| 1 | MODULE comchem_h |
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| 2 | |
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| 3 | ! ------------------------------------------------------------------------------------------------------------- |
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| 4 | ! Purpose : + Stores data relative to : * 1. Chemistry in the GCM |
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| 5 | ! ------- * 2. Upper chemistry pressure grid |
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| 6 | ! * 3. Coupling with C photochem. module ( cf calchim.F90) |
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| 7 | ! |
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| 8 | ! + Also contains a routine of initialization for chemistry in the GCM. |
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| 9 | ! |
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| 10 | ! + NB : For newstart there is a specific comchem_newstart_h module. |
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| 11 | ! |
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| 12 | ! Author : Jan Vatant d'Ollone (2017-18) |
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| 13 | ! ------ |
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| 14 | ! |
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| 15 | ! NB : A given order is assumed for the 44 chemistry tracers : |
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| 16 | ! H, H2, CH, CH2s, CH2, CH3, CH4, C2, C2H, C2H2, C2H3, C2H4, C2H5, |
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| 17 | ! C2H6, C3H3, C3H5, C3H6, C3H7, C4H, C4H3, C4H4, C4H2s, CH2CCH2, |
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| 18 | ! CH3CCH, C3H8, C4H2, C4H6, C4H10, AC6H6, C3H2, C4H5, AC6H5, N2, |
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| 19 | ! N4S, CN, HCN, H2CN, CHCN, CH2CN, CH3CN, C3N, HC3N, NCCN, C4N2 |
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| 20 | ! |
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| 21 | ! |
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| 22 | ! IMPORTANT : Advected chem. tracers are in MASS fraction but upper fields ykim_up are in MOLAR fraction ! |
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| 23 | ! |
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| 24 | ! ------------------------------------------------------------------------------------------------------------- |
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| 25 | |
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| 26 | IMPLICIT NONE |
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| 27 | |
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| 28 | ! ~~~~~~~~~~~~~~~~~~~~~~~~ |
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| 29 | ! 1. Chemistry in the GCM |
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| 30 | ! ~~~~~~~~~~~~~~~~~~~~~~~~ |
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| 31 | |
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| 32 | !! Hard-coded number of chemical species for Titan chemistry |
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| 33 | INTEGER, PARAMETER :: nkim = 43 |
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| 34 | |
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| 35 | !! Hard-coded chemical species for Titan chemistry |
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| 36 | CHARACTER(len=10), DIMENSION(nkim), PARAMETER :: cnames = & |
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| 37 | (/"H ", "H2 ", "CH ", "CH2s ", "CH2 ", "CH3 ", & |
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| 38 | "CH4 ", "C2 ", "C2H ", "C2H2 ", "C2H3 ", "C2H4 ", & |
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| 39 | "C2H5 ", "C2H6 ", "C3H3 ", "C3H5 ", "C3H6 ", "C3H7 ", & |
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| 40 | "C4H ", "C4H3 ", "C4H4 ", "CH2CCH2 ", "CH3CCH ", "C3H8 ", & |
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| 41 | "C4H2 ", "C4H6 ", "C4H10 ", "AC6H6 ", "C3H2 ", "C4H5 ", & |
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| 42 | "AC6H5 ", "N2 ", "N4S ", "CN ", "HCN ", "H2CN ", & |
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| 43 | "CHCN ", "CH2CN ", "CH3CN ", "C3N ", "HC3N ", "NCCN ", & |
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| 44 | "C4N2 "/) |
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| 45 | !! Hard-coded chemical species for Titan chemistry + "HV" specie for the photochem module. |
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| 46 | CHARACTER(len=10), DIMENSION(nkim+1) :: nomqy_c ! Initialized in calchim with null terminator |
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| 47 | !! Hard-coded chemical species molar mass (g.mol-1), shares the same indexing than cnames. |
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| 48 | REAL, DIMENSION(nkim), PARAMETER :: cmmol = (/ & |
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| 49 | 1.01 , 2.0158, 13.02, 14.03, 14.03, 15.03, 16.04 , 24.02, 25.03, 26.04 , 27.05 , & |
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| 50 | 28.05 , 29.06 , 30.07, 39.06, 41.07, 42.08, 43.09 , 49.05, 51.07, 52.08 , 40.07 , & |
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| 51 | 40.07 , 44.11, 50.06, 54.09, 58.13, 78.1136, 38.05, 53.07, 77.1136, 28.0134, 14.01 , & |
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| 52 | 26.02 , 27.04, 28.05, 39.05, 40.04, 41.05 , 50.04, 51.05, 52.04 , 76.1 /) |
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| 53 | |
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| 54 | !! Hard-coded molar fraction of surface methane |
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| 55 | REAL, PARAMETER :: botCH4 = 0.0565 ! From Niemann et al. 2010 - Huygens GCMS measurements |
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| 56 | |
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| 57 | |
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| 58 | |
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| 59 | ! ~~~~~~~~~~~~~~~~~~~~~~~~~~ |
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| 60 | ! 2. Upper chemistry grid |
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| 61 | ! ~~~~~~~~~~~~~~~~~~~~~~~~~~ |
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| 62 | |
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| 63 | INTEGER, SAVE :: nlaykim_up ! Number of upper atm. layers for chemistry from GCM top to 4.5E-5 Pa (1300km) |
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| 64 | INTEGER, SAVE :: nlaykim_tot ! Number of total layers for chemistry from surface to 4.5E-5 Pa (1300km) |
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| 65 | !$OMP THREADPRIVATE(nlaykim_up,nlaykim_tot) |
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| 66 | |
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| 67 | ! NB : For the startfile we use nlaykim_up grid (upper atm) and for outputs we use nlaykim_tot grid (all layers) |
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| 68 | |
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| 69 | REAL*8, PARAMETER :: grkim_dz = 10.0 ! Vertical discretization of the upper chemistry grid (km) |
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| 70 | |
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| 71 | REAL,SAVE,ALLOCATABLE,DIMENSION(:) :: preskim ! Pressure (Pa) of upper chemistry (mid)-layers |
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| 72 | REAL,SAVE,ALLOCATABLE,DIMENSION(:,:) :: zlaykim ! Pseudo-altitude (km) of upper chemistry (mid)-layers |
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| 73 | REAL,SAVE,ALLOCATABLE,DIMENSION(:,:,:) :: ykim_up ! Upper chemistry fields (mol/mol) |
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| 74 | |
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| 75 | ! These "_tot" fields are for output only |
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| 76 | REAL,SAVE,ALLOCATABLE,DIMENSION(:) :: preskim_tot ! Pressure (Pa) of total chemistry (mid)-layers |
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| 77 | REAL,SAVE,ALLOCATABLE,DIMENSION(:,:) :: zlaykim_tot ! Pseudo-altitude (km) of total chemistry (mid)-layers |
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| 78 | REAL,SAVE,ALLOCATABLE,DIMENSION(:,:,:) :: ykim_tot ! Total chemistry fields (mol/mol) |
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| 79 | |
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| 80 | !$OMP THREADPRIVATE(preskim,zlaykim,ykim_up) |
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| 81 | !$OMP THREADPRIVATE(preskim_tot,zlaykim_tot,ykim_tot) |
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| 82 | |
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| 83 | ! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ |
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| 84 | ! 3. Interface with photochemical module (cf calchim.F90) |
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| 85 | ! ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ |
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| 86 | |
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| 87 | ! These 3 parameters as well as nkim above, MUST match titan.h in chimtitan !! |
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| 88 | INTEGER, PARAMETER :: nd_kim = 55 ! Number of photodissociations |
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| 89 | INTEGER, PARAMETER :: nr_kim = 330 ! Number of reactions in chemistry scheme |
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| 90 | INTEGER, PARAMETER :: nlrt_kim = 650 ! For the UV rad. transf., 650 levels of 2 km |
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| 91 | |
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| 92 | !! Hardcoded latitude discretisation for actinic fluxes - MUST be coherent with disso.c input files !! |
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| 93 | INTEGER, PARAMETER :: nlat_actfluxes = 49 |
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| 94 | REAL, DIMENSION(nlat_actfluxes), PARAMETER :: lat_actfluxes = (/ & |
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| 95 | 90.0 , 86.25, 82.5 , 78.75, 75.0 , 71.25, 67.5 , 63.75, 60.0 , 56.25, 52.5 , 48.75, & |
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| 96 | 45.0 , 41.25, 37.5 , 33.75, 30.0 , 26.25, 22.5 , 18.75, 15.0 , 11.25, 7.5 , 3.75, & |
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| 97 | 0.0 , -3.75, -7.5 , -11.25, -15.0 , -18.75, -22.5 , -26.25, -30.0 , -33.75, -37.5 , -41.25, & |
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| 98 | -45.0 , -48.75, -52.5 , -56.25, -60.0 , -63.75, -67.5 , -71.25, -75.0 , -78.75, -82.5 , -86.25, & |
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| 99 | -90.0 /) |
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| 100 | |
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| 101 | |
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| 102 | CONTAINS |
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| 103 | |
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| 104 | SUBROUTINE ini_comchem_h(ngrid) |
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| 105 | |
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| 106 | IMPLICIT NONE |
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| 107 | |
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| 108 | include "dimensions.h" |
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| 109 | |
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| 110 | INTEGER,INTENT(IN) :: ngrid ! number of atmospheric columns |
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| 111 | |
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| 112 | nlaykim_tot = nlaykim_up + llm |
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| 113 | |
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| 114 | IF (.NOT.allocated(preskim)) ALLOCATE(preskim(nlaykim_up)) |
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| 115 | IF (.NOT.allocated(zlaykim)) ALLOCATE(zlaykim(ngrid,nlaykim_up)) |
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| 116 | IF (.NOT.allocated(ykim_up)) ALLOCATE(ykim_up(nkim,ngrid,nlaykim_up)) |
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| 117 | |
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| 118 | IF (.NOT.allocated(preskim_tot)) ALLOCATE(preskim_tot(nlaykim_tot)) |
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| 119 | IF (.NOT.allocated(zlaykim_tot)) ALLOCATE(zlaykim_tot(ngrid,nlaykim_tot)) |
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| 120 | IF (.NOT.allocated(ykim_tot)) ALLOCATE(ykim_tot(nkim,ngrid,nlaykim_tot)) |
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| 121 | |
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| 122 | END SUBROUTINE ini_comchem_h |
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| 123 | |
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| 124 | |
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| 125 | END MODULE comchem_h |
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