Changeset 3639 for palm/trunk/UTIL


Ignore:
Timestamp:
Dec 20, 2018 2:06:18 PM (3 years ago)
Author:
forkel
Message:

Bug fix of rate of eq.2 in simple.eqn and derived mechanisms, update of corresponding chem_gasphase_mod.f90

Location:
palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms
Files:
5 edited

Legend:

Unmodified
Added
Removed
  • palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_salsa+simple/chem_gasphase_mod.f90

    r3585 r3639  
    113113!
    114114! File                 : chem_gasphase_mod_Parameters.f90
    115 ! Time                 : Fri Nov 30 13:52:20 2018
    116 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     115! Time                 : Thu Dec 20 14:58:04 2018
     116! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    117117! Equation file        : chem_gasphase_mod.kpp
    118118! Output root filename : chem_gasphase_mod
     
    126126
    127127! NSPEC - Number of chemical species
    128   INTEGER, PARAMETER :: nspec = 15
     128  INTEGER, PARAMETER :: nspec = 14
    129129! NVAR - Number of Variable species
    130130  INTEGER, PARAMETER :: nvar = 13
     
    132132  INTEGER, PARAMETER :: nvaract = 11
    133133! NFIX - Number of Fixed species
    134   INTEGER, PARAMETER :: nfix = 2
     134  INTEGER, PARAMETER :: nfix = 1
    135135! NREACT - Number of reactions
    136136  INTEGER, PARAMETER :: nreact = 11
     
    173173
    174174  INTEGER, PARAMETER, PUBLIC :: ind_h2o = 14
    175   INTEGER, PARAMETER, PUBLIC :: ind_o2 = 15
    176175
    177176! Index declaration for fixed species in FIX
     
    179178
    180179  INTEGER, PARAMETER :: indf_h2o = 1
    181   INTEGER, PARAMETER :: indf_o2 = 2
    182180
    183181! NJVRP - Length of sparse Jacobian JVRP
     
    203201!
    204202! File                 : chem_gasphase_mod_Global.f90
    205 ! Time                 : Fri Nov 30 13:52:20 2018
    206 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     203! Time                 : Thu Dec 20 14:58:04 2018
     204! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    207205! Equation file        : chem_gasphase_mod.kpp
    208206! Output root filename : chem_gasphase_mod
     
    276274!
    277275! File                 : chem_gasphase_mod_JacobianSP.f90
    278 ! Time                 : Fri Nov 30 13:52:20 2018
    279 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     276! Time                 : Thu Dec 20 14:58:04 2018
     277! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    280278! Equation file        : chem_gasphase_mod.kpp
    281279! Output root filename : chem_gasphase_mod
     
    328326!
    329327! File                 : chem_gasphase_mod_Monitor.f90
    330 ! Time                 : Fri Nov 30 13:52:20 2018
    331 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     328! Time                 : Thu Dec 20 14:58:04 2018
     329! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    332330! Equation file        : chem_gasphase_mod.kpp
    333331! Output root filename : chem_gasphase_mod
     
    339337
    340338
    341   CHARACTER(len=15), PARAMETER, DIMENSION(15):: spc_names =  (/ &
     339  CHARACTER(len=15), PARAMETER, DIMENSION(14):: spc_names =  (/ &
    342340     'H2SO4          ','NH3            ','OCNV           ',&
    343341     'OCSV           ','HNO3           ','RCHO           ',&
    344342     'RH             ','O3             ','OH             ',&
    345343     'NO2            ','NO             ','HO2            ',&
    346      'RO2            ','H2O            ','O2             ' /)
     344     'RO2            ','H2O            ' /)
    347345
    348346  CHARACTER(len=100), PARAMETER, DIMENSION(11):: eqn_names =  (/ &
    349347     '     NO2 --> O3 + NO                                                                                ',&
    350      '      O3 --> 2 OH + O2                                                                              ',&
     348     'O3 + H2O --> 2 OH                                                                                   ',&
    351349     ' O3 + NO --> NO2                                                                                    ',&
    352350     ' RH + OH --> RO2 + H2O                                                                              ',&
     
    402400!
    403401! File                 : chem_gasphase_mod_Initialize.f90
    404 ! Time                 : Fri Nov 30 13:52:20 2018
    405 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     402! Time                 : Thu Dec 20 14:58:04 2018
     403! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    406404! Equation file        : chem_gasphase_mod.kpp
    407405! Output root filename : chem_gasphase_mod
     
    428426!
    429427! File                 : chem_gasphase_mod_Integrator.f90
    430 ! Time                 : Fri Nov 30 13:52:20 2018
    431 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     428! Time                 : Thu Dec 20 14:58:04 2018
     429! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    432430! Equation file        : chem_gasphase_mod.kpp
    433431! Output root filename : chem_gasphase_mod
     
    486484!
    487485! File                 : chem_gasphase_mod_LinearAlgebra.f90
    488 ! Time                 : Fri Nov 30 13:52:20 2018
    489 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     486! Time                 : Thu Dec 20 14:58:04 2018
     487! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    490488! Equation file        : chem_gasphase_mod.kpp
    491489! Output root filename : chem_gasphase_mod
     
    513511!
    514512! File                 : chem_gasphase_mod_Jacobian.f90
    515 ! Time                 : Fri Nov 30 13:52:20 2018
    516 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     513! Time                 : Thu Dec 20 14:58:04 2018
     514! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    517515! Equation file        : chem_gasphase_mod.kpp
    518516! Output root filename : chem_gasphase_mod
     
    540538!
    541539! File                 : chem_gasphase_mod_Function.f90
    542 ! Time                 : Fri Nov 30 13:52:20 2018
    543 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     540! Time                 : Thu Dec 20 14:58:04 2018
     541! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    544542! Equation file        : chem_gasphase_mod.kpp
    545543! Output root filename : chem_gasphase_mod
     
    569567!
    570568! File                 : chem_gasphase_mod_Rates.f90
    571 ! Time                 : Fri Nov 30 13:52:20 2018
    572 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     569! Time                 : Thu Dec 20 14:58:04 2018
     570! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    573571! Equation file        : chem_gasphase_mod.kpp
    574572! Output root filename : chem_gasphase_mod
     
    595593!
    596594! File                 : chem_gasphase_mod_Util.f90
    597 ! Time                 : Fri Nov 30 13:52:20 2018
    598 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181130/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     595! Time                 : Thu Dec 20 14:58:04 2018
     596! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    599597! Equation file        : chem_gasphase_mod.kpp
    600598! Output root filename : chem_gasphase_mod
     
    806804! Computation of equation rates
    807805  a(1) = rct(1) * v(10)
    808   a(2) = rct(2) * v(8)
     806  a(2) = rct(2) * v(8) * f(1)
    809807  a(3) = rct(3) * v(8) * v(11)
    810808  a(4) = rct(4) * v(7) * v(9)
     
    872870! Local variables
    873871! B - Temporary array
    874   REAL(kind=dp):: b(16)
     872  REAL(kind=dp):: b(17)
    875873
    876874! B(1) = dA(1)/dV(10)
    877875  b(1) = rct(1)
    878876! 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(10) = dA(6)/dV(12)
    895   b(10) = rct(6) * v(11)
    896 ! B(11) = dA(7)/dV(9)
    897   b(11) = rct(7) * v(10)
    898 ! B(12) = dA(7)/dV(10)
    899   b(12) = rct(7) * v(9)
    900 ! B(13) = dA(8)/dV(1)
    901   b(13) = rct(8)
    902 ! B(14) = dA(9)/dV(2)
    903   b(14) = rct(9)
    904 ! B(15) = dA(10)/dV(3)
    905   b(15) = rct(10)
    906 ! B(16) = dA(11)/dV(4)
    907   b(16) = 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)
    908906
    909907! Construct the Jacobian terms from B's
     
    919917  jvs(5) = 0
    920918! JVS(6) = Jac_FULL(5,9)
    921   jvs(6) = b(11)
     919  jvs(6) = b(12)
    922920! JVS(7) = Jac_FULL(5,10)
    923   jvs(7) = b(12)
     921  jvs(7) = b(13)
    924922! JVS(8) = Jac_FULL(6,6)
    925923  jvs(8) = 0
    926924! JVS(9) = Jac_FULL(6,11)
    927   jvs(9) = b(7)
     925  jvs(9) = b(8)
    928926! JVS(10) = Jac_FULL(6,13)
    929   jvs(10) = b(8)
     927  jvs(10) = b(9)
    930928! JVS(11) = Jac_FULL(7,7)
    931   jvs(11) = - b(5)
     929  jvs(11) = - b(6)
    932930! JVS(12) = Jac_FULL(7,9)
    933   jvs(12) = - b(6)
     931  jvs(12) = - b(7)
    934932! JVS(13) = Jac_FULL(8,8)
    935   jvs(13) = - b(2) - b(3)
     933  jvs(13) = - b(2) - b(4)
    936934! JVS(14) = Jac_FULL(8,10)
    937935  jvs(14) = b(1)
    938936! JVS(15) = Jac_FULL(8,11)
    939   jvs(15) = - b(4)
     937  jvs(15) = - b(5)
    940938! JVS(16) = Jac_FULL(9,7)
    941   jvs(16) = - b(5)
     939  jvs(16) = - b(6)
    942940! JVS(17) = Jac_FULL(9,8)
    943941  jvs(17) = 2* b(2)
    944942! JVS(18) = Jac_FULL(9,9)
    945   jvs(18) = - b(6) - b(11)
     943  jvs(18) = - b(7) - b(12)
    946944! JVS(19) = Jac_FULL(9,10)
    947   jvs(19) = - b(12)
     945  jvs(19) = - b(13)
    948946! JVS(20) = Jac_FULL(9,11)
    949   jvs(20) = b(9)
     947  jvs(20) = b(10)
    950948! JVS(21) = Jac_FULL(9,12)
    951   jvs(21) = b(10)
     949  jvs(21) = b(11)
    952950! JVS(22) = Jac_FULL(10,8)
    953   jvs(22) = b(3)
     951  jvs(22) = b(4)
    954952! JVS(23) = Jac_FULL(10,9)
    955   jvs(23) = - b(11)
     953  jvs(23) = - b(12)
    956954! JVS(24) = Jac_FULL(10,10)
    957   jvs(24) = - b(1) - b(12)
     955  jvs(24) = - b(1) - b(13)
    958956! JVS(25) = Jac_FULL(10,11)
    959   jvs(25) = b(4) + b(7) + b(9)
     957  jvs(25) = b(5) + b(8) + b(10)
    960958! JVS(26) = Jac_FULL(10,12)
    961   jvs(26) = b(10)
     959  jvs(26) = b(11)
    962960! JVS(27) = Jac_FULL(10,13)
    963   jvs(27) = b(8)
     961  jvs(27) = b(9)
    964962! JVS(28) = Jac_FULL(11,8)
    965   jvs(28) = - b(3)
     963  jvs(28) = - b(4)
    966964! JVS(29) = Jac_FULL(11,10)
    967965  jvs(29) = b(1)
    968966! JVS(30) = Jac_FULL(11,11)
    969   jvs(30) = - b(4) - b(7) - b(9)
     967  jvs(30) = - b(5) - b(8) - b(10)
    970968! JVS(31) = Jac_FULL(11,12)
    971   jvs(31) = - b(10)
     969  jvs(31) = - b(11)
    972970! JVS(32) = Jac_FULL(11,13)
    973   jvs(32) = - b(8)
     971  jvs(32) = - b(9)
    974972! JVS(33) = Jac_FULL(12,11)
    975   jvs(33) = b(7) - b(9)
     973  jvs(33) = b(8) - b(10)
    976974! JVS(34) = Jac_FULL(12,12)
    977   jvs(34) = - b(10)
     975  jvs(34) = - b(11)
    978976! JVS(35) = Jac_FULL(12,13)
    979   jvs(35) = b(8)
     977  jvs(35) = b(9)
    980978! JVS(36) = Jac_FULL(13,7)
    981   jvs(36) = b(5)
     979  jvs(36) = b(6)
    982980! JVS(37) = Jac_FULL(13,9)
    983   jvs(37) = b(6)
     981  jvs(37) = b(7)
    984982! JVS(38) = Jac_FULL(13,10)
    985983  jvs(38) = 0
    986984! JVS(39) = Jac_FULL(13,11)
    987   jvs(39) = - b(7)
     985  jvs(39) = - b(8)
    988986! JVS(40) = Jac_FULL(13,12)
    989987  jvs(40) = 0
    990988! JVS(41) = Jac_FULL(13,13)
    991   jvs(41) = - b(8)
     989  jvs(41) = - b(9)
    992990     
    993991END SUBROUTINE jac_sp
     
    10171015
    10181016  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)))
    10201018  rconst(3) = (arr2(1.80e-12_dp , 1370.0_dp , temp))
    10211019  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  
    113113!
    114114! File                 : chem_gasphase_mod_Parameters.f90
    115 ! Time                 : Fri Dec  7 12:47:10 2018
    116 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     115! Time                 : Thu Dec 20 14:57:44 2018
     116! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    117117! Equation file        : chem_gasphase_mod.kpp
    118118! Output root filename : chem_gasphase_mod
     
    126126
    127127! NSPEC - Number of chemical species
    128   INTEGER, PARAMETER :: nspec = 11
     128  INTEGER, PARAMETER :: nspec = 10
    129129! NVAR - Number of Variable species
    130130  INTEGER, PARAMETER :: nvar = 9
     
    132132  INTEGER, PARAMETER :: nvaract = 7
    133133! NFIX - Number of Fixed species
    134   INTEGER, PARAMETER :: nfix = 2
     134  INTEGER, PARAMETER :: nfix = 1
    135135! NREACT - Number of reactions
    136136  INTEGER, PARAMETER :: nreact = 7
     
    169169
    170170  INTEGER, PARAMETER, PUBLIC :: ind_h2o = 10
    171   INTEGER, PARAMETER, PUBLIC :: ind_o2 = 11
    172171
    173172! Index declaration for fixed species in FIX
     
    175174
    176175  INTEGER, PARAMETER :: indf_h2o = 1
    177   INTEGER, PARAMETER :: indf_o2 = 2
    178176
    179177! NJVRP - Length of sparse Jacobian JVRP
     
    199197!
    200198! File                 : chem_gasphase_mod_Global.f90
    201 ! Time                 : Fri Dec  7 12:47:10 2018
    202 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     199! Time                 : Thu Dec 20 14:57:44 2018
     200! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    203201! Equation file        : chem_gasphase_mod.kpp
    204202! Output root filename : chem_gasphase_mod
     
    266264!
    267265! File                 : chem_gasphase_mod_JacobianSP.f90
    268 ! Time                 : Fri Dec  7 12:47:10 2018
    269 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     266! Time                 : Thu Dec 20 14:57:44 2018
     267! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    270268! Equation file        : chem_gasphase_mod.kpp
    271269! Output root filename : chem_gasphase_mod
     
    316314!
    317315! File                 : chem_gasphase_mod_Monitor.f90
    318 ! Time                 : Fri Dec  7 12:47:10 2018
    319 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     316! Time                 : Thu Dec 20 14:57:44 2018
     317! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    320318! Equation file        : chem_gasphase_mod.kpp
    321319! Output root filename : chem_gasphase_mod
     
    327325
    328326
    329   CHARACTER(len=15), PARAMETER, DIMENSION(11):: spc_names =  (/ &
     327  CHARACTER(len=15), PARAMETER, DIMENSION(10):: spc_names =  (/ &
    330328     'HNO3           ','RCHO           ','RH             ',&
    331329     'HO2            ','RO2            ','OH             ',&
    332330     'NO2            ','O3             ','NO             ',&
    333      'H2O            ','O2             ' /)
     331     'H2O            ' /)
    334332
    335333  CHARACTER(len=100), PARAMETER, DIMENSION(7):: eqn_names =  (/ &
    336334     '     NO2 --> O3 + NO                                                                                ',&
    337      '      O3 --> 2 OH + O2                                                                              ',&
     335     'O3 + H2O --> 2 OH                                                                                   ',&
    338336     ' O3 + NO --> NO2                                                                                    ',&
    339337     ' RH + OH --> RO2 + H2O                                                                              ',&
     
    385383!
    386384! File                 : chem_gasphase_mod_Initialize.f90
    387 ! Time                 : Fri Dec  7 12:47:10 2018
    388 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     385! Time                 : Thu Dec 20 14:57:44 2018
     386! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    389387! Equation file        : chem_gasphase_mod.kpp
    390388! Output root filename : chem_gasphase_mod
     
    411409!
    412410! File                 : chem_gasphase_mod_Integrator.f90
    413 ! Time                 : Fri Dec  7 12:47:10 2018
    414 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     411! Time                 : Thu Dec 20 14:57:44 2018
     412! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    415413! Equation file        : chem_gasphase_mod.kpp
    416414! Output root filename : chem_gasphase_mod
     
    469467!
    470468! File                 : chem_gasphase_mod_LinearAlgebra.f90
    471 ! Time                 : Fri Dec  7 12:47:10 2018
    472 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     469! Time                 : Thu Dec 20 14:57:44 2018
     470! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    473471! Equation file        : chem_gasphase_mod.kpp
    474472! Output root filename : chem_gasphase_mod
     
    496494!
    497495! File                 : chem_gasphase_mod_Jacobian.f90
    498 ! Time                 : Fri Dec  7 12:47:10 2018
    499 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     496! Time                 : Thu Dec 20 14:57:44 2018
     497! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    500498! Equation file        : chem_gasphase_mod.kpp
    501499! Output root filename : chem_gasphase_mod
     
    523521!
    524522! File                 : chem_gasphase_mod_Function.f90
    525 ! Time                 : Fri Dec  7 12:47:10 2018
    526 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     523! Time                 : Thu Dec 20 14:57:44 2018
     524! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    527525! Equation file        : chem_gasphase_mod.kpp
    528526! Output root filename : chem_gasphase_mod
     
    552550!
    553551! File                 : chem_gasphase_mod_Rates.f90
    554 ! Time                 : Fri Dec  7 12:47:10 2018
    555 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     552! Time                 : Thu Dec 20 14:57:44 2018
     553! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    556554! Equation file        : chem_gasphase_mod.kpp
    557555! Output root filename : chem_gasphase_mod
     
    578576!
    579577! File                 : chem_gasphase_mod_Util.f90
    580 ! Time                 : Fri Dec  7 12:47:10 2018
    581 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     578! Time                 : Thu Dec 20 14:57:44 2018
     579! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    582580! Equation file        : chem_gasphase_mod.kpp
    583581! Output root filename : chem_gasphase_mod
     
    789787! Computation of equation rates
    790788  a(1) = rct(1) * v(7)
    791   a(2) = rct(2) * v(8)
     789  a(2) = rct(2) * v(8) * f(1)
    792790  a(3) = rct(3) * v(8) * v(9)
    793791  a(4) = rct(4) * v(3) * v(6)
     
    847845! Local variables
    848846! B - Temporary array
    849   REAL(kind=dp):: b(12)
     847  REAL(kind=dp):: b(13)
    850848
    851849! B(1) = dA(1)/dV(7)
    852850  b(1) = rct(1)
    853851! 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(10) = dA(6)/dV(9)
    870   b(10) = rct(6) * v(4)
    871 ! B(11) = dA(7)/dV(6)
    872   b(11) = rct(7) * v(7)
    873 ! B(12) = dA(7)/dV(7)
    874   b(12) = 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)
    875873
    876874! Construct the Jacobian terms from B's
     
    878876  jvs(1) = 0
    879877! JVS(2) = Jac_FULL(1,6)
    880   jvs(2) = b(11)
     878  jvs(2) = b(12)
    881879! JVS(3) = Jac_FULL(1,7)
    882   jvs(3) = b(12)
     880  jvs(3) = b(13)
    883881! JVS(4) = Jac_FULL(2,2)
    884882  jvs(4) = 0
    885883! JVS(5) = Jac_FULL(2,5)
    886   jvs(5) = b(7)
     884  jvs(5) = b(8)
    887885! JVS(6) = Jac_FULL(2,9)
    888   jvs(6) = b(8)
     886  jvs(6) = b(9)
    889887! JVS(7) = Jac_FULL(3,3)
    890   jvs(7) = - b(5)
     888  jvs(7) = - b(6)
    891889! JVS(8) = Jac_FULL(3,6)
    892   jvs(8) = - b(6)
     890  jvs(8) = - b(7)
    893891! JVS(9) = Jac_FULL(4,4)
    894   jvs(9) = - b(9)
     892  jvs(9) = - b(10)
    895893! JVS(10) = Jac_FULL(4,5)
    896   jvs(10) = b(7)
     894  jvs(10) = b(8)
    897895! JVS(11) = Jac_FULL(4,9)
    898   jvs(11) = b(8) - b(10)
     896  jvs(11) = b(9) - b(11)
    899897! JVS(12) = Jac_FULL(5,3)
    900   jvs(12) = b(5)
     898  jvs(12) = b(6)
    901899! JVS(13) = Jac_FULL(5,5)
    902   jvs(13) = - b(7)
     900  jvs(13) = - b(8)
    903901! JVS(14) = Jac_FULL(5,6)
    904   jvs(14) = b(6)
     902  jvs(14) = b(7)
    905903! JVS(15) = Jac_FULL(5,9)
    906   jvs(15) = - b(8)
     904  jvs(15) = - b(9)
    907905! JVS(16) = Jac_FULL(6,3)
    908   jvs(16) = - b(5)
     906  jvs(16) = - b(6)
    909907! JVS(17) = Jac_FULL(6,4)
    910   jvs(17) = b(9)
     908  jvs(17) = b(10)
    911909! JVS(18) = Jac_FULL(6,5)
    912910  jvs(18) = 0
    913911! JVS(19) = Jac_FULL(6,6)
    914   jvs(19) = - b(6) - b(11)
     912  jvs(19) = - b(7) - b(12)
    915913! JVS(20) = Jac_FULL(6,7)
    916   jvs(20) = - b(12)
     914  jvs(20) = - b(13)
    917915! JVS(21) = Jac_FULL(6,8)
    918916  jvs(21) = 2* b(2)
    919917! JVS(22) = Jac_FULL(6,9)
    920   jvs(22) = b(10)
     918  jvs(22) = b(11)
    921919! JVS(23) = Jac_FULL(7,4)
    922   jvs(23) = b(9)
     920  jvs(23) = b(10)
    923921! JVS(24) = Jac_FULL(7,5)
    924   jvs(24) = b(7)
     922  jvs(24) = b(8)
    925923! JVS(25) = Jac_FULL(7,6)
    926   jvs(25) = - b(11)
     924  jvs(25) = - b(12)
    927925! JVS(26) = Jac_FULL(7,7)
    928   jvs(26) = - b(1) - b(12)
     926  jvs(26) = - b(1) - b(13)
    929927! JVS(27) = Jac_FULL(7,8)
    930   jvs(27) = b(3)
     928  jvs(27) = b(4)
    931929! JVS(28) = Jac_FULL(7,9)
    932   jvs(28) = b(4) + b(8) + b(10)
     930  jvs(28) = b(5) + b(9) + b(11)
    933931! JVS(29) = Jac_FULL(8,7)
    934932  jvs(29) = b(1)
    935933! JVS(30) = Jac_FULL(8,8)
    936   jvs(30) = - b(2) - b(3)
     934  jvs(30) = - b(2) - b(4)
    937935! JVS(31) = Jac_FULL(8,9)
    938   jvs(31) = - b(4)
     936  jvs(31) = - b(5)
    939937! JVS(32) = Jac_FULL(9,4)
    940   jvs(32) = - b(9)
     938  jvs(32) = - b(10)
    941939! JVS(33) = Jac_FULL(9,5)
    942   jvs(33) = - b(7)
     940  jvs(33) = - b(8)
    943941! JVS(34) = Jac_FULL(9,6)
    944942  jvs(34) = 0
     
    946944  jvs(35) = b(1)
    947945! JVS(36) = Jac_FULL(9,8)
    948   jvs(36) = - b(3)
     946  jvs(36) = - b(4)
    949947! JVS(37) = Jac_FULL(9,9)
    950   jvs(37) = - b(4) - b(8) - b(10)
     948  jvs(37) = - b(5) - b(9) - b(11)
    951949     
    952950END SUBROUTINE jac_sp
     
    976974
    977975  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)))
    979977  rconst(3) = (arr2(1.8e-12_dp , 1370.0_dp , temp))
    980978  rconst(4) = (arr2(2.e-11_dp , 500.0_dp , temp))
  • palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_simple/simple.eqn

    r3606 r3639  
    22Current revision
    33----------------
    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
    57 20180316 Added equation no. 7                forkel
     8 201711xx Created simple.eqn with 6 equations forkel
    69}
    710#EQUATIONS
     
    1013
    1114  { 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));
    1316  { 3.}  NO + O3 = NO2 :                     arr2(1.8E-12_dp, 1370.0_dp, temp) ;
    1417  { 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  
    113113!
    114114! File                 : chem_gasphase_mod_Parameters.f90
    115 ! Time                 : Fri Dec  7 12:47:15 2018
    116 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     115! Time                 : Thu Dec 20 14:57:53 2018
     116! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    117117! Equation file        : chem_gasphase_mod.kpp
    118118! Output root filename : chem_gasphase_mod
     
    126126
    127127! NSPEC - Number of chemical species
    128   INTEGER, PARAMETER :: nspec = 12
     128  INTEGER, PARAMETER :: nspec = 11
    129129! NVAR - Number of Variable species
    130130  INTEGER, PARAMETER :: nvar = 10
     
    132132  INTEGER, PARAMETER :: nvaract = 8
    133133! NFIX - Number of Fixed species
    134   INTEGER, PARAMETER :: nfix = 2
     134  INTEGER, PARAMETER :: nfix = 1
    135135! NREACT - Number of reactions
    136136  INTEGER, PARAMETER :: nreact = 8
     
    170170
    171171  INTEGER, PARAMETER, PUBLIC :: ind_h2o = 11
    172   INTEGER, PARAMETER, PUBLIC :: ind_o2 = 12
    173172
    174173! Index declaration for fixed species in FIX
     
    176175
    177176  INTEGER, PARAMETER :: indf_h2o = 1
    178   INTEGER, PARAMETER :: indf_o2 = 2
    179177
    180178! NJVRP - Length of sparse Jacobian JVRP
     
    200198!
    201199! File                 : chem_gasphase_mod_Global.f90
    202 ! Time                 : Fri Dec  7 12:47:15 2018
    203 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     200! Time                 : Thu Dec 20 14:57:53 2018
     201! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    204202! Equation file        : chem_gasphase_mod.kpp
    205203! Output root filename : chem_gasphase_mod
     
    267265!
    268266! File                 : chem_gasphase_mod_JacobianSP.f90
    269 ! Time                 : Fri Dec  7 12:47:15 2018
    270 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     267! Time                 : Thu Dec 20 14:57:53 2018
     268! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    271269! Equation file        : chem_gasphase_mod.kpp
    272270! Output root filename : chem_gasphase_mod
     
    317315!
    318316! File                 : chem_gasphase_mod_Monitor.f90
    319 ! Time                 : Fri Dec  7 12:47:15 2018
    320 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     317! Time                 : Thu Dec 20 14:57:53 2018
     318! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    321319! Equation file        : chem_gasphase_mod.kpp
    322320! Output root filename : chem_gasphase_mod
     
    328326
    329327
    330   CHARACTER(len=15), PARAMETER, DIMENSION(12):: spc_names =  (/ &
     328  CHARACTER(len=15), PARAMETER, DIMENSION(11):: spc_names =  (/ &
    331329     'PM10           ','HNO3           ','RCHO           ',&
    332330     'RH             ','HO2            ','O3             ',&
    333331     'OH             ','RO2            ','NO             ',&
    334      'NO2            ','H2O            ','O2             ' /)
     332     'NO2            ','H2O            ' /)
    335333
    336334  CHARACTER(len=100), PARAMETER, DIMENSION(8):: eqn_names =  (/ &
    337335     '     NO2 --> O3 + NO                                                                                ',&
    338      '      O3 --> 2 OH + O2                                                                              ',&
     336     'O3 + H2O --> 2 OH                                                                                   ',&
    339337     ' O3 + NO --> NO2                                                                                    ',&
    340338     ' RH + OH --> RO2 + H2O                                                                              ',&
     
    387385!
    388386! File                 : chem_gasphase_mod_Initialize.f90
    389 ! Time                 : Fri Dec  7 12:47:15 2018
    390 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     387! Time                 : Thu Dec 20 14:57:53 2018
     388! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    391389! Equation file        : chem_gasphase_mod.kpp
    392390! Output root filename : chem_gasphase_mod
     
    413411!
    414412! File                 : chem_gasphase_mod_Integrator.f90
    415 ! Time                 : Fri Dec  7 12:47:15 2018
    416 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     413! Time                 : Thu Dec 20 14:57:53 2018
     414! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    417415! Equation file        : chem_gasphase_mod.kpp
    418416! Output root filename : chem_gasphase_mod
     
    471469!
    472470! File                 : chem_gasphase_mod_LinearAlgebra.f90
    473 ! Time                 : Fri Dec  7 12:47:15 2018
    474 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     471! Time                 : Thu Dec 20 14:57:53 2018
     472! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    475473! Equation file        : chem_gasphase_mod.kpp
    476474! Output root filename : chem_gasphase_mod
     
    498496!
    499497! File                 : chem_gasphase_mod_Jacobian.f90
    500 ! Time                 : Fri Dec  7 12:47:15 2018
    501 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     498! Time                 : Thu Dec 20 14:57:53 2018
     499! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    502500! Equation file        : chem_gasphase_mod.kpp
    503501! Output root filename : chem_gasphase_mod
     
    525523!
    526524! File                 : chem_gasphase_mod_Function.f90
    527 ! Time                 : Fri Dec  7 12:47:15 2018
    528 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     525! Time                 : Thu Dec 20 14:57:53 2018
     526! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    529527! Equation file        : chem_gasphase_mod.kpp
    530528! Output root filename : chem_gasphase_mod
     
    554552!
    555553! File                 : chem_gasphase_mod_Rates.f90
    556 ! Time                 : Fri Dec  7 12:47:15 2018
    557 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     554! Time                 : Thu Dec 20 14:57:53 2018
     555! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    558556! Equation file        : chem_gasphase_mod.kpp
    559557! Output root filename : chem_gasphase_mod
     
    580578!
    581579! File                 : chem_gasphase_mod_Util.f90
    582 ! Time                 : Fri Dec  7 12:47:15 2018
    583 ! Working directory    : /home/forkel-r/palmstuff/work/trunk20181206/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
     580! Time                 : Thu Dec 20 14:57:53 2018
     581! Working directory    : /home/forkel-r/palmstuff/work/trunk20181220/UTIL/chemistry/gasphase_preproc/tmp_kpp4palm
    584582! Equation file        : chem_gasphase_mod.kpp
    585583! Output root filename : chem_gasphase_mod
     
    791789! Computation of equation rates
    792790  a(1) = rct(1) * v(10)
    793   a(2) = rct(2) * v(6)
     791  a(2) = rct(2) * v(6) * f(1)
    794792  a(3) = rct(3) * v(6) * v(9)
    795793  a(4) = rct(4) * v(4) * v(7)
     
    850848! Local variables
    851849! B - Temporary array
    852   REAL(kind=dp):: b(13)
     850  REAL(kind=dp):: b(14)
    853851
    854852! B(1) = dA(1)/dV(10)
    855853  b(1) = rct(1)
    856854! 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(10) = dA(6)/dV(9)
    873   b(10) = rct(6) * v(5)
    874 ! B(11) = dA(7)/dV(7)
    875   b(11) = rct(7) * v(10)
    876 ! B(12) = dA(7)/dV(10)
    877   b(12) = rct(7) * v(7)
    878 ! B(13) = dA(8)/dV(1)
    879   b(13) = 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)
    880878
    881879! Construct the Jacobian terms from B's
     
    885883  jvs(2) = 0
    886884! JVS(3) = Jac_FULL(2,7)
    887   jvs(3) = b(11)
     885  jvs(3) = b(12)
    888886! JVS(4) = Jac_FULL(2,10)
    889   jvs(4) = b(12)
     887  jvs(4) = b(13)
    890888! JVS(5) = Jac_FULL(3,3)
    891889  jvs(5) = 0
    892890! JVS(6) = Jac_FULL(3,8)
    893   jvs(6) = b(7)
     891  jvs(6) = b(8)
    894892! JVS(7) = Jac_FULL(3,9)
    895   jvs(7) = b(8)
     893  jvs(7) = b(9)
    896894! JVS(8) = Jac_FULL(4,4)
    897   jvs(8) = - b(5)
     895  jvs(8) = - b(6)
    898896! JVS(9) = Jac_FULL(4,7)
    899   jvs(9) = - b(6)
     897  jvs(9) = - b(7)
    900898! JVS(10) = Jac_FULL(5,5)
    901   jvs(10) = - b(9)
     899  jvs(10) = - b(10)
    902900! JVS(11) = Jac_FULL(5,8)
    903   jvs(11) = b(7)
     901  jvs(11) = b(8)
    904902! JVS(12) = Jac_FULL(5,9)
    905   jvs(12) = b(8) - b(10)
     903  jvs(12) = b(9) - b(11)
    906904! JVS(13) = Jac_FULL(6,6)
    907   jvs(13) = - b(2) - b(3)
     905  jvs(13) = - b(2) - b(4)
    908906! JVS(14) = Jac_FULL(6,9)
    909   jvs(14) = - b(4)
     907  jvs(14) = - b(5)
    910908! JVS(15) = Jac_FULL(6,10)
    911909  jvs(15) = b(1)
    912910! JVS(16) = Jac_FULL(7,4)
    913   jvs(16) = - b(5)
     911  jvs(16) = - b(6)
    914912! JVS(17) = Jac_FULL(7,5)
    915   jvs(17) = b(9)
     913  jvs(17) = b(10)
    916914! JVS(18) = Jac_FULL(7,6)
    917915  jvs(18) = 2* b(2)
    918916! JVS(19) = Jac_FULL(7,7)
    919   jvs(19) = - b(6) - b(11)
     917  jvs(19) = - b(7) - b(12)
    920918! JVS(20) = Jac_FULL(7,8)
    921919  jvs(20) = 0
    922920! JVS(21) = Jac_FULL(7,9)
    923   jvs(21) = b(10)
     921  jvs(21) = b(11)
    924922! JVS(22) = Jac_FULL(7,10)
    925   jvs(22) = - b(12)
     923  jvs(22) = - b(13)
    926924! JVS(23) = Jac_FULL(8,4)
    927   jvs(23) = b(5)
     925  jvs(23) = b(6)
    928926! JVS(24) = Jac_FULL(8,7)
    929   jvs(24) = b(6)
     927  jvs(24) = b(7)
    930928! JVS(25) = Jac_FULL(8,8)
    931   jvs(25) = - b(7)
     929  jvs(25) = - b(8)
    932930! JVS(26) = Jac_FULL(8,9)
    933   jvs(26) = - b(8)
     931  jvs(26) = - b(9)
    934932! JVS(27) = Jac_FULL(8,10)
    935933  jvs(27) = 0
    936934! JVS(28) = Jac_FULL(9,5)
    937   jvs(28) = - b(9)
     935  jvs(28) = - b(10)
    938936! JVS(29) = Jac_FULL(9,6)
    939   jvs(29) = - b(3)
     937  jvs(29) = - b(4)
    940938! JVS(30) = Jac_FULL(9,8)
    941   jvs(30) = - b(7)
     939  jvs(30) = - b(8)
    942940! JVS(31) = Jac_FULL(9,9)
    943   jvs(31) = - b(4) - b(8) - b(10)
     941  jvs(31) = - b(5) - b(9) - b(11)
    944942! JVS(32) = Jac_FULL(9,10)
    945943  jvs(32) = b(1)
    946944! JVS(33) = Jac_FULL(10,5)
    947   jvs(33) = b(9)
     945  jvs(33) = b(10)
    948946! JVS(34) = Jac_FULL(10,6)
    949   jvs(34) = b(3)
     947  jvs(34) = b(4)
    950948! JVS(35) = Jac_FULL(10,7)
    951   jvs(35) = - b(11)
     949  jvs(35) = - b(12)
    952950! JVS(36) = Jac_FULL(10,8)
    953   jvs(36) = b(7)
     951  jvs(36) = b(8)
    954952! JVS(37) = Jac_FULL(10,9)
    955   jvs(37) = b(4) + b(8) + b(10)
     953  jvs(37) = b(5) + b(9) + b(11)
    956954! JVS(38) = Jac_FULL(10,10)
    957   jvs(38) = - b(1) - b(12)
     955  jvs(38) = - b(1) - b(13)
    958956     
    959957END SUBROUTINE jac_sp
     
    983981
    984982  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)))
    986984  rconst(3) = (arr2(1.8e-12_dp , 1370.0_dp , temp))
    987985  rconst(4) = (arr2(2.e-11_dp , 500.0_dp , temp))
  • palm/trunk/UTIL/chemistry/gasphase_preproc/mechanisms/def_simplep/simplep.eqn

    r3606 r3639  
    22Current revision
    33----------------
    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
    610}
    711#EQUATIONS
     
    1014
    1115  { 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));
    1317  { 3.}  NO + O3 = NO2 :                     arr2(1.8E-12_dp, 1370.0_dp, temp) ;
    1418  { 4.}  RH + OH = RO2 + H2O :               arr2(2.E-11_dp, 500.0_dp, temp) ;
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