| 1 | subroutine calchim(ptimestep,pplay,pplev,pt,pdt,dist_sol,mu0, |
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| 2 | $ zzlay,zday,pq,pdq,dqchim,dqschim,dqcloud, |
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| 3 | $ dqscloud) |
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| 4 | c |
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| 5 | implicit none |
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| 6 | c |
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| 7 | c======================================================================= |
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| 8 | c |
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| 9 | c subject: |
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| 10 | c -------- |
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| 11 | c |
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| 12 | c Prepare the call for the photochemical module, and send back the |
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| 13 | c tendencies from photochemistry in the chemical species mass mixing ratios |
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| 14 | c |
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| 15 | c Author: Sebastien Lebonnois (08/11/2002) |
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| 16 | c ------- |
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| 17 | c update 12/06/2003 for water ice clouds and compatibility with dust |
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| 18 | c update 07/2003 for coupling with thermosphere (Monica Angelats-i-Coll) |
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| 19 | c update 03/05/2005 cosmetic changes (Franck Lefevre) |
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| 20 | c |
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| 21 | c Arguments: |
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| 22 | c ---------- |
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| 23 | c |
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| 24 | c Input: |
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| 25 | c |
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| 26 | c ptimestep timestep (s) |
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| 27 | c pplay(ngridmx,nlayermx) Pressure at the middle of the layers (Pa) |
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| 28 | c pplev(ngridmx,nlayermx+1) Intermediate pressure levels (Pa) |
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| 29 | c pt(ngridmx,nlayermx) Temperature (K) |
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| 30 | c pdt(ngridmx,nlayermx) Temperature tendency (K) |
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| 31 | c dist_sol distance of the sun (AU) |
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| 32 | c mu0(ngridmx) cos of solar zenith angle (=1 when sun at zenith) |
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| 33 | c pq(ngridmx,nlayermx,nqmx) Advected fields, ie chemical species here |
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| 34 | c pdq(ngridmx,nlayermx,nqmx) Previous tendencies on pq |
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| 35 | c |
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| 36 | c Output: |
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| 37 | c |
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| 38 | c dqchim(ngridmx,nlayermx,nqmx) ! tendencies on pq due to chemistry |
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| 39 | c dqschim(ngridmx,nqmx) ! tendencies on qsurf |
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| 40 | c |
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| 41 | c======================================================================= |
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| 42 | |
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| 43 | c Declarations : |
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| 44 | c -------------- |
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| 45 | |
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| 46 | #include "dimensions.h" |
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| 47 | #include "dimphys.h" |
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| 48 | #include "chimiedata.h" |
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| 49 | #include "tracer.h" |
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| 50 | #include "comcstfi.h" |
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| 51 | #include "callkeys.h" |
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| 52 | #include "fisice.h" |
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| 53 | #include "conc.h" |
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| 54 | |
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| 55 | c Arguments : |
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| 56 | c ----------- |
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| 57 | |
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| 58 | c inputs: |
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| 59 | c ------- |
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| 60 | |
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| 61 | real ptimestep |
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| 62 | real pplay(ngridmx,nlayermx) ! pressure at the middle of the layers |
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| 63 | real zzlay(ngridmx,nlayermx) ! pressure at the middle of the layers |
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| 64 | real pplev(ngridmx,nlayermx+1) ! intermediate pressure levels |
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| 65 | real pt(ngridmx,nlayermx) ! temperature |
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| 66 | real pdt(ngridmx,nlayermx) ! temperature tendency |
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| 67 | real dist_sol ! distance of the sun (AU) |
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| 68 | real mu0(ngridmx) ! cos of solar zenith angle (=1 when sun at zenith) |
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| 69 | real pq(ngridmx,nlayermx,nqmx) ! tracers mass mixing ratio |
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| 70 | real pdq(ngridmx,nlayermx,nqmx) ! previous tendencies |
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| 71 | real zday ! date (time since Ls=0, in martian days) |
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| 72 | |
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| 73 | c outputs: |
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| 74 | c -------- |
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| 75 | |
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| 76 | real dqchim(ngridmx,nlayermx,nqmx) ! tendencies on pq due to chemistry |
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| 77 | real dqschim(ngridmx,nqmx) ! tendencies on qsurf |
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| 78 | real dqcloud(ngridmx,nlayermx,nqmx)! tendencies on pq due to condensation |
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| 79 | real dqscloud(ngridmx,nqmx) ! tendencies on qsurf |
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| 80 | |
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| 81 | c Local variables : |
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| 82 | c ----------------- |
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| 83 | |
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| 84 | character*5 str5 |
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| 85 | integer ig,l,iq, i_co2, i_o |
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| 86 | integer foundswitch, lswitch |
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| 87 | real zq(ngridmx,nlayermx,nqmx) ! pq+pdq*ptimestep before chemistry |
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| 88 | ! new mole fraction after |
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| 89 | real colden(ngridmx,nqmx) ! Column densities (cm-2) |
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| 90 | real zt(ngridmx,nlayermx) ! temperature |
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| 91 | c |
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| 92 | c for each column of atmosphere: |
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| 93 | c |
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| 94 | real zpress(nlayermx) ! Pressure (mbar) |
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| 95 | real zdens(nlayermx) ! Density (cm-3) |
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| 96 | real ztemp(nlayermx) ! Temperature (K) |
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| 97 | real zlocal(nlayermx) ! Altitude (km) |
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| 98 | real zycol(nlayermx,nqmx) ! Composition (mole fractions) |
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| 99 | real szacol ! Solar zenith angle |
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| 100 | real jo3(nlayermx) ! Photodissociation rate O3->O1D (s-1) |
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| 101 | c |
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| 102 | c for output: |
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| 103 | c |
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| 104 | real zdens3d(ngridmx,nlayermx) ! Density (cm-3) |
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| 105 | real jo3_3d(ngridmx,nlayermx) ! Photodissociation rate O3->O1D (s-1) |
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| 106 | real surfice(ngridmx,nlayermx) ! Surface of ice particules (um2/cm3) |
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| 107 | logical output |
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| 108 | |
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| 109 | logical firstcall |
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| 110 | data firstcall/.true./ |
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| 111 | save firstcall |
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| 112 | c |
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| 113 | c scheme A: 1 ; scheme B: 2 |
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| 114 | c |
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| 115 | integer scheme |
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| 116 | data scheme/2/ |
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| 117 | c |
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| 118 | c======================================================================= |
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| 119 | c initialization of the chemistry (first call only) |
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| 120 | c======================================================================= |
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| 121 | c |
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| 122 | if (firstcall) then |
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| 123 | c |
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| 124 | if (photochem) then |
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| 125 | print*,'INIT CHEMISTRY' |
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| 126 | if (scheme .eq. 1) then |
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| 127 | print*,'Scheme A : A METTRE A JOUR !!' |
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| 128 | stop |
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| 129 | c call init_chimie_A |
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| 130 | else |
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| 131 | print*,'Scheme B' |
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| 132 | call init_chimie_B |
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| 133 | end if |
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| 134 | end if |
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| 135 | firstcall = .false. |
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| 136 | end if |
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| 137 | c |
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| 138 | c======================================================================= |
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| 139 | c loop over grid |
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| 140 | c======================================================================= |
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| 141 | c |
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| 142 | do ig = 1,ngridmx |
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| 143 | c |
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| 144 | c local updates |
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| 145 | c |
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| 146 | foundswitch = 0 |
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| 147 | do l = 1,nlayermx |
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| 148 | do iq = nqchem_min,nqmx |
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| 149 | zq(ig,l,iq) = pq(ig,l,iq) + pdq(ig,l,iq)*ptimestep |
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| 150 | zt(ig,l) = pt(ig,l) + pdt(ig,l) *ptimestep |
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| 151 | zycol(l,iq) = zq(ig,l,iq) * mmean(ig,l)/mmol(iq) |
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| 152 | enddo |
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| 153 | zpress(l) = pplay(ig,l)/100. |
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| 154 | ztemp(l) = zt(ig,l) |
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| 155 | zdens(l) = zpress(l)/(kb*1.e4*ztemp(l)) |
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| 156 | zlocal(l) = zzlay(ig,l)/1000. |
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| 157 | c |
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| 158 | c search for switch index between regions |
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| 159 | c |
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| 160 | if (photochem .and. thermochem) then |
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| 161 | if (foundswitch .eq. 0 .and. pplay(ig,l).lt.1.e-3) then |
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| 162 | lswitch = l |
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| 163 | foundswitch=1 |
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| 164 | end if |
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| 165 | end if |
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| 166 | if ( .not. photochem) then |
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| 167 | lswitch = 22 |
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| 168 | end if |
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| 169 | if (.not. thermochem) then |
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| 170 | lswitch = min(33,nlayermx+1) |
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| 171 | end if |
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| 172 | c |
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| 173 | c ice surface area in microns^2/cm^3 |
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| 174 | c |
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| 175 | c = 4 pi r^2 * [ zq * mugaz/NA / (rhoice*4/3 pi r^3) ] *zdens |
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| 176 | c = 3/r * [ zq * mugaz/NA / rhoice ] *zdens |
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| 177 | c with r in microns, rhoice = 0.92e-12 g microns^-3 and zdens in cm^-3 |
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| 178 | c |
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| 179 | if (iceparty) then |
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| 180 | zycol(l,nqmx-1) = (3.e-6/rice(ig,l))*zq(ig,l,nqmx-1) |
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| 181 | $ *(mugaz/6.022e23)*zdens(l)/0.92e-12 |
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| 182 | c write(*,*) "rice=",rice(ig,l)," m / zdens=",zdens(l), |
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| 183 | c $ " cm-3 / icesurf=",zycol(l,nqmx-1)," microns^2/cm^3" |
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| 184 | surfice(ig,l) = zycol(l,nqmx-1) |
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| 185 | end if |
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| 186 | c |
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| 187 | end do |
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| 188 | c |
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| 189 | szacol = acos(mu0(ig))*180./pi |
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| 190 | c |
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| 191 | c======================================================================= |
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| 192 | c call chemical subroutine |
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| 193 | c======================================================================= |
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| 194 | c |
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| 195 | if (photochem) then |
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| 196 | if (scheme .eq. 1) then |
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| 197 | print*,'Scheme A : A METTRE A JOUR !!' |
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| 198 | c call photochemist_A(zycol,szacol,ptimestep, |
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| 199 | c $ zpress,ztemp,zdens,dist_sol) |
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| 200 | else |
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| 201 | call photochemist_B(lswitch,zycol,szacol,ptimestep, |
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| 202 | $ zpress,ztemp,zdens,dist_sol,jo3) |
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| 203 | end if |
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| 204 | end if |
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| 205 | if (thermochem) then |
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| 206 | call chemthermos(ig,lswitch,zycol,ztemp,zdens,zpress, |
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| 207 | $ zlocal,szacol,ptimestep,zday) |
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| 208 | end if |
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| 209 | c |
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| 210 | c======================================================================= |
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| 211 | c tendencies |
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| 212 | c======================================================================= |
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| 213 | c |
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| 214 | c must be 0. for water ice: |
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| 215 | c |
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| 216 | if (iceparty) then |
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| 217 | do l = 1,nlayermx |
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| 218 | dqchim(ig,l,nqmx-1) = 0. |
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| 219 | end do |
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| 220 | end if |
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| 221 | c |
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| 222 | c tendency for CO2 = - sum of others for lower atmosphere |
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| 223 | c tendency for O = - sum of others for upper atmosphere |
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| 224 | c |
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| 225 | do l = 1,nlayermx |
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| 226 | if (l .lt. lswitch) then |
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| 227 | do iq = nqchem_min,nqmx |
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| 228 | if ((noms(iq) .ne. "co2") .and. |
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| 229 | $ (noms(iq) .ne. "ice")) then |
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| 230 | dqchim(ig,l,iq) = (zycol(l,iq)*mmol(iq)/mmean(ig,l) |
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| 231 | $ - zq(ig,l,iq))/ptimestep |
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| 232 | else if (noms(iq) .eq. "co2") then |
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| 233 | i_co2 = iq |
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| 234 | dqchim(ig,l,iq) = 0. |
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| 235 | end if |
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| 236 | dqschim(ig,iq) = 0. |
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| 237 | end do |
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| 238 | do iq = nqchem_min,nqmx |
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| 239 | if (noms(iq) .ne. "co2") then |
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| 240 | dqchim(ig,l,i_co2) = dqchim(ig,l,i_co2) |
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| 241 | $ - dqchim(ig,l,iq) |
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| 242 | end if |
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| 243 | end do |
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| 244 | else if (l .ge. lswitch) then |
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| 245 | do iq = nqchem_min,nqmx |
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| 246 | if ((noms(iq).ne."o") .and.(noms(iq) .ne."ice")) then |
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| 247 | dqchim(ig,l,iq) = (zycol(l,iq)*mmol(iq) |
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| 248 | $ /mmean(ig,l) |
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| 249 | $ - zq(ig,l,iq))/ptimestep |
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| 250 | else if (noms(iq) .eq. "o") then |
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| 251 | i_o = iq |
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| 252 | dqchim(ig,l,iq) = 0. |
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| 253 | end if |
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| 254 | enddo |
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| 255 | do iq = nqchem_min,nqmx |
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| 256 | if (noms(iq) .ne. "o") then |
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| 257 | dqchim(ig,l,i_o) = dqchim(ig,l,i_o) |
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| 258 | $ - dqchim(ig,l,iq) |
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| 259 | end if |
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| 260 | end do |
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| 261 | end if |
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| 262 | end do |
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| 263 | c |
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| 264 | c dust |
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| 265 | c |
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| 266 | if (nqchem_min .gt. 1) then |
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| 267 | do iq = 1,nqchem_min-1 |
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| 268 | do l = 1,nlayermx |
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| 269 | dqchim(ig,l,iq) = 0. |
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| 270 | end do |
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| 271 | dqschim(ig,iq) = 0. |
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| 272 | end do |
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| 273 | end if |
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| 274 | c |
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| 275 | c condensation of h2o2 |
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| 276 | c |
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| 277 | call perosat(ig,ptimestep,pplev,pplay, |
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| 278 | $ ztemp,zycol,dqcloud,dqscloud) |
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| 279 | c |
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| 280 | c for outputs |
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| 281 | c |
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| 282 | do iq = nqchem_min,nqmx |
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| 283 | colden(ig,iq) = 0. |
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| 284 | do l = 1,nlayermx |
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| 285 | c |
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| 286 | c column density converted in cm-2 |
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| 287 | c pplev en pa, mugaz en g.mol-1 et g en m.s-2 |
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| 288 | c not for ice |
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| 289 | c |
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| 290 | if (noms(iq) .ne. "h2o2") then |
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| 291 | colden(ig,iq) = colden(ig,iq) + zycol(l,iq) |
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| 292 | $ *6.022e22*(pplev(ig,l)-pplev(ig,l+1)) |
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| 293 | $ /(mmean(ig,l)*g) |
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| 294 | else ! for H2O2, remove condensation from zycol |
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| 295 | colden(ig,iq) = colden(ig,iq) + (zycol(l,iq) + |
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| 296 | $ dqcloud(ig,l,iq)*ptimestep*mmean(ig,l)/mmol(iq)) |
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| 297 | $ *6.022e22*(pplev(ig,l)-pplev(ig,l+1)) |
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| 298 | $ /(mmean(ig,l)*g) |
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| 299 | end if |
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| 300 | c |
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| 301 | c local densities, for outputs (put in zq) |
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| 302 | c not for ice |
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| 303 | c |
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| 304 | zq(ig,l,iq) = zycol(l,iq)*zdens(l) |
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| 305 | c for H2O2, remove condensation from zycol |
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| 306 | if (noms(iq) .eq. "h2o2") then |
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| 307 | zq(ig,l,iq) = zdens(l)*(zycol(l,iq) + |
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| 308 | $ dqcloud(ig,l,iq)*ptimestep*mmean(ig,l)/mmol(iq)) |
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| 309 | end if |
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| 310 | end do |
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| 311 | end do |
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| 312 | c |
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| 313 | c density and j(o3->o1d), for outputs |
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| 314 | c |
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| 315 | zdens3d(ig,1) = zdens(1) |
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| 316 | jo3_3d(ig,1) = jo3(1) |
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| 317 | do l = 2,nlayermx |
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| 318 | zdens3d(ig,l) = zdens(l) |
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| 319 | jo3_3d(ig,l) = jo3(l) |
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| 320 | end do |
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| 321 | c |
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| 322 | c======================================================================= |
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| 323 | c end of loop over grid |
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| 324 | c======================================================================= |
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| 325 | c |
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| 326 | end do |
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| 327 | c |
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| 328 | c======================================================================= |
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| 329 | c write outputs |
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| 330 | c======================================================================= |
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| 331 | c |
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| 332 | output = .true. |
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| 333 | |
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| 334 | if (output) then |
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| 335 | if (ngridmx .gt. 1) then |
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| 336 | c call writediagfi(ngridmx,'dens','atm dens.','cm-3',3,zdens3d(1,1)) |
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| 337 | c call writediagfi(ngridmx,'jo3','j o3->o1d','s-1',3,jo3_3d(1,1)) |
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| 338 | c call writediagfi(ngridmx,'sice','ice surf.','um2/cm3',3,surfice(1,1)) |
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| 339 | do iq = nqchem_min,nqmx |
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| 340 | if (noms(iq) .ne. "ice") then |
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| 341 | write(str5(1:5),'(a5)') noms(iq) |
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| 342 | call writediagfi(ngridmx,'n_'//str5,'density', |
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| 343 | $ 'cm-3',3,zq(1,1,iq)) |
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| 344 | c call writediagfi(ngridmx,'dqch_'//str5,'density','cm-3',3,dqchim(1,1,iq)) |
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| 345 | c if (noms(iq) .eq. "h2o2" .or. noms(iq) .eq. "h2o") then |
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| 346 | c call writediagfi(ngridmx,'cl_'//str5,'density','cm-3',3,dqcloud(1,1,iq)) |
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| 347 | c end if |
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| 348 | call writediagfi(ngridmx,'c_'//str5,'col. dens.', |
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| 349 | $ 'cm-2',2,colden(1,iq)) |
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| 350 | end if |
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| 351 | end do |
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| 352 | c |
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| 353 | if (callstats) then |
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| 354 | c |
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| 355 | c convert to mole.cm-2 for the column densities |
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| 356 | c |
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| 357 | do iq = nqchem_min,nqmx |
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| 358 | do ig = 1,ngridmx |
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| 359 | colden(ig,iq) = colden(ig,iq)/6.022e23 |
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| 360 | end do |
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| 361 | end do |
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| 362 | c |
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| 363 | c call wstats(ngridmx,"jo3","jo3->o1d","s-1",3,jo3_3d) |
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| 364 | c |
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| 365 | do iq = nqchem_min,nqmx |
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| 366 | if (noms(iq) .ne. "ice") then |
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| 367 | write(str5(1:5),'(a5)') noms(iq) |
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| 368 | call wstats(ngridmx,"n_"//str5,"density", |
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| 369 | & "cm-3",3,zq(1,1,iq)) |
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| 370 | call wstats(ngridmx,"c_"//str5,"col. dens.", |
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| 371 | & "mol cm-2",2,colden(1,iq)) |
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| 372 | end if |
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| 373 | end do |
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| 374 | end if |
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| 375 | end if |
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| 376 | c |
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| 377 | endif |
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| 378 | c |
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| 379 | end |
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