MODULE calchim_mod IMPLICIT NONE INTEGER, SAVE :: ichemistry ! compute chemistry every ichemistry physics step REAL,SAVE,ALLOCATABLE :: zdqchim(:,:,:) ! Tendancy on pq due to photochemistry REAL,SAVE,ALLOCATABLE :: zdqschim(:,:) ! Tendancy on qsurf due to photochemistry !$OMP THREADPRIVATE(ichemistry,zdqchim,zdqschim) CONTAINS subroutine calchim(ngrid,nlayer,nq, & ptimestep,pplay,pplev,pt,pdt,dist_sol,mu0, & zzlev,zzlay,zday,pq,pdq,dqchim,dqschim,dqcloud, & dqscloud,tau,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_hcoplus, igcm_h2oplus, & igcm_h3oplus, igcm_ohplus, igcm_elec, & igcm_hdo_vap, igcm_od, igcm_d, igcm_hd, & igcm_do2, igcm_hdo2, mmol use conc_mod, only: mmean ! mean molecular mass of the atmosphere use comcstfi_h, only: pi use chemthermos_mod, only: chemthermos use chemthermos_readini_mod, only: chemthermos_readini use photochemistry_mod, only: photochemistry use deposition_mod, only: deposition use perosat_mod, only: perosat use chemistrydata_mod, only: read_phototable use photolysis_mod, only: init_photolysis, nphot use iono_h, only: temp_elect use wstats_mod, only: wstats implicit none !======================================================================= ! ! subject: ! -------- ! ! Prepare the call for the photochemical module, and send back the ! tendencies from photochemistry in the chemical species mass mixing ratios ! ! 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 ! tau(ngrid) dust optical depth ! 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 "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 :: tau(ngrid) ! dust optical depth 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 !$OMP THREADPRIVATE(nbq,niq,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_hcoplus=0 integer,save :: i_h2oplus=0 integer,save :: i_h3oplus=0 integer,save :: i_ohplus=0 integer,save :: i_elec=0 integer,save :: i_hdo=0 integer,save :: i_od=0 integer,save :: i_d=0 integer,save :: i_hd=0 integer,save :: i_do2=0 integer,save :: i_hdo2=0 !$OMP THREADPRIVATE(i_co2,i_co,i_o,i_o1d,i_o2,i_o3,i_h,i_h2,i_oh,i_ho2,i_h2o2,i_ch4) !$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) !$OMP THREADPRIVATE(i_noplus,i_n2plus,i_hplus,i_hco2plus,i_hcoplus,i_h2oplus,i_h3oplus,i_ohplus,i_elec,i_hdo,i_od,i_d,i_hd,i_do2,i_hdo2) integer :: ig_vl1 integer :: nb_reaction_3_max ! number of quadratic reactions integer :: nb_reaction_4_max ! number of bimolecular reactions integer :: nquench ! number of quenching + heterogeneous reactions integer :: nphotion ! number of photoionizations integer :: nb_reaction_4_ion ! quadratic reactions for ionosphere integer :: nb_reaction_4_deut ! quadratic reactions for deuterium chem integer :: nb_phot_max ! total number of photolysis+photoionizations+quenching reactions real :: latvl1, lonvl1 real :: zq(ngrid,nlayer,nq) ! pq+pdq*ptimestep before chemistry ! new mole fraction after real :: zt(ngrid,nlayer) ! temperature real :: zu(ngrid,nlayer) ! u component of the wind real :: zv(ngrid,nlayer) ! v component of the wind real :: taucol ! dust optical depth at the surface real :: kb ! boltzmann constant logical, save :: firstcall = .true. logical, save :: depos ! switch for dry deposition logical, save :: ionchem ! switch for ionospheric chemistry logical, save :: deutchem ! switch for deuterium chemistry logical, save :: jonline ! switch for online photodissociation rates or lookup table logical, save :: unichim ! only one unified chemical scheme at all ! layers (default), or upper atmospheric ! scheme in the thermosphere !$OMP THREADPRIVATE(firstcall,depos,ionchem,deutchem,jonline,unichim) ! for each column of atmosphere: real :: zpress(nlayer) ! Pressure (mbar) real :: zdens(nlayer) ! Density (cm-3) real :: ztemp(nlayer) ! Temperature (K) real :: ztelec(nlayer) ! Electronic 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) real :: jh2o(nlayer) ! Photodissociation rate H2O->H+OH (s-1) real :: em_no(nlayer) ! NO nightglow emission rate real :: em_o2(nlayer) ! O2 nightglow emission rate integer :: iter(nlayer) ! Number of chemical iterations ! within one physical timestep ! for output: logical,save :: output ! to issue calls to writediagfi and stats real :: jo3_3d(ngrid,nlayer) ! Photodissociation rate O3->O1D (s-1) real :: jh2o_3d(ngrid,nlayer) ! Photodissociation rate H2O->H+OH (s-1) real :: emission_no(ngrid,nlayer) !NO emission rate real :: emission_o2(ngrid,nlayer) !O2 emission rate real :: iter_3d(ngrid,nlayer) ! Number of chemical iterations ! within one physical timestep !$OMP THREADPRIVATE(output) !======================================================================= ! initialization of the chemistry (first call only) !======================================================================= if (firstcall) then !======================================================================= ! main dashboard for the chemistry !======================================================================= unichim = .true. ! true : unified chemistry ! false : separate models in lower and upper atmosphere jonline = .true. ! true : on-line calculation of photodissociation rates ! false : lookup table ionchem = .false. ! switch for ionospheric chemistry deutchem= .false. ! switch for deuterium chemistry depos = .false. ! switch for dry deposition output = .true. ! true : triggers writing of specific outputs (photolysis rates, emission rates, etc) ! if (photochem) then ! if (jonline) then ! print*,'calchim: Read UV absorption cross-sections' ! call init_photolysis ! on-line photolysis ! else ! print*,'calchim: Read photolysis lookup table' ! call read_phototable ! off-line photolysis ! end if ! end if ! if(.not.unichim) then !Read reaction rates from external file if the upper atmospheric !chemistry is called ! call chemthermos_readini ! endif ! 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. i_co2 = igcm_co2 if (i_co2 == 0) then write(*,*) "calchim: Error; no CO2 tracer !!!" call abort_physic("calchim","missing co2 tracer",1) 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 !!!" call abort_physic("calchim","missing co tracer",1) 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 !!!" call abort_physic("calchim","missing o tracer",1) 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 !!!" call abort_physic("calchim","missing o1d tracer",1) 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 !!!" call abort_physic("calchim","missing o2 tracer",1) 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 !!!" call abort_physic("calchim","missing o3 tracer",1) 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 !!!" call abort_physic("calchim","missing h tracer",1) 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 !!!" call abort_physic("calchim","missing h2 tracer",1) 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 !!!" call abort_physic("calchim","missing oh tracer",1) 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 !!!" call abort_physic("calchim","missing ho2 tracer",1) 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 !!!" call abort_physic("calchim","missing h2o2 tracer",1) 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 !!!" call abort_physic("calchim","missing n2 tracer",1) 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 !!!" call abort_physic("calchim","missing n tracer",1) 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 !!!" call abort_physic("calchim","missing n2d tracer",1) 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 !!!" call abort_physic("calchim","missing no tracer",1) 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 !!!" call abort_physic("calchim","missing no2 tracer",1) 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 !!!" call abort_physic("calchim","missing h2o_vap tracer",1) else nbq = nbq + 1 niq(nbq) = i_h2o end if i_hdo=igcm_hdo_vap if (i_hdo == 0) then write(*,*) "calchim: no HDO tracer !!!" ! call abort_physic("calchim","missing hdo_vap tracer",1) write(*,*) "No deuterium chemistry considered" else nbq = nbq + 1 niq(nbq) = i_hdo deutchem = .true. write(*,*) "calchim: HDO tracer found in traceur.def" write(*,*) "Deuterium chemistry included" end if i_od=igcm_od if(deutchem) then if (i_od == 0) then write(*,*) "calchim: Error, no OD tracer !!!" write(*,*) "OD is needed if HDO is in traceur.def" call abort_physic("calchim","missing od tracer",1) else nbq = nbq + 1 niq(nbq) = i_od end if else if (i_oplus /= 0) then write(*,*) "calchim: Error: OD is present, but HDO is not!!!" write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" call abort_physic("calchim","missing hdo tracer",1) endif endif i_d=igcm_d if(deutchem) then if (i_d == 0) then write(*,*) "calchim: Error, no D tracer !!!" write(*,*) "D is needed if HDO is in traceur.def" call abort_physic("calchim","missing d tracer",1) else nbq = nbq + 1 niq(nbq) = i_d end if else if (i_d /= 0) then write(*,*) "calchim: Error: D is present, but HDO is not!!!" write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" call abort_physic("calchim","missing hdo tracer",1) endif endif i_hd=igcm_hd if(deutchem) then if (i_hd == 0) then write(*,*) "calchim: Error, no HD tracer !!!" write(*,*) "HD is needed if HDO is in traceur.def" call abort_physic("calchim","missing hd tracer",1) else nbq = nbq + 1 niq(nbq) = i_hd end if else if (i_hd /= 0) then write(*,*) "calchim: Error: HD is present, but HDO is not!!!" write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" call abort_physic("calchim","missing hd tracer",1) endif endif i_do2=igcm_do2 if(deutchem) then if (i_do2 == 0) then write(*,*) "calchim: Error, no DO2 tracer !!!" write(*,*) "DO2 is needed if HDO is in traceur.def" call abort_physic("calchim","missing do2 tracer",1) else nbq = nbq + 1 niq(nbq) = i_do2 end if else if (i_do2 /= 0) then write(*,*) "calchim: Error: DO2 is present, but HDO is not!!!" write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" call abort_physic("calchim","missing do2 tracer",1) endif endif i_hdo2=igcm_hdo2 if(deutchem) then if (i_hdo2 == 0) then write(*,*) "calchim: Error, no HDO2 tracer !!!" write(*,*) "HDO2 is needed if HDO is in traceur.def" call abort_physic("calchim","missing hdo2 tracer",1) else nbq = nbq + 1 niq(nbq) = i_hdo2 end if else if (i_hdo2 /= 0) then write(*,*) "calchim: Error: HDO2 is present, but HDO is not!!!" write(*,*) "Both must be in traceur.def if deuterium chemistry wanted" call abort_physic("calchim","missing hdo2 tracer",1) endif endif i_o2plus = igcm_o2plus if (i_o2plus == 0) then write(*,*) "calchim: no O2+ tracer " write(*,*) "Only neutral chemistry" else nbq = nbq + 1 niq(nbq) = i_o2plus ionchem = .true. write(*,*) "calchim: O2+ tracer found in traceur.def" write(*,*) "Ion chemistry included" end if i_co2plus = igcm_co2plus if(ionchem) then if (i_co2plus == 0) then write(*,*) "calchim: Error, no CO2+ tracer !!!" write(*,*) "CO2+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing co2plus tracer",1) 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 ion chemistry wanted" call abort_physic("calchim","missing o2plus tracer",1) endif endif i_oplus=igcm_oplus if(ionchem) then if (i_oplus == 0) then write(*,*) "calchim: Error, no O+ tracer !!!" write(*,*) "O+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing oplus tracer",1) 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 ion chemistry wanted" call abort_physic("calchim","missing o2plus tracer",1) endif endif i_noplus=igcm_noplus if(ionchem) then if (i_noplus == 0) then write(*,*) "calchim: Error, no NO+ tracer !!!" write(*,*) "NO+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing noplus tracer",1) 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 ion chemistry wanted" endif endif i_coplus=igcm_coplus if(ionchem) then if (i_coplus == 0) then write(*,*) "calchim: Error, no CO+ tracer !!!" write(*,*) "CO+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing coplus tracer",1) 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 ion chemistry wanted" endif endif i_cplus=igcm_cplus if(ionchem) then if (i_cplus == 0) then write(*,*) "calchim: Error, no C+ tracer !!!" write(*,*) "C+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing cplus tracer",1) 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 ion chemistry wanted" endif endif i_n2plus=igcm_n2plus if(ionchem) then if (i_n2plus == 0) then write(*,*) "calchim: Error, no N2+ tracer !!!" write(*,*) "N2+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing n2plus tracer",1) 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 ion chemistry wanted" endif endif i_nplus=igcm_nplus if(ionchem) then if (i_nplus == 0) then write(*,*) "calchim: Error, no N+ tracer !!!" write(*,*) "N+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing nplus tracer",1) 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 ion chemistry wanted" endif endif i_hplus=igcm_hplus if(ionchem) then if (i_hplus == 0) then write(*,*) "calchim: Error, no H+ tracer !!!" write(*,*) "H+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing hplus tracer",1) 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 ion chemistry wanted" endif endif i_hco2plus=igcm_hco2plus if(ionchem) then if (i_hco2plus == 0) then write(*,*) "calchim: Error, no HCO2+ tracer !!!" write(*,*) "HCO2+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing hco2plus tracer",1) 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 ion chemistry wanted" endif endif i_hcoplus=igcm_hcoplus if(ionchem) then if (i_hcoplus == 0) then write(*,*) "calchim: Error, no HCO+ tracer !!!" write(*,*) "HCO+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing hcoplus tracer",1) else nbq = nbq + 1 niq(nbq) = i_hcoplus end if else if (i_hcoplus /= 0) then write(*,*) "calchim: Error: HCO+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ion chemistry wanted" endif endif i_h2oplus=igcm_h2oplus if(ionchem) then if (i_h2oplus == 0) then write(*,*) "calchim: Error, no H2O+ tracer !!!" write(*,*) "H2O+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing h2oplus tracer",1) else nbq = nbq + 1 niq(nbq) = i_h2oplus end if else if (i_h2oplus /= 0) then write(*,*) "calchim: Error: H2O+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ion chemistry wanted" endif endif i_h3oplus=igcm_h3oplus if(ionchem) then if (i_h3oplus == 0) then write(*,*) "calchim: Error, no H3O+ tracer !!!" write(*,*) "H3O+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing h3oplus tracer",1) else nbq = nbq + 1 niq(nbq) = i_h3oplus end if else if (i_h3oplus /= 0) then write(*,*) "calchim: Error: H3O+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ion chemistry wanted" endif endif i_ohplus=igcm_ohplus if(ionchem) then if (i_ohplus == 0) then write(*,*) "calchim: Error, no OH+ tracer !!!" write(*,*) "OH+ is needed if O2+ is in traceur.def" call abort_physic("calchim","missing ohplus tracer",1) else nbq = nbq + 1 niq(nbq) = i_ohplus end if else if (i_ohplus /= 0) then write(*,*) "calchim: Error: OH+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ion chemistry wanted" endif endif i_elec = igcm_elec if(ionchem) then if (i_elec == 0) then write(*,*) "calchim: Error, no e- tracer !!!" write(*,*) "e- is needed if O2+ is in traceur.def" call abort_physic("calchim","missing elec tracer",1) 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 ion chemistry wanted" endif endif write(*,*) 'calchim: found nbq = ',nbq,' tracers' write(*,*) 'calchim: tracer indices=',niq(:) if (photochem) then if (jonline) then print*,'calchim: Read UV absorption cross-sections' !Add two photodissociations in deuterium chemistry included if(deutchem) nphot = nphot + 2 call init_photolysis ! on-line photolysis else print*,'calchim: Read photolysis lookup table' call read_phototable ! off-line photolysis end if end if if(.not.unichim) then !Read reaction rates from external file if the upper atmospheric !chemistry is called call chemthermos_readini endif ! stop firstcall = .false. end if ! if (firstcall) ! Initializations zycol(:,:) = 0. dqchim(:,:,:) = 0. dqschim(:,:) = 0. kb = 1.3806e-23 ! latvl1= 22.27 ! lonvl1= -47.94 ! ig_vl1= 1+ int( (1.5-(latvl1-90.)*48./180.) -2 )*64. + & ! int(1.5+(lonvl1+180)*64./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) ztelec(l) = temp_elect(zlocal(l),ztemp(l),1) !Electronic temperature. Index 1 -> Viking; Index 2-> MAVEN ! 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 (unichim) then lswitch = nlayer + 1 else if (foundswitch == 0 .and. pplay(ig,l) < 10.) then lswitch = l foundswitch = 1 end if endif end do ! of do l=1,nlayer szacol = acos(mu0(ig))*180./pi taucol = tau(ig) !======================================================================= ! call chemical subroutines !======================================================================= if (photochem) then ! set number of reactions, depending on ion chemistry or not nb_reaction_4_ion = 64 nb_reaction_4_deut = 35 !Default numbers if no ion and no deuterium chemistry included nb_reaction_4_max = 31 ! set number of bimolecular reactions nb_reaction_3_max = 6 ! set number of quadratic reactions nquench = 9 ! set number of quenching + heterogeneous nphotion = 0 ! set number of photoionizations if (ionchem) then nb_reaction_4_max = nb_reaction_4_max + nb_reaction_4_ion nphotion = 18 ! set number of photoionizations endif if(deutchem) then nb_reaction_4_max = nb_reaction_4_max + nb_reaction_4_deut end if ! nb_phot_max is the total number of processes that are treated ! numerically as a photolysis: nb_phot_max = nphot + nphotion + nquench ! call main photochemistry routine call photochemistry(nlayer,nq,nbq,ionchem,deutchem, & nb_reaction_3_max,nb_reaction_4_max,nphot, & nb_phot_max,nphotion, & jonline,ig,lswitch,zycol,szacol,ptimestep, & zpress,zlocal,ztemp,ztelec,zdens,zmmean, & dist_sol,zday,surfdust1d,surfice1d, & jo3,jh2o,em_no,em_o2,taucol,iter) ! ozone photolysis, for output do l = 1,nlayer jo3_3d(ig,l) = jo3(l) jh2o_3d(ig,l) = jh2o(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) ! case of separate photochemical model in the thermosphere if (.not.unichim) then chemthermod = 3 !C/O/H/N/ions call chemthermos(ig,nlayer,lswitch,chemthermod,zycol,ztemp,& zdens,zpress,zlocal,szacol,ptimestep,zday,& em_no,em_o2) end if do l = 1,nlayer emission_no(ig,l) = em_no(l) emission_o2(ig,l) = em_o2(l) end do end if ! photochem ! 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,'jh2o','jh2o', & 's-1',3,jh2o_3d(1,1)) call writediagfi(ngrid,'iter','iterations', & ' ',3,iter_3d(1,1)) ! if (.not. unichim) then call writediagfi(ngrid,'emission_no', & 'NO nightglow emission rate','cm-3 s-1',3,emission_no) call writediagfi(ngrid,'emission_o2', & 'O2 nightglow emission rate','cm-3 s-1',3,emission_o2) ! endif call wstats(ngrid,'jo3','j o3->o1d', & 's-1',3,jo3_3d(1,1)) call wstats(ngrid,'emission_no', & 'NO nightglow emission rate','cm-3 s-1',3,emission_no) call wstats(ngrid,'emission_o2', & 'O2 nightglow emission rate','cm-3 s-1',3,emission_o2) call wstats(ngrid,'mmean','mean molecular mass', & 'g.mole-1',3,mmean(1,1)) end if ! of if (ngrid.gt.1) end if ! of if (output) end subroutine calchim subroutine ini_calchim_mod(ngrid,nlayer,nq) implicit none integer,intent(in) :: ngrid ! number of atmospheric columns integer,intent(in) :: nlayer ! number of atmospheric layers integer,intent(in) :: nq ! number of tracers allocate(zdqchim(ngrid,nlayer,nq)) zdqchim(:,:,:)=0 allocate(zdqschim(ngrid,nq)) zdqschim(:,:)=0 end subroutine ini_calchim_mod subroutine end_calchim_mod implicit none if (allocated(zdqchim)) deallocate(zdqchim) if (allocated(zdqschim)) deallocate(zdqschim) end subroutine end_calchim_mod END MODULE calchim_mod