| 1 | MODULE calchim_mod |
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| 2 | |
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| 3 | IMPLICIT NONE |
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| 4 | |
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| 5 | INTEGER, SAVE :: ichemistry ! compute chemistry every ichemistry physics step |
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| 6 | REAL,SAVE,ALLOCATABLE :: zdqchim(:,:,:) ! Tendancy on pq due to photochemistry |
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| 7 | REAL,SAVE,ALLOCATABLE :: zdqschim(:,:) ! Tendancy on qsurf due to photochemistry |
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| 8 | |
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| 9 | !$OMP THREADPRIVATE(ichemistry,zdqchim,zdqschim) |
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| 10 | |
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| 11 | CONTAINS |
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| 12 | |
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| 13 | subroutine calchim(ngrid,nlayer,nq, & |
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| 14 | ptimestep,pplay,pplev,pt,pdt,dist_sol,mu0, & |
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| 15 | zzlev,zzlay,zday,pq,pdq,dqchim,dqschim,dqcloud, & |
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| 16 | dqscloud,tau,co2ice, & |
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| 17 | pu,pdu,pv,pdv,surfdust,surfice) |
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| 18 | |
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| 19 | use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, igcm_o2, & |
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| 20 | igcm_o3, igcm_h, igcm_h2, igcm_oh, igcm_ho2, & |
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| 21 | igcm_h2o2, igcm_ch4, igcm_n2, igcm_h2o_vap, & |
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| 22 | igcm_no, igcm_n, igcm_no2, igcm_n2d, & |
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| 23 | igcm_o2plus, igcm_co2plus, igcm_oplus, & |
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| 24 | igcm_coplus, igcm_cplus, igcm_nplus, & |
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| 25 | igcm_noplus, igcm_n2plus, igcm_hplus, & |
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| 26 | igcm_hco2plus, igcm_hcoplus, igcm_h2oplus, & |
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| 27 | igcm_h3oplus, igcm_ohplus, igcm_elec, & |
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| 28 | igcm_hdo_vap, igcm_od, igcm_d, igcm_hd, & |
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| 29 | igcm_do2, igcm_hdo2, mmol |
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| 30 | |
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| 31 | use conc_mod, only: mmean ! mean molecular mass of the atmosphere |
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| 32 | use comcstfi_h, only: pi |
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| 33 | use chemthermos_mod, only: chemthermos |
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| 34 | use chemthermos_readini_mod, only: chemthermos_readini |
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| 35 | use photochemistry_mod, only: photochemistry |
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| 36 | use deposition_mod, only: deposition |
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| 37 | use perosat_mod, only: perosat |
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| 38 | use chemistrydata_mod, only: read_phototable |
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| 39 | use photolysis_mod, only: init_photolysis, nphot |
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| 40 | use iono_h, only: temp_elect |
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| 41 | use wstats_mod, only: wstats |
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| 42 | |
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| 43 | implicit none |
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| 44 | |
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| 45 | !======================================================================= |
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| 46 | ! |
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| 47 | ! subject: |
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| 48 | ! -------- |
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| 49 | ! |
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| 50 | ! Prepare the call for the photochemical module, and send back the |
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| 51 | ! tendencies from photochemistry in the chemical species mass mixing ratios |
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| 52 | ! |
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| 53 | ! Arguments: |
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| 54 | ! ---------- |
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| 55 | ! |
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| 56 | ! Input: |
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| 57 | ! |
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| 58 | ! ptimestep timestep (s) |
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| 59 | ! pplay(ngrid,nlayer) Pressure at the middle of the layers (Pa) |
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| 60 | ! pplev(ngrid,nlayer+1) Intermediate pressure levels (Pa) |
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| 61 | ! pt(ngrid,nlayer) Temperature (K) |
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| 62 | ! pdt(ngrid,nlayer) Temperature tendency (K) |
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| 63 | ! pu(ngrid,nlayer) u component of the wind (ms-1) |
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| 64 | ! pdu(ngrid,nlayer) u component tendency (K) |
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| 65 | ! pv(ngrid,nlayer) v component of the wind (ms-1) |
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| 66 | ! pdv(ngrid,nlayer) v component tendency (K) |
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| 67 | ! dist_sol distance of the sun (AU) |
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| 68 | ! mu0(ngrid) cos of solar zenith angle (=1 when sun at zenith) |
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| 69 | ! pq(ngrid,nlayer,nq) advected fields, ie chemical species here |
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| 70 | ! pdq(ngrid,nlayer,nq) previous tendencies on pq |
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| 71 | ! tau(ngrid) dust optical depth |
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| 72 | ! co2ice(ngrid) co2 ice surface layer (kg.m-2) |
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| 73 | ! surfdust(ngrid,nlayer) dust surface area (m2/m3) |
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| 74 | ! surfice(ngrid,nlayer) ice surface area (m2/m3) |
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| 75 | ! |
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| 76 | ! Output: |
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| 77 | ! |
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| 78 | ! dqchim(ngrid,nlayer,nq) tendencies on pq due to chemistry |
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| 79 | ! dqschim(ngrid,nq) tendencies on qsurf |
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| 80 | ! |
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| 81 | !======================================================================= |
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| 82 | |
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| 83 | include "callkeys.h" |
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| 84 | |
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| 85 | ! input: |
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| 86 | |
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| 87 | integer,intent(in) :: ngrid ! number of atmospheric columns |
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| 88 | integer,intent(in) :: nlayer ! number of atmospheric layers |
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| 89 | integer,intent(in) :: nq ! number of tracers |
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| 90 | real :: ptimestep |
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| 91 | real :: pplay(ngrid,nlayer) ! pressure at the middle of the layers |
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| 92 | real :: zzlay(ngrid,nlayer) ! pressure at the middle of the layers |
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| 93 | real :: pplev(ngrid,nlayer+1) ! intermediate pressure levels |
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| 94 | real :: zzlev(ngrid,nlayer+1) ! altitude at layer boundaries |
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| 95 | real :: pt(ngrid,nlayer) ! temperature |
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| 96 | real :: pdt(ngrid,nlayer) ! temperature tendency |
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| 97 | real :: pu(ngrid,nlayer) ! u component of the wind (m.s-1) |
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| 98 | real :: pdu(ngrid,nlayer) ! u component tendency |
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| 99 | real :: pv(ngrid,nlayer) ! v component of the wind (m.s-1) |
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| 100 | real :: pdv(ngrid,nlayer) ! v component tendency |
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| 101 | real :: dist_sol ! distance of the sun (AU) |
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| 102 | real :: mu0(ngrid) ! cos of solar zenith angle (=1 when sun at zenith) |
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| 103 | real :: pq(ngrid,nlayer,nq) ! tracers mass mixing ratio |
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| 104 | real :: pdq(ngrid,nlayer,nq) ! previous tendencies |
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| 105 | real :: zday ! date (time since Ls=0, in martian days) |
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| 106 | real :: tau(ngrid) ! dust optical depth |
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| 107 | real :: co2ice(ngrid) ! co2 ice surface layer (kg.m-2) |
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| 108 | real :: surfdust(ngrid,nlayer) ! dust surface area (m2/m3) |
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| 109 | real :: surfice(ngrid,nlayer) ! ice surface area (m2/m3) |
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| 110 | |
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| 111 | ! output: |
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| 112 | |
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| 113 | real :: dqchim(ngrid,nlayer,nq) ! tendencies on pq due to chemistry |
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| 114 | real :: dqschim(ngrid,nq) ! tendencies on qsurf |
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| 115 | real :: dqcloud(ngrid,nlayer,nq) ! tendencies on pq due to condensation |
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| 116 | real :: dqscloud(ngrid,nq) ! tendencies on qsurf |
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| 117 | |
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| 118 | ! local variables: |
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| 119 | |
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| 120 | integer,save :: nbq ! number of tracers used in the chemistry |
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| 121 | integer,allocatable,save :: niq(:) ! array storing the indexes of the tracers |
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| 122 | integer :: iloc(1) ! index of major species |
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| 123 | integer :: ig,l,i,iq,iqmax |
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| 124 | integer :: foundswitch, lswitch |
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| 125 | integer,save :: chemthermod |
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| 126 | |
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| 127 | !$OMP THREADPRIVATE(nbq,niq,chemthermod) |
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| 128 | |
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| 129 | integer,save :: i_co2 = 0 |
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| 130 | integer,save :: i_co = 0 |
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| 131 | integer,save :: i_o = 0 |
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| 132 | integer,save :: i_o1d = 0 |
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| 133 | integer,save :: i_o2 = 0 |
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| 134 | integer,save :: i_o3 = 0 |
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| 135 | integer,save :: i_h = 0 |
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| 136 | integer,save :: i_h2 = 0 |
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| 137 | integer,save :: i_oh = 0 |
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| 138 | integer,save :: i_ho2 = 0 |
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| 139 | integer,save :: i_h2o2 = 0 |
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| 140 | integer,save :: i_ch4 = 0 |
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| 141 | integer,save :: i_n2 = 0 |
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| 142 | integer,save :: i_h2o = 0 |
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| 143 | integer,save :: i_n = 0 |
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| 144 | integer,save :: i_no = 0 |
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| 145 | integer,save :: i_no2 = 0 |
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| 146 | integer,save :: i_n2d = 0 |
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| 147 | integer,save :: i_co2plus=0 |
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| 148 | integer,save :: i_oplus=0 |
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| 149 | integer,save :: i_o2plus=0 |
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| 150 | integer,save :: i_coplus=0 |
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| 151 | integer,save :: i_cplus=0 |
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| 152 | integer,save :: i_nplus=0 |
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| 153 | integer,save :: i_noplus=0 |
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| 154 | integer,save :: i_n2plus=0 |
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| 155 | integer,save :: i_hplus=0 |
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| 156 | integer,save :: i_hco2plus=0 |
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| 157 | integer,save :: i_hcoplus=0 |
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| 158 | integer,save :: i_h2oplus=0 |
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| 159 | integer,save :: i_h3oplus=0 |
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| 160 | integer,save :: i_ohplus=0 |
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| 161 | integer,save :: i_elec=0 |
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| 162 | integer,save :: i_hdo=0 |
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| 163 | integer,save :: i_od=0 |
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| 164 | integer,save :: i_d=0 |
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| 165 | integer,save :: i_hd=0 |
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| 166 | integer,save :: i_do2=0 |
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| 167 | integer,save :: i_hdo2=0 |
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| 168 | |
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| 169 | !$OMP THREADPRIVATE(i_co2,i_co,i_o,i_o1d,i_o2,i_o3,i_h,i_h2,i_oh,i_ho2,i_h2o2,i_ch4) |
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| 170 | !$OMP THREADPRIVATE(i_n2,i_h2o,i_n,i_no,i_no2,i_n2d,i_co2plus,i_oplus,i_o2plus,i_coplus,i_cplus,i_nplus) |
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| 171 | !$OMP THREADPRIVATE(i_noplus,i_n2plus,i_hplus,i_hco2plus,i_hcoplus,i_h2oplus,i_h3oplus,i_ohplus,i_elec,i_hdo,i_od,i_d,i_hd,i_do2,i_hdo2) |
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| 172 | |
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| 173 | integer :: ig_vl1 |
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| 174 | |
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| 175 | integer :: nb_reaction_3_max ! number of quadratic reactions |
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| 176 | integer :: nb_reaction_4_max ! number of bimolecular reactions |
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| 177 | integer :: nquench ! number of quenching + heterogeneous reactions |
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| 178 | integer :: nphotion ! number of photoionizations |
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| 179 | integer :: nb_reaction_4_ion ! quadratic reactions for ionosphere |
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| 180 | integer :: nb_reaction_4_deut ! quadratic reactions for deuterium chem |
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| 181 | integer :: nb_phot_max ! total number of photolysis+photoionizations+quenching reactions |
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| 182 | |
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| 183 | |
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| 184 | real :: latvl1, lonvl1 |
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| 185 | real :: zq(ngrid,nlayer,nq) ! pq+pdq*ptimestep before chemistry |
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| 186 | ! new mole fraction after |
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| 187 | real :: zt(ngrid,nlayer) ! temperature |
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| 188 | real :: zu(ngrid,nlayer) ! u component of the wind |
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| 189 | real :: zv(ngrid,nlayer) ! v component of the wind |
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| 190 | real :: taucol ! dust optical depth at the surface |
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| 191 | real :: kb ! boltzmann constant |
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| 192 | |
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| 193 | logical, save :: firstcall = .true. |
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| 194 | logical, save :: depos ! switch for dry deposition |
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| 195 | logical, save :: ionchem ! switch for ionospheric chemistry |
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| 196 | logical, save :: deutchem ! switch for deuterium chemistry |
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| 197 | logical, save :: jonline ! switch for online photodissociation rates or lookup table |
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| 198 | logical, save :: unichim ! only one unified chemical scheme at all |
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| 199 | ! layers (default), or upper atmospheric |
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| 200 | ! scheme in the thermosphere |
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| 201 | |
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| 202 | !$OMP THREADPRIVATE(firstcall,depos,ionchem,deutchem,jonline,unichim) |
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| 203 | |
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| 204 | ! for each column of atmosphere: |
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| 205 | |
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| 206 | real :: zpress(nlayer) ! Pressure (mbar) |
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| 207 | real :: zdens(nlayer) ! Density (cm-3) |
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| 208 | real :: ztemp(nlayer) ! Temperature (K) |
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| 209 | real :: ztelec(nlayer) ! Electronic temperature (K) |
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| 210 | real :: zlocal(nlayer) ! Altitude (km) |
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| 211 | real :: zycol(nlayer,nq) ! Composition (mole fractions) |
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| 212 | real :: zmmean(nlayer) ! Mean molecular mass (g.mole-1) |
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| 213 | real :: szacol ! Solar zenith angle |
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| 214 | real :: surfice1d(nlayer) ! Ice surface area (cm2/cm3) |
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| 215 | real :: surfdust1d(nlayer) ! Dust surface area (cm2/cm3) |
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| 216 | real :: jo3(nlayer) ! Photodissociation rate O3->O1D (s-1) |
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| 217 | real :: jh2o(nlayer) ! Photodissociation rate H2O->H+OH (s-1) |
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| 218 | real :: em_no(nlayer) ! NO nightglow emission rate |
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| 219 | real :: em_o2(nlayer) ! O2 nightglow emission rate |
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| 220 | |
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| 221 | integer :: iter(nlayer) ! Number of chemical iterations |
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| 222 | ! within one physical timestep |
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| 223 | |
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| 224 | ! for output: |
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| 225 | |
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| 226 | logical,save :: output ! to issue calls to writediagfi and stats |
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| 227 | real :: jo3_3d(ngrid,nlayer) ! Photodissociation rate O3->O1D (s-1) |
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| 228 | real :: jh2o_3d(ngrid,nlayer) ! Photodissociation rate H2O->H+OH (s-1) |
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| 229 | real :: emission_no(ngrid,nlayer) !NO emission rate |
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| 230 | real :: emission_o2(ngrid,nlayer) !O2 emission rate |
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| 231 | real :: iter_3d(ngrid,nlayer) ! Number of chemical iterations |
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| 232 | ! within one physical timestep |
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| 233 | |
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| 234 | !$OMP THREADPRIVATE(output) |
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| 235 | |
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| 236 | !======================================================================= |
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| 237 | ! initialization of the chemistry (first call only) |
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| 238 | !======================================================================= |
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| 239 | |
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| 240 | if (firstcall) then |
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| 241 | |
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| 242 | !======================================================================= |
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| 243 | ! main dashboard for the chemistry |
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| 244 | !======================================================================= |
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| 245 | |
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| 246 | unichim = .true. ! true : unified chemistry ! false : separate models in lower and upper atmosphere |
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| 247 | jonline = .true. ! true : on-line calculation of photodissociation rates ! false : lookup table |
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| 248 | ionchem = .false. ! switch for ionospheric chemistry |
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| 249 | deutchem= .false. ! switch for deuterium chemistry |
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| 250 | depos = .false. ! switch for dry deposition |
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| 251 | output = .true. ! true : triggers writing of specific outputs (photolysis rates, emission rates, etc) |
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| 252 | |
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| 253 | ! if (photochem) then |
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| 254 | ! if (jonline) then |
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| 255 | ! print*,'calchim: Read UV absorption cross-sections' |
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| 256 | ! call init_photolysis ! on-line photolysis |
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| 257 | ! else |
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| 258 | ! print*,'calchim: Read photolysis lookup table' |
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| 259 | ! call read_phototable ! off-line photolysis |
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| 260 | ! end if |
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| 261 | ! end if |
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| 262 | |
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| 263 | ! if(.not.unichim) then |
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| 264 | !Read reaction rates from external file if the upper atmospheric |
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| 265 | !chemistry is called |
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| 266 | ! call chemthermos_readini |
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| 267 | ! endif |
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| 268 | |
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| 269 | ! find index of chemical tracers to use |
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| 270 | allocate(niq(nq)) |
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| 271 | ! Listed here are all tracers that can go into photochemistry |
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| 272 | nbq = 0 ! to count number of tracers |
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| 273 | ! Species ALWAYS present if photochem=.T. |
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| 274 | i_co2 = igcm_co2 |
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| 275 | if (i_co2 == 0) then |
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| 276 | write(*,*) "calchim: Error; no CO2 tracer !!!" |
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| 277 | call abort_physic("calchim","missing co2 tracer",1) |
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| 278 | else |
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| 279 | nbq = nbq + 1 |
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| 280 | niq(nbq) = i_co2 |
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| 281 | end if |
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| 282 | i_co = igcm_co |
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| 283 | if (i_co == 0) then |
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| 284 | write(*,*) "calchim: Error; no CO tracer !!!" |
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| 285 | call abort_physic("calchim","missing co tracer",1) |
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| 286 | else |
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| 287 | nbq = nbq + 1 |
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| 288 | niq(nbq) = i_co |
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| 289 | end if |
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| 290 | i_o = igcm_o |
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| 291 | if (i_o == 0) then |
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| 292 | write(*,*) "calchim: Error; no O tracer !!!" |
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| 293 | call abort_physic("calchim","missing o tracer",1) |
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| 294 | else |
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| 295 | nbq = nbq + 1 |
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| 296 | niq(nbq) = i_o |
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| 297 | end if |
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| 298 | i_o1d = igcm_o1d |
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| 299 | if (i_o1d == 0) then |
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| 300 | write(*,*) "calchim: Error; no O1D tracer !!!" |
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| 301 | call abort_physic("calchim","missing o1d tracer",1) |
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| 302 | else |
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| 303 | nbq = nbq + 1 |
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| 304 | niq(nbq) = i_o1d |
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| 305 | end if |
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| 306 | i_o2 = igcm_o2 |
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| 307 | if (i_o2 == 0) then |
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| 308 | write(*,*) "calchim: Error; no O2 tracer !!!" |
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| 309 | call abort_physic("calchim","missing o2 tracer",1) |
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| 310 | else |
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| 311 | nbq = nbq + 1 |
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| 312 | niq(nbq) = i_o2 |
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| 313 | end if |
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| 314 | i_o3 = igcm_o3 |
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| 315 | if (i_o3 == 0) then |
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| 316 | write(*,*) "calchim: Error; no O3 tracer !!!" |
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| 317 | call abort_physic("calchim","missing o3 tracer",1) |
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| 318 | else |
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| 319 | nbq = nbq + 1 |
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| 320 | niq(nbq) = i_o3 |
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| 321 | end if |
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| 322 | i_h = igcm_h |
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| 323 | if (i_h == 0) then |
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| 324 | write(*,*) "calchim: Error; no H tracer !!!" |
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| 325 | call abort_physic("calchim","missing h tracer",1) |
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| 326 | else |
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| 327 | nbq = nbq + 1 |
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| 328 | niq(nbq) = i_h |
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| 329 | end if |
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| 330 | i_h2 = igcm_h2 |
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| 331 | if (i_h2 == 0) then |
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| 332 | write(*,*) "calchim: Error; no H2 tracer !!!" |
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| 333 | call abort_physic("calchim","missing h2 tracer",1) |
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| 334 | else |
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| 335 | nbq = nbq + 1 |
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| 336 | niq(nbq) = i_h2 |
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| 337 | end if |
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| 338 | i_oh = igcm_oh |
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| 339 | if (i_oh == 0) then |
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| 340 | write(*,*) "calchim: Error; no OH tracer !!!" |
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| 341 | call abort_physic("calchim","missing oh tracer",1) |
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| 342 | else |
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| 343 | nbq = nbq + 1 |
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| 344 | niq(nbq) = i_oh |
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| 345 | end if |
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| 346 | i_ho2 = igcm_ho2 |
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| 347 | if (i_ho2 == 0) then |
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| 348 | write(*,*) "calchim: Error; no HO2 tracer !!!" |
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| 349 | call abort_physic("calchim","missing ho2 tracer",1) |
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| 350 | else |
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| 351 | nbq = nbq + 1 |
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| 352 | niq(nbq) = i_ho2 |
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| 353 | end if |
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| 354 | i_h2o2 = igcm_h2o2 |
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| 355 | if (i_h2o2 == 0) then |
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| 356 | write(*,*) "calchim: Error; no H2O2 tracer !!!" |
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| 357 | call abort_physic("calchim","missing h2o2 tracer",1) |
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| 358 | else |
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| 359 | nbq = nbq + 1 |
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| 360 | niq(nbq) = i_h2o2 |
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| 361 | end if |
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| 362 | i_ch4 = igcm_ch4 |
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| 363 | if (i_ch4 == 0) then |
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| 364 | write(*,*) "calchim: Error; no CH4 tracer !!!" |
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| 365 | write(*,*) "CH4 will be ignored in the chemistry" |
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| 366 | else |
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| 367 | nbq = nbq + 1 |
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| 368 | niq(nbq) = i_ch4 |
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| 369 | end if |
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| 370 | i_n2 = igcm_n2 |
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| 371 | if (i_n2 == 0) then |
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| 372 | write(*,*) "calchim: Error; no N2 tracer !!!" |
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| 373 | call abort_physic("calchim","missing n2 tracer",1) |
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| 374 | else |
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| 375 | nbq = nbq + 1 |
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| 376 | niq(nbq) = i_n2 |
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| 377 | end if |
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| 378 | i_n = igcm_n |
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| 379 | if (i_n == 0) then |
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| 380 | if (photochem) then |
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| 381 | write(*,*) "calchim: Error; no N tracer !!!" |
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| 382 | call abort_physic("calchim","missing n tracer",1) |
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| 383 | end if |
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| 384 | else |
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| 385 | nbq = nbq + 1 |
|---|
| 386 | niq(nbq) = i_n |
|---|
| 387 | end if |
|---|
| 388 | i_n2d = igcm_n2d |
|---|
| 389 | if (i_n2d == 0) then |
|---|
| 390 | if (photochem) then |
|---|
| 391 | write(*,*) "calchim: Error; no N2D tracer !!!" |
|---|
| 392 | call abort_physic("calchim","missing n2d tracer",1) |
|---|
| 393 | end if |
|---|
| 394 | else |
|---|
| 395 | nbq = nbq + 1 |
|---|
| 396 | niq(nbq) = i_n2d |
|---|
| 397 | end if |
|---|
| 398 | i_no = igcm_no |
|---|
| 399 | if (i_no == 0) then |
|---|
| 400 | if (photochem) then |
|---|
| 401 | write(*,*) "calchim: Error; no NO tracer !!!" |
|---|
| 402 | call abort_physic("calchim","missing no tracer",1) |
|---|
| 403 | end if |
|---|
| 404 | else |
|---|
| 405 | nbq = nbq + 1 |
|---|
| 406 | niq(nbq) = i_no |
|---|
| 407 | end if |
|---|
| 408 | i_no2 = igcm_no2 |
|---|
| 409 | if (i_no2 == 0) then |
|---|
| 410 | if (photochem) then |
|---|
| 411 | write(*,*) "calchim: Error; no NO2 tracer !!!" |
|---|
| 412 | call abort_physic("calchim","missing no2 tracer",1) |
|---|
| 413 | end if |
|---|
| 414 | else |
|---|
| 415 | nbq = nbq + 1 |
|---|
| 416 | niq(nbq) = i_no2 |
|---|
| 417 | end if |
|---|
| 418 | i_h2o = igcm_h2o_vap |
|---|
| 419 | if (i_h2o == 0) then |
|---|
| 420 | write(*,*) "calchim: Error; no water vapor tracer !!!" |
|---|
| 421 | call abort_physic("calchim","missing h2o_vap tracer",1) |
|---|
| 422 | else |
|---|
| 423 | nbq = nbq + 1 |
|---|
| 424 | niq(nbq) = i_h2o |
|---|
| 425 | end if |
|---|
| 426 | i_hdo=igcm_hdo_vap |
|---|
| 427 | if (i_hdo == 0) then |
|---|
| 428 | write(*,*) "calchim: no HDO tracer !!!" |
|---|
| 429 | ! call abort_physic("calchim","missing hdo_vap tracer",1) |
|---|
| 430 | write(*,*) "No deuterium chemistry considered" |
|---|
| 431 | else |
|---|
| 432 | nbq = nbq + 1 |
|---|
| 433 | niq(nbq) = i_hdo |
|---|
| 434 | deutchem = .true. |
|---|
| 435 | write(*,*) "calchim: HDO tracer found in traceur.def" |
|---|
| 436 | write(*,*) "Deuterium chemistry included" |
|---|
| 437 | end if |
|---|
| 438 | i_od=igcm_od |
|---|
| 439 | if(deutchem) then |
|---|
| 440 | if (i_od == 0) then |
|---|
| 441 | write(*,*) "calchim: Error, no OD tracer !!!" |
|---|
| 442 | write(*,*) "OD is needed if HDO is in traceur.def" |
|---|
| 443 | call abort_physic("calchim","missing od tracer",1) |
|---|
| 444 | else |
|---|
| 445 | nbq = nbq + 1 |
|---|
| 446 | niq(nbq) = i_od |
|---|
| 447 | end if |
|---|
| 448 | else |
|---|
| 449 | if (i_oplus /= 0) then |
|---|
| 450 | write(*,*) "calchim: Error: OD is present, but HDO is not!!!" |
|---|
| 451 | write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" |
|---|
| 452 | call abort_physic("calchim","missing hdo tracer",1) |
|---|
| 453 | endif |
|---|
| 454 | endif |
|---|
| 455 | i_d=igcm_d |
|---|
| 456 | if(deutchem) then |
|---|
| 457 | if (i_d == 0) then |
|---|
| 458 | write(*,*) "calchim: Error, no D tracer !!!" |
|---|
| 459 | write(*,*) "D is needed if HDO is in traceur.def" |
|---|
| 460 | call abort_physic("calchim","missing d tracer",1) |
|---|
| 461 | else |
|---|
| 462 | nbq = nbq + 1 |
|---|
| 463 | niq(nbq) = i_d |
|---|
| 464 | end if |
|---|
| 465 | else |
|---|
| 466 | if (i_d /= 0) then |
|---|
| 467 | write(*,*) "calchim: Error: D is present, but HDO is not!!!" |
|---|
| 468 | write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" |
|---|
| 469 | call abort_physic("calchim","missing hdo tracer",1) |
|---|
| 470 | endif |
|---|
| 471 | endif |
|---|
| 472 | i_hd=igcm_hd |
|---|
| 473 | if(deutchem) then |
|---|
| 474 | if (i_hd == 0) then |
|---|
| 475 | write(*,*) "calchim: Error, no HD tracer !!!" |
|---|
| 476 | write(*,*) "HD is needed if HDO is in traceur.def" |
|---|
| 477 | call abort_physic("calchim","missing hd tracer",1) |
|---|
| 478 | else |
|---|
| 479 | nbq = nbq + 1 |
|---|
| 480 | niq(nbq) = i_hd |
|---|
| 481 | end if |
|---|
| 482 | else |
|---|
| 483 | if (i_hd /= 0) then |
|---|
| 484 | write(*,*) "calchim: Error: HD is present, but HDO is not!!!" |
|---|
| 485 | write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" |
|---|
| 486 | call abort_physic("calchim","missing hd tracer",1) |
|---|
| 487 | endif |
|---|
| 488 | endif |
|---|
| 489 | i_do2=igcm_do2 |
|---|
| 490 | if(deutchem) then |
|---|
| 491 | if (i_do2 == 0) then |
|---|
| 492 | write(*,*) "calchim: Error, no DO2 tracer !!!" |
|---|
| 493 | write(*,*) "DO2 is needed if HDO is in traceur.def" |
|---|
| 494 | call abort_physic("calchim","missing do2 tracer",1) |
|---|
| 495 | else |
|---|
| 496 | nbq = nbq + 1 |
|---|
| 497 | niq(nbq) = i_do2 |
|---|
| 498 | end if |
|---|
| 499 | else |
|---|
| 500 | if (i_do2 /= 0) then |
|---|
| 501 | write(*,*) "calchim: Error: DO2 is present, but HDO is not!!!" |
|---|
| 502 | write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" |
|---|
| 503 | call abort_physic("calchim","missing do2 tracer",1) |
|---|
| 504 | endif |
|---|
| 505 | endif |
|---|
| 506 | i_hdo2=igcm_hdo2 |
|---|
| 507 | if(deutchem) then |
|---|
| 508 | if (i_hdo2 == 0) then |
|---|
| 509 | write(*,*) "calchim: Error, no HDO2 tracer !!!" |
|---|
| 510 | write(*,*) "HDO2 is needed if HDO is in traceur.def" |
|---|
| 511 | call abort_physic("calchim","missing hdo2 tracer",1) |
|---|
| 512 | else |
|---|
| 513 | nbq = nbq + 1 |
|---|
| 514 | niq(nbq) = i_hdo2 |
|---|
| 515 | end if |
|---|
| 516 | else |
|---|
| 517 | if (i_hdo2 /= 0) then |
|---|
| 518 | write(*,*) "calchim: Error: HDO2 is present, but HDO is not!!!" |
|---|
| 519 | write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" |
|---|
| 520 | call abort_physic("calchim","missing hdo2 tracer",1) |
|---|
| 521 | endif |
|---|
| 522 | endif |
|---|
| 523 | i_o2plus = igcm_o2plus |
|---|
| 524 | if (i_o2plus == 0) then |
|---|
| 525 | write(*,*) "calchim: no O2+ tracer " |
|---|
| 526 | write(*,*) "Only neutral chemistry" |
|---|
| 527 | else |
|---|
| 528 | nbq = nbq + 1 |
|---|
| 529 | niq(nbq) = i_o2plus |
|---|
| 530 | ionchem = .true. |
|---|
| 531 | write(*,*) "calchim: O2+ tracer found in traceur.def" |
|---|
| 532 | write(*,*) "Ion chemistry included" |
|---|
| 533 | end if |
|---|
| 534 | i_co2plus = igcm_co2plus |
|---|
| 535 | if(ionchem) then |
|---|
| 536 | if (i_co2plus == 0) then |
|---|
| 537 | write(*,*) "calchim: Error, no CO2+ tracer !!!" |
|---|
| 538 | write(*,*) "CO2+ is needed if O2+ is in traceur.def" |
|---|
| 539 | call abort_physic("calchim","missing co2plus tracer",1) |
|---|
| 540 | else |
|---|
| 541 | nbq = nbq + 1 |
|---|
| 542 | niq(nbq) = i_co2plus |
|---|
| 543 | end if |
|---|
| 544 | else |
|---|
| 545 | if (i_co2plus /= 0) then |
|---|
| 546 | write(*,*) "calchim: Error: CO2+ is present, but O2+ is not!!!" |
|---|
| 547 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 548 | call abort_physic("calchim","missing o2plus tracer",1) |
|---|
| 549 | endif |
|---|
| 550 | endif |
|---|
| 551 | i_oplus=igcm_oplus |
|---|
| 552 | if(ionchem) then |
|---|
| 553 | if (i_oplus == 0) then |
|---|
| 554 | write(*,*) "calchim: Error, no O+ tracer !!!" |
|---|
| 555 | write(*,*) "O+ is needed if O2+ is in traceur.def" |
|---|
| 556 | call abort_physic("calchim","missing oplus tracer",1) |
|---|
| 557 | else |
|---|
| 558 | nbq = nbq + 1 |
|---|
| 559 | niq(nbq) = i_oplus |
|---|
| 560 | end if |
|---|
| 561 | else |
|---|
| 562 | if (i_oplus /= 0) then |
|---|
| 563 | write(*,*) "calchim: Error: O+ is present, but O2+ is not!!!" |
|---|
| 564 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 565 | call abort_physic("calchim","missing o2plus tracer",1) |
|---|
| 566 | endif |
|---|
| 567 | endif |
|---|
| 568 | i_noplus=igcm_noplus |
|---|
| 569 | if(ionchem) then |
|---|
| 570 | if (i_noplus == 0) then |
|---|
| 571 | write(*,*) "calchim: Error, no NO+ tracer !!!" |
|---|
| 572 | write(*,*) "NO+ is needed if O2+ is in traceur.def" |
|---|
| 573 | call abort_physic("calchim","missing noplus tracer",1) |
|---|
| 574 | else |
|---|
| 575 | nbq = nbq + 1 |
|---|
| 576 | niq(nbq) = i_noplus |
|---|
| 577 | end if |
|---|
| 578 | else |
|---|
| 579 | if (i_noplus /= 0) then |
|---|
| 580 | write(*,*) "calchim: Error: NO+ is present, but O2+ is not!!!" |
|---|
| 581 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 582 | endif |
|---|
| 583 | endif |
|---|
| 584 | i_coplus=igcm_coplus |
|---|
| 585 | if(ionchem) then |
|---|
| 586 | if (i_coplus == 0) then |
|---|
| 587 | write(*,*) "calchim: Error, no CO+ tracer !!!" |
|---|
| 588 | write(*,*) "CO+ is needed if O2+ is in traceur.def" |
|---|
| 589 | call abort_physic("calchim","missing coplus tracer",1) |
|---|
| 590 | else |
|---|
| 591 | nbq = nbq + 1 |
|---|
| 592 | niq(nbq) = i_coplus |
|---|
| 593 | end if |
|---|
| 594 | else |
|---|
| 595 | if (i_coplus /= 0) then |
|---|
| 596 | write(*,*) "calchim: Error: CO+ is present, but O2+ is not!!!" |
|---|
| 597 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 598 | endif |
|---|
| 599 | endif |
|---|
| 600 | i_cplus=igcm_cplus |
|---|
| 601 | if(ionchem) then |
|---|
| 602 | if (i_cplus == 0) then |
|---|
| 603 | write(*,*) "calchim: Error, no C+ tracer !!!" |
|---|
| 604 | write(*,*) "C+ is needed if O2+ is in traceur.def" |
|---|
| 605 | call abort_physic("calchim","missing cplus tracer",1) |
|---|
| 606 | else |
|---|
| 607 | nbq = nbq + 1 |
|---|
| 608 | niq(nbq) = i_cplus |
|---|
| 609 | end if |
|---|
| 610 | else |
|---|
| 611 | if (i_cplus /= 0) then |
|---|
| 612 | write(*,*) "calchim: Error: C+ is present, but O2+ is not!!!" |
|---|
| 613 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 614 | endif |
|---|
| 615 | endif |
|---|
| 616 | i_n2plus=igcm_n2plus |
|---|
| 617 | if(ionchem) then |
|---|
| 618 | if (i_n2plus == 0) then |
|---|
| 619 | write(*,*) "calchim: Error, no N2+ tracer !!!" |
|---|
| 620 | write(*,*) "N2+ is needed if O2+ is in traceur.def" |
|---|
| 621 | call abort_physic("calchim","missing n2plus tracer",1) |
|---|
| 622 | else |
|---|
| 623 | nbq = nbq + 1 |
|---|
| 624 | niq(nbq) = i_n2plus |
|---|
| 625 | end if |
|---|
| 626 | else |
|---|
| 627 | if (i_n2plus /= 0) then |
|---|
| 628 | write(*,*) "calchim: Error: N2+ is present, but O2+ is not!!!" |
|---|
| 629 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 630 | endif |
|---|
| 631 | endif |
|---|
| 632 | i_nplus=igcm_nplus |
|---|
| 633 | if(ionchem) then |
|---|
| 634 | if (i_nplus == 0) then |
|---|
| 635 | write(*,*) "calchim: Error, no N+ tracer !!!" |
|---|
| 636 | write(*,*) "N+ is needed if O2+ is in traceur.def" |
|---|
| 637 | call abort_physic("calchim","missing nplus tracer",1) |
|---|
| 638 | else |
|---|
| 639 | nbq = nbq + 1 |
|---|
| 640 | niq(nbq) = i_nplus |
|---|
| 641 | end if |
|---|
| 642 | else |
|---|
| 643 | if (i_nplus /= 0) then |
|---|
| 644 | write(*,*) "calchim: Error: N+ is present, but O2+ is not!!!" |
|---|
| 645 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 646 | endif |
|---|
| 647 | endif |
|---|
| 648 | i_hplus=igcm_hplus |
|---|
| 649 | if(ionchem) then |
|---|
| 650 | if (i_hplus == 0) then |
|---|
| 651 | write(*,*) "calchim: Error, no H+ tracer !!!" |
|---|
| 652 | write(*,*) "H+ is needed if O2+ is in traceur.def" |
|---|
| 653 | call abort_physic("calchim","missing hplus tracer",1) |
|---|
| 654 | else |
|---|
| 655 | nbq = nbq + 1 |
|---|
| 656 | niq(nbq) = i_hplus |
|---|
| 657 | end if |
|---|
| 658 | else |
|---|
| 659 | if (i_hplus /= 0) then |
|---|
| 660 | write(*,*) "calchim: Error: H+ is present, but O2+ is not!!!" |
|---|
| 661 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 662 | endif |
|---|
| 663 | endif |
|---|
| 664 | i_hco2plus=igcm_hco2plus |
|---|
| 665 | if(ionchem) then |
|---|
| 666 | if (i_hco2plus == 0) then |
|---|
| 667 | write(*,*) "calchim: Error, no HCO2+ tracer !!!" |
|---|
| 668 | write(*,*) "HCO2+ is needed if O2+ is in traceur.def" |
|---|
| 669 | call abort_physic("calchim","missing hco2plus tracer",1) |
|---|
| 670 | else |
|---|
| 671 | nbq = nbq + 1 |
|---|
| 672 | niq(nbq) = i_hco2plus |
|---|
| 673 | end if |
|---|
| 674 | else |
|---|
| 675 | if (i_hco2plus /= 0) then |
|---|
| 676 | write(*,*) "calchim: Error: HCO2+ is present, but O2+ is not!!!" |
|---|
| 677 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 678 | endif |
|---|
| 679 | endif |
|---|
| 680 | i_hcoplus=igcm_hcoplus |
|---|
| 681 | if(ionchem) then |
|---|
| 682 | if (i_hcoplus == 0) then |
|---|
| 683 | write(*,*) "calchim: Error, no HCO+ tracer !!!" |
|---|
| 684 | write(*,*) "HCO+ is needed if O2+ is in traceur.def" |
|---|
| 685 | call abort_physic("calchim","missing hcoplus tracer",1) |
|---|
| 686 | else |
|---|
| 687 | nbq = nbq + 1 |
|---|
| 688 | niq(nbq) = i_hcoplus |
|---|
| 689 | end if |
|---|
| 690 | else |
|---|
| 691 | if (i_hcoplus /= 0) then |
|---|
| 692 | write(*,*) "calchim: Error: HCO+ is present, but O2+ is not!!!" |
|---|
| 693 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 694 | endif |
|---|
| 695 | endif |
|---|
| 696 | i_h2oplus=igcm_h2oplus |
|---|
| 697 | if(ionchem) then |
|---|
| 698 | if (i_h2oplus == 0) then |
|---|
| 699 | write(*,*) "calchim: Error, no H2O+ tracer !!!" |
|---|
| 700 | write(*,*) "H2O+ is needed if O2+ is in traceur.def" |
|---|
| 701 | call abort_physic("calchim","missing h2oplus tracer",1) |
|---|
| 702 | else |
|---|
| 703 | nbq = nbq + 1 |
|---|
| 704 | niq(nbq) = i_h2oplus |
|---|
| 705 | end if |
|---|
| 706 | else |
|---|
| 707 | if (i_h2oplus /= 0) then |
|---|
| 708 | write(*,*) "calchim: Error: H2O+ is present, but O2+ is not!!!" |
|---|
| 709 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 710 | endif |
|---|
| 711 | endif |
|---|
| 712 | i_h3oplus=igcm_h3oplus |
|---|
| 713 | if(ionchem) then |
|---|
| 714 | if (i_h3oplus == 0) then |
|---|
| 715 | write(*,*) "calchim: Error, no H3O+ tracer !!!" |
|---|
| 716 | write(*,*) "H3O+ is needed if O2+ is in traceur.def" |
|---|
| 717 | call abort_physic("calchim","missing h3oplus tracer",1) |
|---|
| 718 | else |
|---|
| 719 | nbq = nbq + 1 |
|---|
| 720 | niq(nbq) = i_h3oplus |
|---|
| 721 | end if |
|---|
| 722 | else |
|---|
| 723 | if (i_h3oplus /= 0) then |
|---|
| 724 | write(*,*) "calchim: Error: H3O+ is present, but O2+ is not!!!" |
|---|
| 725 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 726 | endif |
|---|
| 727 | endif |
|---|
| 728 | i_ohplus=igcm_ohplus |
|---|
| 729 | if(ionchem) then |
|---|
| 730 | if (i_ohplus == 0) then |
|---|
| 731 | write(*,*) "calchim: Error, no OH+ tracer !!!" |
|---|
| 732 | write(*,*) "OH+ is needed if O2+ is in traceur.def" |
|---|
| 733 | call abort_physic("calchim","missing ohplus tracer",1) |
|---|
| 734 | else |
|---|
| 735 | nbq = nbq + 1 |
|---|
| 736 | niq(nbq) = i_ohplus |
|---|
| 737 | end if |
|---|
| 738 | else |
|---|
| 739 | if (i_ohplus /= 0) then |
|---|
| 740 | write(*,*) "calchim: Error: OH+ is present, but O2+ is not!!!" |
|---|
| 741 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 742 | endif |
|---|
| 743 | endif |
|---|
| 744 | i_elec = igcm_elec |
|---|
| 745 | if(ionchem) then |
|---|
| 746 | if (i_elec == 0) then |
|---|
| 747 | write(*,*) "calchim: Error, no e- tracer !!!" |
|---|
| 748 | write(*,*) "e- is needed if O2+ is in traceur.def" |
|---|
| 749 | call abort_physic("calchim","missing elec tracer",1) |
|---|
| 750 | else |
|---|
| 751 | nbq = nbq + 1 |
|---|
| 752 | niq(nbq) = i_elec |
|---|
| 753 | end if |
|---|
| 754 | else |
|---|
| 755 | if (i_elec /= 0) then |
|---|
| 756 | write(*,*) "calchim: Error: e- is present, but O2+ is not!!!" |
|---|
| 757 | write(*,*) "Both must be in traceur.def if ion chemistry wanted" |
|---|
| 758 | endif |
|---|
| 759 | endif |
|---|
| 760 | write(*,*) 'calchim: found nbq = ',nbq,' tracers' |
|---|
| 761 | |
|---|
| 762 | write(*,*) 'calchim: tracer indices=',niq(:) |
|---|
| 763 | |
|---|
| 764 | |
|---|
| 765 | if (photochem) then |
|---|
| 766 | if (jonline) then |
|---|
| 767 | print*,'calchim: Read UV absorption cross-sections' |
|---|
| 768 | !Add two photodissociations in deuterium chemistry included |
|---|
| 769 | if(deutchem) nphot = nphot + 2 |
|---|
| 770 | call init_photolysis ! on-line photolysis |
|---|
| 771 | else |
|---|
| 772 | print*,'calchim: Read photolysis lookup table' |
|---|
| 773 | call read_phototable ! off-line photolysis |
|---|
| 774 | end if |
|---|
| 775 | end if |
|---|
| 776 | |
|---|
| 777 | if(.not.unichim) then |
|---|
| 778 | !Read reaction rates from external file if the upper atmospheric |
|---|
| 779 | !chemistry is called |
|---|
| 780 | call chemthermos_readini |
|---|
| 781 | endif |
|---|
| 782 | |
|---|
| 783 | ! stop |
|---|
| 784 | firstcall = .false. |
|---|
| 785 | end if ! if (firstcall) |
|---|
| 786 | |
|---|
| 787 | ! Initializations |
|---|
| 788 | |
|---|
| 789 | zycol(:,:) = 0. |
|---|
| 790 | dqchim(:,:,:) = 0. |
|---|
| 791 | dqschim(:,:) = 0. |
|---|
| 792 | |
|---|
| 793 | kb = 1.3806e-23 |
|---|
| 794 | |
|---|
| 795 | ! latvl1= 22.27 |
|---|
| 796 | ! lonvl1= -47.94 |
|---|
| 797 | ! ig_vl1= 1+ int( (1.5-(latvl1-90.)*48./180.) -2 )*64. + & |
|---|
| 798 | ! int(1.5+(lonvl1+180)*64./360.) |
|---|
| 799 | |
|---|
| 800 | !======================================================================= |
|---|
| 801 | ! loop over grid |
|---|
| 802 | !======================================================================= |
|---|
| 803 | |
|---|
| 804 | do ig = 1,ngrid |
|---|
| 805 | |
|---|
| 806 | foundswitch = 0 |
|---|
| 807 | do l = 1,nlayer |
|---|
| 808 | do i = 1,nbq |
|---|
| 809 | iq = niq(i) ! get tracer index |
|---|
| 810 | zq(ig,l,iq) = pq(ig,l,iq) + pdq(ig,l,iq)*ptimestep |
|---|
| 811 | zycol(l,iq) = zq(ig,l,iq)*mmean(ig,l)/mmol(iq) |
|---|
| 812 | end do |
|---|
| 813 | zt(ig,l) = pt(ig,l) + pdt(ig,l)*ptimestep |
|---|
| 814 | zu(ig,l) = pu(ig,l) + pdu(ig,l)*ptimestep |
|---|
| 815 | zv(ig,l) = pv(ig,l) + pdv(ig,l)*ptimestep |
|---|
| 816 | zpress(l) = pplay(ig,l)/100. |
|---|
| 817 | ztemp(l) = zt(ig,l) |
|---|
| 818 | zdens(l) = zpress(l)/(kb*1.e4*ztemp(l)) |
|---|
| 819 | zlocal(l) = zzlay(ig,l)/1000. |
|---|
| 820 | zmmean(l) = mmean(ig,l) |
|---|
| 821 | ztelec(l) = temp_elect(zlocal(l),ztemp(l),1) |
|---|
| 822 | !Electronic temperature. Index 1 -> Viking; Index 2-> MAVEN |
|---|
| 823 | |
|---|
| 824 | ! surfdust1d and surfice1d: conversion from m2/m3 to cm2/cm3 |
|---|
| 825 | |
|---|
| 826 | surfdust1d(l) = surfdust(ig,l)*1.e-2 |
|---|
| 827 | surfice1d(l) = surfice(ig,l)*1.e-2 |
|---|
| 828 | |
|---|
| 829 | ! search for switch index between regions |
|---|
| 830 | |
|---|
| 831 | if (unichim) then |
|---|
| 832 | lswitch = nlayer + 1 |
|---|
| 833 | else |
|---|
| 834 | if (foundswitch == 0 .and. pplay(ig,l) < 10.) then |
|---|
| 835 | lswitch = l |
|---|
| 836 | foundswitch = 1 |
|---|
| 837 | end if |
|---|
| 838 | endif |
|---|
| 839 | end do ! of do l=1,nlayer |
|---|
| 840 | |
|---|
| 841 | szacol = acos(mu0(ig))*180./pi |
|---|
| 842 | taucol = tau(ig) |
|---|
| 843 | |
|---|
| 844 | !======================================================================= |
|---|
| 845 | ! call chemical subroutines |
|---|
| 846 | !======================================================================= |
|---|
| 847 | |
|---|
| 848 | if (photochem) then |
|---|
| 849 | ! set number of reactions, depending on ion chemistry or not |
|---|
| 850 | nb_reaction_4_ion = 64 |
|---|
| 851 | nb_reaction_4_deut = 35 |
|---|
| 852 | |
|---|
| 853 | !Default numbers if no ion and no deuterium chemistry included |
|---|
| 854 | |
|---|
| 855 | nb_reaction_4_max = 31 ! set number of bimolecular reactions |
|---|
| 856 | nb_reaction_3_max = 6 ! set number of quadratic reactions |
|---|
| 857 | nquench = 9 ! set number of quenching + heterogeneous |
|---|
| 858 | nphotion = 0 ! set number of photoionizations |
|---|
| 859 | |
|---|
| 860 | if (ionchem) then |
|---|
| 861 | nb_reaction_4_max = nb_reaction_4_max + nb_reaction_4_ion |
|---|
| 862 | nphotion = 18 ! set number of photoionizations |
|---|
| 863 | endif |
|---|
| 864 | if(deutchem) then |
|---|
| 865 | nb_reaction_4_max = nb_reaction_4_max + nb_reaction_4_deut |
|---|
| 866 | end if |
|---|
| 867 | |
|---|
| 868 | ! nb_phot_max is the total number of processes that are treated |
|---|
| 869 | ! numerically as a photolysis: |
|---|
| 870 | |
|---|
| 871 | nb_phot_max = nphot + nphotion + nquench |
|---|
| 872 | |
|---|
| 873 | ! call main photochemistry routine |
|---|
| 874 | |
|---|
| 875 | call photochemistry(nlayer,nq,nbq,ionchem,deutchem, & |
|---|
| 876 | nb_reaction_3_max,nb_reaction_4_max,nphot, & |
|---|
| 877 | nb_phot_max,nphotion, & |
|---|
| 878 | jonline,ig,lswitch,zycol,szacol,ptimestep, & |
|---|
| 879 | zpress,zlocal,ztemp,ztelec,zdens,zmmean, & |
|---|
| 880 | dist_sol,zday,surfdust1d,surfice1d, & |
|---|
| 881 | jo3,jh2o,em_no,em_o2,taucol,iter) |
|---|
| 882 | |
|---|
| 883 | ! ozone photolysis, for output |
|---|
| 884 | |
|---|
| 885 | do l = 1,nlayer |
|---|
| 886 | jo3_3d(ig,l) = jo3(l) |
|---|
| 887 | jh2o_3d(ig,l) = jh2o(l) |
|---|
| 888 | iter_3d(ig,l) = iter(l) |
|---|
| 889 | end do |
|---|
| 890 | |
|---|
| 891 | ! condensation of h2o2 |
|---|
| 892 | |
|---|
| 893 | call perosat(ngrid, nlayer, nq, & |
|---|
| 894 | ig,ptimestep,pplev,pplay, & |
|---|
| 895 | ztemp,zycol,dqcloud,dqscloud) |
|---|
| 896 | |
|---|
| 897 | ! case of separate photochemical model in the thermosphere |
|---|
| 898 | |
|---|
| 899 | if (.not.unichim) then |
|---|
| 900 | chemthermod = 3 !C/O/H/N/ions |
|---|
| 901 | call chemthermos(ig,nlayer,lswitch,chemthermod,zycol,ztemp,& |
|---|
| 902 | zdens,zpress,zlocal,szacol,ptimestep,zday,& |
|---|
| 903 | em_no,em_o2) |
|---|
| 904 | end if |
|---|
| 905 | |
|---|
| 906 | do l = 1,nlayer |
|---|
| 907 | emission_no(ig,l) = em_no(l) |
|---|
| 908 | emission_o2(ig,l) = em_o2(l) |
|---|
| 909 | end do |
|---|
| 910 | end if ! photochem |
|---|
| 911 | |
|---|
| 912 | ! dry deposition |
|---|
| 913 | |
|---|
| 914 | if (depos) then |
|---|
| 915 | call deposition(ngrid, nlayer, nq, & |
|---|
| 916 | ig, ig_vl1, pplay, pplev, zzlay, zzlev, & |
|---|
| 917 | zu, zv, zt, zycol, ptimestep, co2ice) |
|---|
| 918 | end if |
|---|
| 919 | |
|---|
| 920 | !======================================================================= |
|---|
| 921 | ! tendencies |
|---|
| 922 | !======================================================================= |
|---|
| 923 | |
|---|
| 924 | ! index of the most abundant species at each level |
|---|
| 925 | |
|---|
| 926 | ! major(:) = maxloc(zycol, dim = 2) |
|---|
| 927 | |
|---|
| 928 | ! tendency for the most abundant species = - sum of others |
|---|
| 929 | |
|---|
| 930 | do l = 1,nlayer |
|---|
| 931 | iloc=maxloc(zycol(l,:)) |
|---|
| 932 | iqmax=iloc(1) |
|---|
| 933 | do i = 1,nbq |
|---|
| 934 | iq = niq(i) ! get tracer index |
|---|
| 935 | if (iq /= iqmax) then |
|---|
| 936 | dqchim(ig,l,iq) = (zycol(l,iq)*mmol(iq)/mmean(ig,l) & |
|---|
| 937 | - zq(ig,l,iq))/ptimestep |
|---|
| 938 | dqchim(ig,l,iqmax) = dqchim(ig,l,iqmax) & |
|---|
| 939 | - dqchim(ig,l,iq) |
|---|
| 940 | end if |
|---|
| 941 | end do |
|---|
| 942 | end do ! of do l = 1,nlayer |
|---|
| 943 | |
|---|
| 944 | !======================================================================= |
|---|
| 945 | ! end of loop over grid |
|---|
| 946 | !======================================================================= |
|---|
| 947 | |
|---|
| 948 | end do ! of do ig=1,ngrid |
|---|
| 949 | |
|---|
| 950 | !======================================================================= |
|---|
| 951 | ! write outputs |
|---|
| 952 | !======================================================================= |
|---|
| 953 | |
|---|
| 954 | ! value of parameter 'output' to trigger writting of outputs |
|---|
| 955 | ! is set above at the declaration of the variable. |
|---|
| 956 | |
|---|
| 957 | if (photochem .and. output) then |
|---|
| 958 | if (ngrid > 1) then |
|---|
| 959 | call writediagfi(ngrid,'jo3','j o3->o1d', & |
|---|
| 960 | 's-1',3,jo3_3d(1,1)) |
|---|
| 961 | call writediagfi(ngrid,'jh2o','jh2o', & |
|---|
| 962 | 's-1',3,jh2o_3d(1,1)) |
|---|
| 963 | call writediagfi(ngrid,'iter','iterations', & |
|---|
| 964 | ' ',3,iter_3d(1,1)) |
|---|
| 965 | |
|---|
| 966 | ! if (.not. unichim) then |
|---|
| 967 | call writediagfi(ngrid,'emission_no', & |
|---|
| 968 | 'NO nightglow emission rate','cm-3 s-1',3,emission_no) |
|---|
| 969 | call writediagfi(ngrid,'emission_o2', & |
|---|
| 970 | 'O2 nightglow emission rate','cm-3 s-1',3,emission_o2) |
|---|
| 971 | ! endif |
|---|
| 972 | |
|---|
| 973 | call wstats(ngrid,'jo3','j o3->o1d', & |
|---|
| 974 | 's-1',3,jo3_3d(1,1)) |
|---|
| 975 | call wstats(ngrid,'emission_no', & |
|---|
| 976 | 'NO nightglow emission rate','cm-3 s-1',3,emission_no) |
|---|
| 977 | call wstats(ngrid,'emission_o2', & |
|---|
| 978 | 'O2 nightglow emission rate','cm-3 s-1',3,emission_o2) |
|---|
| 979 | call wstats(ngrid,'mmean','mean molecular mass', & |
|---|
| 980 | 'g.mole-1',3,mmean(1,1)) |
|---|
| 981 | end if ! of if (ngrid.gt.1) |
|---|
| 982 | end if ! of if (output) |
|---|
| 983 | |
|---|
| 984 | end subroutine calchim |
|---|
| 985 | |
|---|
| 986 | |
|---|
| 987 | subroutine ini_calchim_mod(ngrid,nlayer,nq) |
|---|
| 988 | |
|---|
| 989 | implicit none |
|---|
| 990 | |
|---|
| 991 | integer,intent(in) :: ngrid ! number of atmospheric columns |
|---|
| 992 | integer,intent(in) :: nlayer ! number of atmospheric layers |
|---|
| 993 | integer,intent(in) :: nq ! number of tracers |
|---|
| 994 | |
|---|
| 995 | allocate(zdqchim(ngrid,nlayer,nq)) |
|---|
| 996 | zdqchim(:,:,:)=0 |
|---|
| 997 | allocate(zdqschim(ngrid,nq)) |
|---|
| 998 | zdqschim(:,:)=0 |
|---|
| 999 | |
|---|
| 1000 | end subroutine ini_calchim_mod |
|---|
| 1001 | |
|---|
| 1002 | |
|---|
| 1003 | subroutine end_calchim_mod |
|---|
| 1004 | |
|---|
| 1005 | implicit none |
|---|
| 1006 | |
|---|
| 1007 | if (allocated(zdqchim)) deallocate(zdqchim) |
|---|
| 1008 | if (allocated(zdqschim)) deallocate(zdqschim) |
|---|
| 1009 | |
|---|
| 1010 | end subroutine end_calchim_mod |
|---|
| 1011 | |
|---|
| 1012 | END MODULE calchim_mod |
|---|
| 1013 | |
|---|
