subroutine calchim_asis(ngrid,nlayer,nq, & ptimestep,pplay,pplev,pt,pdt,dist_sol,mu0, & zzlev,zzlay,zday,pq,pdq,dqchim,dqschim,dqcloud, & dqscloud,tauref,co2ice, & pu,pdu,pv,pdv,surfdust,surfice) use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, igcm_o2, & igcm_o3, igcm_h, igcm_h2, igcm_oh, igcm_ho2, & igcm_h2o2, igcm_ch4, igcm_n2, igcm_h2o_vap, & igcm_no, igcm_n, igcm_no2, igcm_n2d, & igcm_o2plus, igcm_co2plus, igcm_oplus, & igcm_coplus, igcm_cplus, igcm_nplus, & igcm_noplus, igcm_n2plus, igcm_hplus, & igcm_hco2plus, igcm_elec, mmol use conc_mod, only: mmean ! mean molecular mass of the atmosphere USE comcstfi_h implicit none !======================================================================= ! ! subject: ! -------- ! ! Prepare the call for the photochemical module, and send back the ! tendencies from photochemistry in the chemical species mass mixing ratios ! ! Author: Sebastien Lebonnois (08/11/2002) ! ------- ! update 12/06/2003 for water ice clouds and compatibility with dust ! update 07/2003 for coupling with thermosphere (Monica Angelats-i-Coll) ! update 03/05/2005 cosmetic changes (Franck Lefevre) ! update sept. 2008 identify tracers by their names (Ehouarn Millour) ! update 05/12/2011 synchronize with latest version of chemistry (Franck Lefevre) ! update 16/03/2012 optimization (Franck Lefevre) ! update 11/12/2013 optimization (Franck Lefevre) ! ! Arguments: ! ---------- ! ! Input: ! ! ptimestep timestep (s) ! pplay(ngrid,nlayer) Pressure at the middle of the layers (Pa) ! pplev(ngrid,nlayer+1) Intermediate pressure levels (Pa) ! pt(ngrid,nlayer) Temperature (K) ! pdt(ngrid,nlayer) Temperature tendency (K) ! pu(ngrid,nlayer) u component of the wind (ms-1) ! pdu(ngrid,nlayer) u component tendency (K) ! pv(ngrid,nlayer) v component of the wind (ms-1) ! pdv(ngrid,nlayer) v component tendency (K) ! dist_sol distance of the sun (AU) ! mu0(ngrid) cos of solar zenith angle (=1 when sun at zenith) ! pq(ngrid,nlayer,nq) Advected fields, ie chemical species here ! pdq(ngrid,nlayer,nq) Previous tendencies on pq ! tauref(ngrid) Optical depth at 7 hPa ! co2ice(ngrid) co2 ice surface layer (kg.m-2) ! surfdust(ngrid,nlayer) dust surface area (m2/m3) ! surfice(ngrid,nlayer) ice surface area (m2/m3) ! ! Output: ! ! dqchim(ngrid,nlayer,nq) ! tendencies on pq due to chemistry ! dqschim(ngrid,nq) ! tendencies on qsurf ! !======================================================================= #include "chimiedata.h" #include "callkeys.h" ! input: integer,intent(in) :: ngrid ! number of atmospheric columns integer,intent(in) :: nlayer ! number of atmospheric layers integer,intent(in) :: nq ! number of tracers real :: ptimestep real :: pplay(ngrid,nlayer) ! pressure at the middle of the layers real :: zzlay(ngrid,nlayer) ! pressure at the middle of the layers real :: pplev(ngrid,nlayer+1) ! intermediate pressure levels real :: zzlev(ngrid,nlayer+1) ! altitude at layer boundaries real :: pt(ngrid,nlayer) ! temperature real :: pdt(ngrid,nlayer) ! temperature tendency real :: pu(ngrid,nlayer) ! u component of the wind (m.s-1) real :: pdu(ngrid,nlayer) ! u component tendency real :: pv(ngrid,nlayer) ! v component of the wind (m.s-1) real :: pdv(ngrid,nlayer) ! v component tendency real :: dist_sol ! distance of the sun (AU) real :: mu0(ngrid) ! cos of solar zenith angle (=1 when sun at zenith) real :: pq(ngrid,nlayer,nq) ! tracers mass mixing ratio real :: pdq(ngrid,nlayer,nq) ! previous tendencies real :: zday ! date (time since Ls=0, in martian days) real :: tauref(ngrid) ! optical depth at 7 hPa real :: co2ice(ngrid) ! co2 ice surface layer (kg.m-2) real :: surfdust(ngrid,nlayer) ! dust surface area (m2/m3) real :: surfice(ngrid,nlayer) ! ice surface area (m2/m3) ! output: real :: dqchim(ngrid,nlayer,nq) ! tendencies on pq due to chemistry real :: dqschim(ngrid,nq) ! tendencies on qsurf real :: dqcloud(ngrid,nlayer,nq) ! tendencies on pq due to condensation real :: dqscloud(ngrid,nq) ! tendencies on qsurf ! local variables: integer,save :: nbq ! number of tracers used in the chemistry integer,allocatable,save :: niq(:) ! array storing the indexes of the tracers integer :: iloc(1) ! index of major species integer :: ig,l,i,iq,iqmax integer :: foundswitch, lswitch integer,save :: chemthermod integer,save :: i_co2 = 0 integer,save :: i_co = 0 integer,save :: i_o = 0 integer,save :: i_o1d = 0 integer,save :: i_o2 = 0 integer,save :: i_o3 = 0 integer,save :: i_h = 0 integer,save :: i_h2 = 0 integer,save :: i_oh = 0 integer,save :: i_ho2 = 0 integer,save :: i_h2o2 = 0 integer,save :: i_ch4 = 0 integer,save :: i_n2 = 0 integer,save :: i_h2o = 0 integer,save :: i_n = 0 integer,save :: i_no = 0 integer,save :: i_no2 = 0 integer,save :: i_n2d = 0 integer,save :: i_co2plus=0 integer,save :: i_oplus=0 integer,save :: i_o2plus=0 integer,save :: i_coplus=0 integer,save :: i_cplus=0 integer,save :: i_nplus=0 integer,save :: i_noplus=0 integer,save :: i_n2plus=0 integer,save :: i_hplus=0 integer,save :: i_hco2plus=0 integer,save :: i_elec=0 integer :: ig_vl1 real :: latvl1, lonvl1 real :: zq(ngrid,nlayer,nq) ! pq+pdq*ptimestep before chemistry ! new mole fraction after real :: zt(ngrid,nlayer) ! temperature real :: zu(ngrid,nlayer) ! u component of the wind real :: zv(ngrid,nlayer) ! v component of the wind real :: taucol ! optical depth at 7 hPa logical,save :: firstcall = .true. logical,save :: depos = .false. ! switch for dry deposition ! for each column of atmosphere: real :: zpress(nlayer) ! Pressure (mbar) real :: zdens(nlayer) ! Density (cm-3) real :: ztemp(nlayer) ! Temperature (K) real :: zlocal(nlayer) ! Altitude (km) real :: zycol(nlayer,nq) ! Composition (mole fractions) real :: zmmean(nlayer) ! Mean molecular mass (g.mole-1) real :: szacol ! Solar zenith angle real :: surfice1d(nlayer) ! Ice surface area (cm2/cm3) real :: surfdust1d(nlayer) ! Dust surface area (cm2/cm3) real :: jo3(nlayer) ! Photodissociation rate O3->O1D (s-1) integer :: iter(nlayer) ! Number of chemical iterations ! within one physical timestep ! for output: logical :: output ! to issue calls to writediagfi and stats parameter (output = .true.) real :: jo3_3d(ngrid,nlayer) ! Photodissociation rate O3->O1D (s-1) real :: iter_3d(ngrid,nlayer) ! Number of chemical iterations ! within one physical timestep !======================================================================= ! initialization of the chemistry (first call only) !======================================================================= if (firstcall) then if (photochem) then print*,'calchim: Read photolysis lookup table' call read_phototable end if ! find index of chemical tracers to use allocate(niq(nq)) ! Listed here are all tracers that can go into photochemistry nbq = 0 ! to count number of tracers ! Species ALWAYS present if photochem=.T. or thermochem=.T. i_co2 = igcm_co2 if (i_co2 == 0) then write(*,*) "calchim: Error; no CO2 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_co2 end if i_co = igcm_co if (i_co == 0) then write(*,*) "calchim: Error; no CO tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_co end if i_o = igcm_o if (i_o == 0) then write(*,*) "calchim: Error; no O tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_o end if i_o1d = igcm_o1d if (i_o1d == 0) then write(*,*) "calchim: Error; no O1D tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_o1d end if i_o2 = igcm_o2 if (i_o2 == 0) then write(*,*) "calchim: Error; no O2 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_o2 end if i_o3 = igcm_o3 if (i_o3 == 0) then write(*,*) "calchim: Error; no O3 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_o3 end if i_h = igcm_h if (i_h == 0) then write(*,*) "calchim: Error; no H tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_h end if i_h2 = igcm_h2 if (i_h2 == 0) then write(*,*) "calchim: Error; no H2 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_h2 end if i_oh = igcm_oh if (i_oh == 0) then write(*,*) "calchim: Error; no OH tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_oh end if i_ho2 = igcm_ho2 if (i_ho2 == 0) then write(*,*) "calchim: Error; no HO2 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_ho2 end if i_h2o2 = igcm_h2o2 if (i_h2o2 == 0) then write(*,*) "calchim: Error; no H2O2 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_h2o2 end if i_ch4 = igcm_ch4 if (i_ch4 == 0) then write(*,*) "calchim: Error; no CH4 tracer !!!" write(*,*) "CH4 will be ignored in the chemistry" else nbq = nbq + 1 niq(nbq) = i_ch4 end if i_n2 = igcm_n2 if (i_n2 == 0) then write(*,*) "calchim: Error; no N2 tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_n2 end if i_n = igcm_n if (i_n == 0) then if (photochem) then write(*,*) "calchim: Error; no N tracer !!!" stop end if else nbq = nbq + 1 niq(nbq) = i_n end if i_n2d = igcm_n2d if (i_n2d == 0) then if (photochem) then write(*,*) "calchim: Error; no N2D tracer !!!" stop end if else nbq = nbq + 1 niq(nbq) = i_n2d end if i_no = igcm_no if (i_no == 0) then if (photochem) then write(*,*) "calchim: Error; no NO tracer !!!" stop end if else nbq = nbq + 1 niq(nbq) = i_no end if i_no2 = igcm_no2 if (i_no2 == 0) then if (photochem) then write(*,*) "calchim: Error; no NO2 tracer !!!" stop end if else nbq = nbq + 1 niq(nbq) = i_no2 end if i_h2o = igcm_h2o_vap if (i_h2o == 0) then write(*,*) "calchim: Error; no water vapor tracer !!!" stop else nbq = nbq + 1 niq(nbq) = i_h2o end if !Check tracers needed for thermospheric chemistry if(thermochem) then chemthermod=0 !Default: C/O/H chemistry !Nitrogen chemistry !NO is used to determine if N chemistry is wanted !chemthermod=2 -> N chemistry if (i_no == 0) then write(*,*) "calchim: no NO tracer" write(*,*) "C/O/H themosp chemistry only " else chemthermod=2 write(*,*) "calchim: NO in traceur.def" write(*,*) "Nitrogen chemistry included" end if ! N if(chemthermod == 2) then if (i_n == 0) then write(*,*) "calchim: Error; no N tracer !!!" write(*,*) "N is needed if NO is in traceur.def" stop end if ! NO2 if (i_no2 == 0) then write(*,*) "calchim: Error; no NO2 tracer !!!" write(*,*) "NO2 is needed if NO is in traceur.def" stop end if ! N(2D) if (i_n2d == 0) then write(*,*) "calchim: Error; no N2D !!!" write(*,*) "N2D is needed if NO is in traceur.def" stop end if endif !Of if(chemthermod == 2) ! Ions ! O2+ is used to determine if ion chemistry is needed ! chemthermod=3 -> ion chemistry i_o2plus = igcm_o2plus if(chemthermod == 2) then if (i_o2plus == 0) then write(*,*) "calchim: no O2+ tracer; no ion chemistry" else nbq = nbq + 1 niq(nbq) = i_o2plus chemthermod = 3 write(*,*) "calchim: O2+ in traceur.def" write(*,*) "Ion chemistry included" end if else if (i_o2plus /= 0) then write(*,*) "calchim: O2+ is present, but NO is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if(chemthermod == 2) ! CO2+ i_co2plus = igcm_co2plus if(chemthermod == 3) then if (i_co2plus == 0) then write(*,*) "calchim: Error; no CO2+ tracer !!!" write(*,*) "CO2+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_co2plus end if else if (i_co2plus /= 0) then write(*,*) "calchim: Error: CO2+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if(chemthermod == 3) ! O+ i_oplus = igcm_oplus if(chemthermod == 3) then if (i_oplus == 0) then write(*,*) "calchim: Error; no O+ tracer !!!" write(*,*) "O+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_oplus end if else if (i_oplus /= 0) then write(*,*) "calchim: Error: O+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if (chemthermod == 3) ! CO+ i_coplus = igcm_coplus if(chemthermod == 3) then if (i_coplus == 0) then write(*,*) "calchim: Error; no CO+ tracer !!!" write(*,*) "CO+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_coplus end if else if (i_coplus /= 0) then write(*,*) "calchim: Error: CO+ is present, but O2+ is not!!!" write(*,*) " Both must be in traceur.def if ionosphere wanted" stop endif endif ! Of if (chemthermod == 3) ! C+ i_cplus = igcm_cplus if(chemthermod == 3) then if (i_cplus == 0) then write(*,*) "calchim: Error; no C+ tracer !!!" write(*,*) "C+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_cplus end if else if (i_cplus /= 0) then write(*,*) "calchim: Error; C+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif ! Of if (chemthermod == 3) ! N+ i_nplus = igcm_nplus if(chemthermod == 3) then if (i_nplus == 0) then write(*,*) "calchim: Error; no N+ tracer !!!" write(*,*) "N+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_nplus end if else if (i_nplus /= 0) then write(*,*) "calchim: Error: N+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if (chemthermod == 3) ! NO+ i_noplus = igcm_noplus if(chemthermod == 3) then if (i_noplus == 0) then write(*,*) "calchim: Error; no NO+ tracer !!!" write(*,*) "NO+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_noplus end if else if (i_noplus /= 0) then write(*,*) "calchim: Error: NO+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if (chemthermod == 3) ! N2+ i_n2plus = igcm_n2plus if (chemthermod == 3) then if (i_n2plus == 0) then write(*,*) "calchim: Error; no N2+ tracer !!!" write(*,*) "N2+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_n2plus end if else if (i_n2plus /= 0) then write(*,*) "calchim: Error: N2+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if (chemthermod == 3) !H+ i_hplus = igcm_hplus if (chemthermod == 3) then if (i_hplus == 0) then write(*,*) "calchim: Error; no H+ tracer !!!" write(*,*) "H+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_hplus end if else if (i_hplus /= 0) then write(*,*) "calchim: Error: H+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if (chemthermod == 3) ! HCO2+ i_hco2plus = igcm_hco2plus if(chemthermod == 3) then if (i_hco2plus == 0) then write(*,*) "calchim: Error; no HCO2+ tracer !!!" write(*,*) "HCO2+ is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_hco2plus end if else if (i_hco2plus /= 0) then write(*,*) "calchim: Error: HCO2+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if(chemthermod == 3) !e- i_elec = igcm_elec if(chemthermod == 3) then if (i_elec == 0) then write(*,*) "calchim: Error; no e- tracer !!!" write(*,*) "e- is needed if O2+ is in traceur.def" stop else nbq = nbq + 1 niq(nbq) = i_elec end if else if(i_elec /= 0) then write(*,*) "calchim: Error: e- is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ionosphere wanted" stop endif endif !Of if (chemthermod == 3) endif !Of thermochem write(*,*) 'calchim: found nbq = ',nbq,' tracers' firstcall = .false. end if ! if (firstcall) ! Initializations zycol(:,:) = 0. dqchim(:,:,:) = 0. dqschim(:,:) = 0. ! latvl1= 22.27 ! lonvl1= -47.94 ! ig_vl1= 1+ int( (1.5-(latvl1-90.)*jjm/180.) -2 )*iim + & ! int(1.5+(lonvl1+180)*iim/360.) !======================================================================= ! loop over grid !======================================================================= do ig = 1,ngrid foundswitch = 0 do l = 1,nlayer do i = 1,nbq iq = niq(i) ! get tracer index zq(ig,l,iq) = pq(ig,l,iq) + pdq(ig,l,iq)*ptimestep zycol(l,iq) = zq(ig,l,iq)*mmean(ig,l)/mmol(iq) end do zt(ig,l) = pt(ig,l) + pdt(ig,l)*ptimestep zu(ig,l) = pu(ig,l) + pdu(ig,l)*ptimestep zv(ig,l) = pv(ig,l) + pdv(ig,l)*ptimestep zpress(l) = pplay(ig,l)/100. ztemp(l) = zt(ig,l) zdens(l) = zpress(l)/(kb*1.e4*ztemp(l)) zlocal(l) = zzlay(ig,l)/1000. zmmean(l) = mmean(ig,l) ! surfdust1d and surfice1d: conversion from m2/m3 to cm2/cm3 surfdust1d(l) = surfdust(ig,l)*1.e-2 surfice1d(l) = surfice(ig,l)*1.e-2 ! search for switch index between regions if (photochem .and. thermochem) then if (foundswitch == 0 .and. pplay(ig,l) < 1.e-1) then lswitch = l foundswitch = 1 end if end if if (.not. photochem) then lswitch = 22 end if if (.not. thermochem) then lswitch = min(50,nlayer+1) end if end do ! of do l=1,nlayer szacol = acos(mu0(ig))*180./pi taucol = tauref(ig)*(700./610.) ! provisoire en attente de nouveau jmars !======================================================================= ! call chemical subroutines !======================================================================= ! chemistry in lower atmosphere if (photochem) then call photochemistry_asis(nlayer,nq, & ig,lswitch,zycol,szacol,ptimestep, & zpress,ztemp,zdens,zmmean,dist_sol, & surfdust1d,surfice1d,jo3,taucol,iter) ! ozone photolysis, for output do l = 1,nlayer jo3_3d(ig,l) = jo3(l) iter_3d(ig,l) = iter(l) end do ! condensation of h2o2 call perosat(ngrid, nlayer, nq, & ig,ptimestep,pplev,pplay, & ztemp,zycol,dqcloud,dqscloud) end if ! chemistry in upper atmosphere if (thermochem) then call chemthermos(ig,nlayer,lswitch,chemthermod,zycol,ztemp,& zdens,zpress,zlocal,szacol,ptimestep,zday) end if ! dry deposition if (depos) then call deposition(ngrid, nlayer, nq, & ig, ig_vl1, pplay, pplev, zzlay, zzlev, & zu, zv, zt, zycol, ptimestep, co2ice) end if !======================================================================= ! tendencies !======================================================================= ! index of the most abundant species at each level ! major(:) = maxloc(zycol, dim = 2) ! tendency for the most abundant species = - sum of others do l = 1,nlayer iloc=maxloc(zycol(l,:)) iqmax=iloc(1) do i = 1,nbq iq = niq(i) ! get tracer index if (iq /= iqmax) then dqchim(ig,l,iq) = (zycol(l,iq)*mmol(iq)/mmean(ig,l) & - zq(ig,l,iq))/ptimestep dqchim(ig,l,iqmax) = dqchim(ig,l,iqmax) & - dqchim(ig,l,iq) end if end do end do ! of do l = 1,nlayer !======================================================================= ! end of loop over grid !======================================================================= end do ! of do ig=1,ngrid !======================================================================= ! write outputs !======================================================================= ! value of parameter 'output' to trigger writting of outputs ! is set above at the declaration of the variable. if (photochem .and. output) then if (ngrid > 1) then call writediagfi(ngrid,'jo3','j o3->o1d', & 's-1',3,jo3_3d(1,1)) call writediagfi(ngrid,'iter','iterations', & ' ',3,iter_3d(1,1)) if (callstats) then call wstats(ngrid,'jo3','j o3->o1d', & 's-1',3,jo3_3d(1,1)) call wstats(ngrid,'mmean','mean molecular mass', & 'g.mole-1',3,mmean(1,1)) endif end if ! of if (ngrid.gt.1) end if ! of if (output) return end