMETER :: nvar = 10 … … 132 132 INTEGER, PARAMETER :: nvaract = 8 133 133 ! NFIX - Number of Fixed species 134 INTEGER, PARAMETER :: nfix = 2134 INTEGER, PARAMETER :: nfix = 1 135 135 ! NREACT - Number of reactions 136 136 INTEGER, PARAMETER :: nreact = 8 … … 170 170 171 171 INTEGER, PARAMETER, PUBLIC :: ind_h2o = 11 172 INTEGER, PARAMETER, PUBLIC :: ind_o2 = 12173 172 174 173 ! Index declaration for fixed species in FIX … … 176 175 177 176 INTEGER, PARAMETER :: indf_h2o = 1 178 INTEGER, PARAMETER :: indf_o2 = 2179 177 180 178 ! NJVRP - Length of sparse Jacobian JVRP … … 200 198 ! 201 199 ! File : chem_gasphase_mod_Global.f90 202 ! Time : Fri Dec 7 12:47:152018203 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm200 ! Time : Thu Dec 20 14:57:53 2018 201 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 204 202 ! Equation file : chem_gasphase_mod.kpp 205 203 ! Output root filename : chem_gasphase_mod … … 267 265 ! 268 266 ! File : chem_gasphase_mod_JacobianSP.f90 269 ! Time : Fri Dec 7 12:47:152018270 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm267 ! Time : Thu Dec 20 14:57:53 2018 268 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 271 269 ! Equation file : chem_gasphase_mod.kpp 272 270 ! Output root filename : chem_gasphase_mod … … 317 315 ! 318 316 ! File : chem_gasphase_mod_Monitor.f90 319 ! Time : Fri Dec 7 12:47:152018320 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm317 ! Time : Thu Dec 20 14:57:53 2018 318 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 321 319 ! Equation file : chem_gasphase_mod.kpp 322 320 ! Output root filename : chem_gasphase_mod … … 328 326 329 327 330 CHARACTER(len=15), PARAMETER, DIMENSION(1 2):: spc_names = (/ &328 CHARACTER(len=15), PARAMETER, DIMENSION(11):: spc_names = (/ & 331 329 'PM10 ','HNO3 ','RCHO ',& 332 330 'RH ','HO2 ','O3 ',& 333 331 'OH ','RO2 ','NO ',& 334 'NO2 ','H2O ' ,'O2 '/)332 'NO2 ','H2O ' /) 335 333 336 334 CHARACTER(len=100), PARAMETER, DIMENSION(8):: eqn_names = (/ & 337 335 ' NO2 --> O3 + NO ',& 338 ' O3 --> 2 OH + O2',&336 'O3 + H2O --> 2 OH ',& 339 337 ' O3 + NO --> NO2 ',& 340 338 ' RH + OH --> RO2 + H2O ',& … … 387 385 ! 388 386 ! File : chem_gasphase_mod_Initialize.f90 389 ! Time : Fri Dec 7 12:47:152018390 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm387 ! Time : Thu Dec 20 14:57:53 2018 388 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 391 389 ! Equation file : chem_gasphase_mod.kpp 392 390 ! Output root filename : chem_gasphase_mod … … 413 411 ! 414 412 ! File : chem_gasphase_mod_Integrator.f90 415 ! Time : Fri Dec 7 12:47:152018416 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm413 ! Time : Thu Dec 20 14:57:53 2018 414 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 417 415 ! Equation file : chem_gasphase_mod.kpp 418 416 ! Output root filename : chem_gasphase_mod … … 471 469 ! 472 470 ! File : chem_gasphase_mod_LinearAlgebra.f90 473 ! Time : Fri Dec 7 12:47:152018474 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm471 ! Time : Thu Dec 20 14:57:53 2018 472 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 475 473 ! Equation file : chem_gasphase_mod.kpp 476 474 ! Output root filename : chem_gasphase_mod … … 498 496 ! 499 497 ! File : chem_gasphase_mod_Jacobian.f90 500 ! Time : Fri Dec 7 12:47:152018501 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm498 ! Time : Thu Dec 20 14:57:53 2018 499 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 502 500 ! Equation file : chem_gasphase_mod.kpp 503 501 ! Output root filename : chem_gasphase_mod … … 525 523 ! 526 524 ! File : chem_gasphase_mod_Function.f90 527 ! Time : Fri Dec 7 12:47:152018528 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm525 ! Time : Thu Dec 20 14:57:53 2018 526 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 529 527 ! Equation file : chem_gasphase_mod.kpp 530 528 ! Output root filename : chem_gasphase_mod … … 554 552 ! 555 553 ! File : chem_gasphase_mod_Rates.f90 556 ! Time : Fri Dec 7 12:47:152018557 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm554 ! Time : Thu Dec 20 14:57:53 2018 555 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 558 556 ! Equation file : chem_gasphase_mod.kpp 559 557 ! Output root filename : chem_gasphase_mod … … 580 578 ! 581 579 ! File : chem_gasphase_mod_Util.f90 582 ! Time : Fri Dec 7 12:47:152018583 ! Working directory : /home/forkel-r/palmstuff/work/trunk201812 06/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm580 ! Time : Thu Dec 20 14:57:53 2018 581 ! Working directory : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm 584 582 ! Equation file : chem_gasphase_mod.kpp 585 583 ! Output root filename : chem_gasphase_mod … … 791 789 ! Computation of equation rates 792 790 a(1) = rct(1) * v(10) 793 a(2) = rct(2) * v(6) 791 a(2) = rct(2) * v(6) * f(1) 794 792 a(3) = rct(3) * v(6) * v(9) 795 793 a(4) = rct(4) * v(4) * v(7) … … 850 848 ! Local variables 851 849 ! B - Temporary array 852 REAL(kind=dp):: b(1 3)850 REAL(kind=dp):: b(14) 853 851 854 852 ! B(1) = dA(1)/dV(10) 855 853 b(1) = rct(1) 856 854 ! B(2) = dA(2)/dV(6) 857 b(2) = rct(2) 858 ! B( 3) = dA(3)/dV(6)859 b( 3) = rct(3) * v(9)860 ! B( 4) = dA(3)/dV(9)861 b( 4) = rct(3) * v(6)862 ! B( 5) = dA(4)/dV(4)863 b( 5) = rct(4) * v(7)864 ! B( 6) = dA(4)/dV(7)865 b( 6) = rct(4) * v(4)866 ! B( 7) = dA(5)/dV(8)867 b( 7) = rct(5) * v(9)868 ! B( 8) = dA(5)/dV(9)869 b( 8) = rct(5) * v(8)870 ! B( 9) = dA(6)/dV(5)871 b( 9) = rct(6) * v(9)872 ! B(1 0) = dA(6)/dV(9)873 b(1 0) = rct(6) * v(5)874 ! B(1 1) = dA(7)/dV(7)875 b(1 1) = rct(7) * v(10)876 ! B(1 2) = dA(7)/dV(10)877 b(1 2) = rct(7) * v(7)878 ! B(1 3) = dA(8)/dV(1)879 b(1 3) = rct(8)855 b(2) = rct(2) * f(1) 856 ! B(4) = dA(3)/dV(6) 857 b(4) = rct(3) * v(9) 858 ! B(5) = dA(3)/dV(9) 859 b(5) = rct(3) * v(6) 860 ! B(6) = dA(4)/dV(4) 861 b(6) = rct(4) * v(7) 862 ! B(7) = dA(4)/dV(7) 863 b(7) = rct(4) * v(4) 864 ! B(8) = dA(5)/dV(8) 865 b(8) = rct(5) * v(9) 866 ! B(9) = dA(5)/dV(9) 867 b(9) = rct(5) * v(8) 868 ! B(10) = dA(6)/dV(5) 869 b(10) = rct(6) * v(9) 870 ! B(11) = dA(6)/dV(9) 871 b(11) = rct(6) * v(5) 872 ! B(12) = dA(7)/dV(7) 873 b(12) = rct(7) * v(10) 874 ! B(13) = dA(7)/dV(10) 875 b(13) = rct(7) * v(7) 876 ! B(14) = dA(8)/dV(1) 877 b(14) = rct(8) 880 878 881 879 ! Construct the Jacobian terms from B's … … 885 883 jvs(2) = 0 886 884 ! JVS(3) = Jac_FULL(2,7) 887 jvs(3) = b(1 1)885 jvs(3) = b(12) 888 886 ! JVS(4) = Jac_FULL(2,10) 889 jvs(4) = b(1 2)887 jvs(4) = b(13) 890 888 ! JVS(5) = Jac_FULL(3,3) 891 889 jvs(5) = 0 892 890 ! JVS(6) = Jac_FULL(3,8) 893 jvs(6) = b( 7)891 jvs(6) = b(8) 894 892 ! JVS(7) = Jac_FULL(3,9) 895 jvs(7) = b( 8)893 jvs(7) = b(9) 896 894 ! JVS(8) = Jac_FULL(4,4) 897 jvs(8) = - b( 5)895 jvs(8) = - b(6) 898 896 ! JVS(9) = Jac_FULL(4,7) 899 jvs(9) = - b( 6)897 jvs(9) = - b(7) 900 898 ! JVS(10) = Jac_FULL(5,5) 901 jvs(10) = - b( 9)899 jvs(10) = - b(10) 902 900 ! JVS(11) = Jac_FULL(5,8) 903 jvs(11) = b( 7)901 jvs(11) = b(8) 904 902 ! JVS(12) = Jac_FULL(5,9) 905 jvs(12) = b( 8) - b(10)903 jvs(12) = b(9) - b(11) 906 904 ! JVS(13) = Jac_FULL(6,6) 907 jvs(13) = - b(2) - b( 3)905 jvs(13) = - b(2) - b(4) 908 906 ! JVS(14) = Jac_FULL(6,9) 909 jvs(14) = - b( 4)907 jvs(14) = - b(5) 910 908 ! JVS(15) = Jac_FULL(6,10) 911 909 jvs(15) = b(1) 912 910 ! JVS(16) = Jac_FULL(7,4) 913 jvs(16) = - b( 5)911 jvs(16) = - b(6) 914 912 ! JVS(17) = Jac_FULL(7,5) 915 jvs(17) = b( 9)913 jvs(17) = b(10) 916 914 ! JVS(18) = Jac_FULL(7,6) 917 915 jvs(18) = 2* b(2) 918 916 ! JVS(19) = Jac_FULL(7,7) 919 jvs(19) = - b( 6) - b(11)917 jvs(19) = - b(7) - b(12) 920 918 ! JVS(20) = Jac_FULL(7,8) 921 919 jvs(20) = 0 922 920 ! JVS(21) = Jac_FULL(7,9) 923 jvs(21) = b(1 0)921 jvs(21) = b(11) 924 922 ! JVS(22) = Jac_FULL(7,10) 925 jvs(22) = - b(1 2)923 jvs(22) = - b(13) 926 924 ! JVS(23) = Jac_FULL(8,4) 927 jvs(23) = b( 5)925 jvs(23) = b(6) 928 926 ! JVS(24) = Jac_FULL(8,7) 929 jvs(24) = b( 6)927 jvs(24) = b(7) 930 928 ! JVS(25) = Jac_FULL(8,8) 931 jvs(25) = - b( 7)929 jvs(25) = - b(8) 932 930 ! JVS(26) = Jac_FULL(8,9) 933 jvs(26) = - b( 8)931 jvs(26) = - b(9) 934 932 ! JVS(27) = Jac_FULL(8,10) 935 933 jvs(27) = 0 936 934 ! JVS(28) = Jac_FULL(9,5) 937 jvs(28) = - b( 9)935 jvs(28) = - b(10) 938 936 ! JVS(29) = Jac_FULL(9,6) 939 jvs(29) = - b( 3)937 jvs(29) = - b(4) 940 938 ! JVS(30) = Jac_FULL(9,8) 941 jvs(30) = - b( 7)939 jvs(30) = - b(8) 942 940 ! JVS(31) = Jac_FULL(9,9) 943 jvs(31) = - b( 4) - b(8) - b(10)941 jvs(31) = - b(5) - b(9) - b(11) 944 942 ! JVS(32) = Jac_FULL(9,10) 945 943 jvs(32) = b(1) 946 944 ! JVS(33) = Jac_FULL(10,5) 947 jvs(33) = b( 9)945 jvs(33) = b(10) 948 946 ! JVS(34) = Jac_FULL(10,6) 949 jvs(34) = b( 3)947 jvs(34) = b(4) 950 948 ! JVS(35) = Jac_FULL(10,7) 951 jvs(35) = - b(1 1)949 jvs(35) = - b(12) 952 950 ! JVS(36) = Jac_FULL(10,8) 953 jvs(36) = b( 7)951 jvs(36) = b(8) 954 952 ! JVS(37) = Jac_FULL(10,9) 955 jvs(37) = b( 4) + b(8) + b(10)953 jvs(37) = b(5) + b(9) + b(11) 956 954 ! JVS(38) = Jac_FULL(10,10) 957 jvs(38) = - b(1) - b(1 2)955 jvs(38) = - b(1) - b(13) 958 956 959 957 END SUBROUTINE jac_sp … … 983 981 984 982 rconst(1) = (phot(j_no2)) 985 rconst(2) = ( phot(j_o31d) * 0.1_dp)983 rconst(2) = (2.0_dp * 2.2e-10_dp * phot(j_o31d) / (arr2(1.9e+8_dp , -390.0_dp , temp))) 986 984 rconst(3) = (arr2(1.8e-12_dp , 1370.0_dp , temp)) 987 985 rconst(4) = (arr2(2.e-11_dp , 500.0_dp , temp)) -
palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_simplep/simplep.eqn
r3606 r3639 2 2 Current revision 3 3 ---------------- 4 201711 Created simple.eqn with 6 equations forkel 5 20180316 'simple' gas phase chemistry with additional tracer named PM10 forkel 4 20181220 Fixed effective rate of equation 2 forkel 5 according to eq. 11.1 of 6 http://acmg.seas.harvard.edu/publications/jacobbook/bookchap11.pdf 7 20180316 Added passive compound named PM10 forkel 8 20180316 Added equation no. 7 forkel 9 201711xx Created simple.eqn with 6 equations forkel 6 10 } 7 11 #EQUATIONS … … 10 14 11 15 { 1.} NO2 + hv = NO + O3 : phot(j_no2) ; 12 { 2.} O3 + hv = 2OH + O2 : phot(j_o31d) * 0.1_dp;16 { 2.} O3 + H2O = 2OH : 2.0_dp * 2.2E-10_dp * phot(j_o31d) / (arr2(1.9E+8_dp, -390.0_dp, temp)); 13 17 { 3.} NO + O3 = NO2 : arr2(1.8E-12_dp, 1370.0_dp, temp) ; 14 18 { 4.} RH + OH = RO2 + H2O : arr2(2.E-11_dp, 500.0_dp, temp) ;
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