!**************************************************************** ! ! Photochemical routine ! ! Authors: Franck Lefevre, Francisco Gonzalez-Galindo ! ------- ! ! Version: 14/11/2020 ! ! ASIS scheme : for details on the method see ! Cariolle et al., Geosci. Model Dev., 10, 1467-1485, 2017. ! ! ------- ! ! 2022/09/15: adding ion chemistry by Antoine Martinez ! !***************************************************************** subroutine photochemistry_venus(nz, n_lon, zlocal, ptimestep, & ok_jonline, ok_ionchem, tuneupperatm, & nb_reaction_3_max, nb_reaction_4_max, & nb_phot_max, nphotion, ig, & p, t, t_elect, tr, vmr_dens_euv, mumean, & sza_input, lon, lat, nesp, nespeuv, iter, & prod_tr, loss_tr, em_no, em_o2) use chemparam_mod use photolysis_mod use param_v4_h, only: jion use iono_h, only: phdisrate !nphot ! number of photodissociations, include in "use photolysis_mod" implicit none !=================================================================== ! input: !=================================================================== integer, intent(in) :: nz ! number of atmospheric layers integer, intent(in) :: nesp ! number of tracers in traceur.def integer, intent(in) :: nespeuv ! number of tracers for jthermcal_e107.F integer, intent(in) :: nb_reaction_3_max ! number of quadratic reactions integer, intent(in) :: nb_reaction_4_max ! number of bimolecular reactions integer, intent(in) :: nb_phot_max ! total number of photolysis+photoionizations+quenching reactions integer, intent(in) :: nphotion ! number of photoionizations logical, intent(in) :: ok_ionchem ! switch for ion chemistry logical, intent(in) :: ok_jonline ! switch for on-line calculation of photolysis rates logical, intent(in) :: tuneupperatm! upper atmosphere chemistry tuning real, dimension(nz) :: p ! pressure (hpa) real, dimension(nz) :: t ! temperature (k) real, dimension(nz) :: t_elect ! electronic temperature (k) real, dimension(nz) :: zlocal ! altitude (km) real, dimension(nz) :: mumean ! mean molecular mass (g/mol) real, dimension(nz,nespeuv) :: vmr_dens_euv ! tracer mixing ratio for jthermcal_e107 routine real :: ptimestep ! physics timestep (s) real :: sza_input ! solar zenith angle (degrees) real :: lon, lat ! longitude and latitude (degrees) integer :: ig ! grid point index integer :: n_lon ! for 1D test !=================================================================== ! input/output: !=================================================================== real, dimension(nz,nesp) :: tr ! tracer mixing ratio real, dimension(nz,nesp) :: prod_tr ! production (cm-3.s-1) real, dimension(nz,nesp) :: loss_tr ! loss (cm-3.s-1) real, dimension (nz) :: em_no ! volume emission rate of no real, dimension (nz) :: em_o2 ! volume emission rate of o2(deltag) !=================================================================== ! output: !=================================================================== integer :: iter(nz) ! iteration counter !=================================================================== ! local: !=================================================================== ! ok_ jonline: see physiq.def ! true : on-line calculation of photodissociation rates ! false : lookup table logical, save :: firstcall = .true. real, dimension(nz) :: conc ! total number density (molecule.cm-3) real, dimension(nz) :: surfice1d, surfdust1d integer :: ind_norec integer :: ind_orec ! photolysis lookup table (case jonline = .false.) ! if prior to jvenus.20211025, set nztable = 201 below integer, parameter :: nj = 23, nztable = 281, nsza = 27, nso2 = 13 real, dimension(nso2,nsza,nztable,nj), save :: jphot ! nj must be equal to nphot real, dimension(nztable), save :: table_colair real, dimension(nso2,nztable), save :: table_colso2 real, dimension(nsza), save :: table_sza real :: dist_sol ! number densities real (kind = 8), dimension(nesp) :: cold ! number densities at previous timestep (molecule.cm-3) real (kind = 8), dimension(nz,nesp) :: c ! number densities at current timestep (molecule.cm-3) real (kind = 8), dimension(nz,nespeuv) :: c_euv! number densities for jthermcal_e107 at current timestep (molecule.cm-3) real (kind = 8), dimension(nesp) :: cnew ! number densities at next timestep (molecule.cm-3) ! timesteps real :: ctimestep ! standard timestep for the chemistry (s) real :: dt_guess ! first-guess timestep (s) real :: dt_corrected ! corrected timestep (s) real :: time ! internal time (between 0 and ptimestep, in s) integer :: phychemrat !Tracer indexes for photionization coeffs integer,parameter :: induv_co2 = 1 integer,parameter :: induv_o2 = 2 integer,parameter :: induv_o = 3 integer,parameter :: induv_h2o = 4 integer,parameter :: induv_h2 = 5 integer,parameter :: induv_h2o2= 6 integer,parameter :: induv_o3 = 7 integer,parameter :: induv_n2 = 8 integer,parameter :: induv_n = 9 integer,parameter :: induv_no = 10 integer,parameter :: induv_co = 11 integer,parameter :: induv_h = 12 integer,parameter :: induv_no2 = 13 ! reaction rates real (kind = 8), dimension(nz, nb_phot_max) :: v_phot real (kind = 8), dimension(nz,nb_reaction_3_max) :: v_3 real (kind = 8), dimension(nz,nb_reaction_4_max) :: v_4 logical,parameter :: hetero_ice = .false. logical,parameter :: hetero_dust = .false. ! matrix real (kind = 8), dimension(nesp,nesp) :: mat, mat1 integer, dimension(nesp) :: indx integer :: code ! production and loss terms (for first-guess solution only) real (kind = 8), dimension(nesp) :: prod, loss, lossconc ! indexes integer :: i, iesp, iz if (firstcall) then !=================================================================== ! initialisation of photolysis !=================================================================== ! ok jonline ! true : on-line calculation of photodissociation rates ! false : lookup table if (ok_jonline) then print*, 'photochemistry: Read UV absorption cross-sections:' call init_photolysis else print*, 'photochemistry: Read photolysis lookup table:' call init_chimie(nphot, nztable, nsza, nso2, jphot, table_colair, table_colso2, table_sza) end if !=================================================================== ! initialisation of the reaction indexes !=================================================================== call indice(ok_ionchem, nb_phot_max, nb_reaction_3_max, nb_reaction_4_max) firstcall = .false. end if ! cloud and dust surfaces set to zero for the moment surfice1d(:) = 0. surfdust1d(:) = 0. !=================================================================== ! number densities (molecule.cm-3) !=================================================================== do iz = 1,nz conc(iz) = p(iz)/(1.38E-19*t(iz)) c(iz,:) = tr(iz,:)*conc(iz) end do !=================================================================== ! photodissociations !=================================================================== ! dist_sol : sun-venus distance (au) dist_sol = 0.72333 if (ok_jonline) then if (sza_input <= 95.) then ! day at 300 km call photolysis_online(nz, nb_phot_max, zlocal, p, & t, mumean, i_co2,i_co, i_o, i_o1d, & i_o2, i_o3, i_h2, i_oh, i_ho2, i_h2o2, i_h2o,& i_h, i_hcl, i_cl2, i_hocl, i_so2, i_so, & i_so3, i_s2, i_clo, i_ocs, i_cocl2, i_h2so4, & i_cl, i_no2, i_no, i_n2, i_n2d, & nesp, tr, sza_input, dist_sol, v_phot) !Calculation of photoionization rates, if needed if (ok_ionchem) then do iz = 1,nz c_euv(iz,:) = vmr_dens_euv(iz,:)*conc(iz) end do !! FAIRE ULTRA ATTENTION LE c_euv et vmr_dens_euv NE SONT PAS DANS LE MEME REGIME !! DE i_ESPECE QUE C, CNEW, COLD et TR call jthermcalc_e107(ig,nz,2,c_euv,nespeuv,t,zlocal,sza_input) do iz=1,nz call phdisrate(ig,nz,2,sza_input,iz) end do !CO2 photoionization v_phot(:,nphot+ 1) = jion(induv_co2,:,1) v_phot(:,nphot+ 2) = jion(induv_co2,:,2) v_phot(:,nphot+ 3) = jion(induv_co2,:,2) v_phot(:,nphot+ 4) = jion(induv_co2,:,3) v_phot(:,nphot+ 5) = jion(induv_co2,:,3) v_phot(:,nphot+ 6) = jion(induv_co2,:,4) v_phot(:,nphot+ 7) = jion(induv_co2,:,4) !O2 photoionization v_phot(:,nphot+ 8) = jion(induv_o2,:,1) !O photoionization v_phot(:,nphot+ 9) = jion(induv_o,:,1) !NO photoionization v_phot(:,nphot+10) = jion(induv_no,:,1) !CO photoionization v_phot(:,nphot+11) = jion(induv_co,:,1) v_phot(:,nphot+12) = jion(induv_co,:,2) v_phot(:,nphot+13) = jion(induv_co,:,2) !N2 photoionization v_phot(:,nphot+14) = jion(induv_n2,:,1) v_phot(:,nphot+15) = jion(induv_n2,:,2) v_phot(:,nphot+16) = jion(induv_n2,:,2) !N photoionization v_phot(:,nphot+17) = jion(induv_n,:,1) !H photoionization v_phot(:,nphot+18) = jion(induv_h,:,1) end if else ! night v_phot(:,:) = 0. end if else call phot(nj, nztable, nsza, nso2, sza_input, dist_sol, mumean, tr(:,i_co2), tr(:,i_so2), & jphot, table_colair, table_colso2, table_sza, nz, nb_phot_max, t, p, v_phot) end if !=================================================================== ! reaction rates !=================================================================== call krates(hetero_ice,hetero_dust,ok_ionchem, nphotion, nz, nesp, c, conc, t, t_elect, p, nb_phot_max, nb_reaction_3_max, & nb_reaction_4_max, tuneupperatm, v_3, v_4, v_phot, sza_input, ind_norec, ind_orec) !=================================================================== ! ctimestep : standard chemical timestep (s), defined as ! the fraction phychemrat of the physical timestep !=================================================================== phychemrat = 1 ctimestep = ptimestep/real(phychemrat) !=================================================================== ! loop over levels !=================================================================== do iz = 1,nz ! initializations time = 0. iter(iz) = 0 dt_guess = ctimestep cold(:) = c(iz,:) ! internal loop for the chemistry do while (time < ptimestep) iter(iz) = iter(iz) + 1 ! first-guess: fill matrix call fill_matrix(iz, mat1, prod, loss, lossconc, c, nesp, nz, & nb_reaction_3_max, nb_reaction_4_max, nb_phot_max, & v_phot, v_3, v_4) ! adaptative evaluation of the sub time step call define_dt(nesp, dt_corrected, dt_guess, ctimestep, cold(:), c(iz,:), & mat1, prod, loss, conc(iz), lon, lat) if (time + dt_corrected > ptimestep) then dt_corrected = ptimestep - time end if ! form the matrix identity + mat*dt_corrected mat(:,:) = mat1(:,:)*dt_corrected do iesp = 1,nesp mat(iesp,iesp) = 1. + mat(iesp,iesp) end do ! solve the linear system M*Cn+1 = Cn (RHS in cnew, then replaced by solution) cnew(:) = c(iz,:) #ifdef LAPACK call dgesv(nesp,1,mat,nesp,indx,cnew,nesp,code) #else write(*,*) "photochemistry error, missing LAPACK routine dgesv" stop #endif ! eliminate small values where (cnew(:)/conc(iz) < 1.e-30) cnew(:) = 0. end where ! update concentrations cold(:) = c(iz,:) c(iz,:) = cnew(:) cnew(:) = 0. ! force charge neutrality (mod fgg, july 2019) if (ok_ionchem) then if(c(iz,i_elec).ne.c(iz,i_co2plus)+c(iz,i_oplus)+c(iz,i_o2plus)+ & c(iz,i_noplus)+c(iz,i_coplus)+c(iz,i_cplus)+c(iz,i_n2plus)+ & c(iz,i_nplus)+c(iz,i_hplus)+c(iz,i_hco2plus)+ & c(iz,i_hcoplus)+c(iz,i_h2oplus)+c(iz,i_h3oplus)+ & c(iz,i_ohplus)) then c(iz,i_elec) = c(iz,i_co2plus)+c(iz,i_oplus)+c(iz,i_o2plus)+ & c(iz,i_noplus)+c(iz,i_coplus)+c(iz,i_cplus)+ & c(iz,i_n2plus)+c(iz,i_nplus)+c(iz,i_hplus)+ & c(iz,i_hco2plus)+c(iz,i_hcoplus)+c(iz,i_h2oplus)+ & c(iz,i_h3oplus)+c(iz,i_ohplus) ! write(*,*)'photochemistry/359' ! write(*,*)'Forcing charge neutrality at ilev,',ilev,' ig=',ig end if end if ! increment internal time time = time + dt_corrected dt_guess = dt_corrected ! first-guess timestep for next iteration end do ! while (time < ptimestep) ! save mixing ratios tr(iz,:) = max(c(iz,:)/conc(iz), 1.e-30) ! save production and loss terms (for diagnostic only) prod_tr(iz,:) = prod(:) loss_tr(iz,:) = lossconc(:) end do ! end of loop over vertical levels ! no and o2(delta) emissions em_no(:) = c(:,i_o)*c(:,i_n)*v_4(:,ind_norec) !2.8e-17*(300./temp(:)))**0.5 em_o2(:) = c(:,i_o2dg)/4470. ! 4470 s : lafferty et al., 1998 end subroutine photochemistry_venus !====================================================================== subroutine init_chimie(nj, nztable, nsza, nso2, jphot, table_colair, & table_colso2, table_sza) !====================================================================== implicit none ! photolysis lookup table integer, INTENT(IN) :: nj, nztable, nsza, nso2 real, INTENT(OUT), dimension(nso2,nsza,nztable,nj) :: jphot real, INTENT(OUT), dimension(nztable) :: table_colair real, INTENT(OUT), dimension(nso2,nztable) :: table_colso2 real, INTENT(OUT), dimension(nsza) :: table_sza integer :: iz, isza, iozo, iso2, ij character(len=44) :: jvenus ! lecture de la table des j jphot(:,:,:,:) = 0. jvenus = 'jvenus.dat' open(30, form = 'formatted', status = 'old', file = jvenus) print*,'lecture de jvenus = ', jvenus do iso2 = 1,nso2 do isza = 1,nsza do iz = nztable,1,-1 read(30,*) table_colair(iz), table_colso2(iso2,iz), table_sza(isza) read(30,'(7e11.4)') (jphot(iso2,isza,iz,ij), ij = 1,nj) do ij = 1,nj if (jphot(iso2,isza,iz,ij) == 1.E-30) then jphot(iso2,isza,iz,ij) = 0. end if end do end do end do end do close(30) print*,'lecture de la table des j ok.' end subroutine init_chimie !====================================================================== subroutine indice(ok_ionchem, nb_phot_max, nb_reaction_3_max, nb_reaction_4_max) !================================================================ ! set the "indice" arrays used to fill the jacobian matrix ! !---------------------------------------------------------------- ! reaction type array ! !---------------------------------------------------------------- ! A + hv --> B + C photolysis indice_phot ! ! A + B --> C + D bimolecular indice_4 ! ! A + A --> B + C quadratic indice_3 ! ! A + C --> B + C quenching indice_phot ! ! A + ice --> B + C heterogeneous indice_phot ! !================================================================ use types_asis use chemparam_mod implicit none ! input integer, intent(in) :: nb_reaction_3_max ! number of quadratic reactions integer, intent(in) :: nb_reaction_4_max ! number of bimolecular reactions integer, intent(in) :: nb_phot_max ! number of processes treated numerically as photodissociations logical, intent(in) :: ok_ionchem ! True: Ion reaction ! local integer :: nb_phot, nb_reaction_3, nb_reaction_4 integer :: i_dummy allocate (indice_phot(nb_phot_max)) allocate (indice_3(nb_reaction_3_max)) allocate (indice_4(nb_reaction_4_max)) i_dummy = 1 nb_phot = 0 nb_reaction_3 = 0 nb_reaction_4 = 0 !=========================================================== ! O2 + hv -> O + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o2, 2.0, i_o, 0.0, i_dummy) !=========================================================== ! O2 + hv -> O + O(1D) !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o2, 1.0, i_o, 1.0, i_o1d) !=========================================================== ! CO2 + hv -> CO + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_co2, 1.0, i_co, 1.0, i_o) !=========================================================== ! CO2 + hv -> CO + O(1D) !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_co2, 1.0, i_co, 1.0, i_o1d) !=========================================================== ! O3 + hv -> O2(Dg) + O(1D) !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o3, 1.0, i_o2dg, 1.0, i_o1d) !=========================================================== ! O3 + hv -> O2 + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o3, 1.0, i_o2, 1.0, i_o) !=========================================================== ! H2 + hv -> H + H !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h2, 2.0, i_h, 0.0, i_dummy) !=========================================================== ! H2O + hv -> H + OH !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h2o, 1.0, i_h, 1.0, i_oh) !=========================================================== ! HO2 + hv -> OH + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_ho2, 1.0, i_oh, 1.0, i_o) !=========================================================== ! H2O2 + hv -> OH + OH !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h2o2, 2.0, i_oh, 0.0, i_dummy) !=========================================================== ! HCl + hv -> H + Cl !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_hcl, 1.0, i_h, 1.0, i_cl) !=========================================================== ! Cl2 + hv -> Cl + Cl !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_cl2, 2.0, i_cl, 0.0, i_dummy) !=========================================================== ! HOCl + hv -> OH + Cl !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_hocl, 1.0, i_oh, 1.0, i_cl) !=========================================================== ! SO2 + hv -> SO + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_so2, 1.0, i_so, 1.0, i_o) !=========================================================== ! SO + hv -> S + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_so, 1.0, i_s, 1.0, i_o) !=========================================================== ! SO3 + hv -> SO2 + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_so3, 1.0, i_so2, 1.0, i_o) !=========================================================== ! S2 + hv -> S + S !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_s2, 2.0, i_s, 0.0, i_dummy) !=========================================================== ! ClO + hv -> Cl + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_clo, 1.0, i_cl, 1.0, i_o) !=========================================================== ! OCS + hv -> CO + S !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_ocs, 1.0, i_co, 1.0, i_s) !=========================================================== ! COCl2 + hv -> Cl + Cl + CO !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_cocl2, 2.0, i_cl, 1.0, i_co) !=========================================================== ! H2SO4 + hv -> SO3 + H2O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h2so4, 1.0, i_so3, 1.0, i_h2o) !=========================================================== ! NO2 + hv -> NO + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_no2, 1.0, i_no, 1.0, i_o) !=========================================================== ! NO + hv -> N + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_no, 1.0, i_n, 1.0, i_o) !=========================================================== ! N2 + hv -> N(2D) + N !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_n2, 1.0, i_n, 1.0, i_n2d) !Only if ion chemistry included if (ok_ionchem) then !=========================================================== ! CO2 + hv -> CO2+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_co2, 1.0, i_co2plus, 1.0, i_elec) !=========================================================== ! CO2 + hv -> O+ + CO + e- !=========================================================== !We divide this reaction in two !0.5 CO2 + hv -> CO nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co2, 1.0, i_co, 0.0, i_dummy) !0.5 CO2 + hv -> O+ + e- nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co2, 1.0, i_oplus, 1.0, i_elec) !=========================================================== ! CO2 + hv -> CO+ + O + e- !=========================================================== !We divide this reaction in two !0.5 CO2 + hv -> O nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co2, 1.0, i_o, 0.0, i_dummy) !0.5 CO2 + hv -> CO+ + e- nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co2, 1.0, i_coplus, 1.0, i_elec) !=========================================================== ! CO2 + hv -> C+ + O2 + e- !=========================================================== !We divide this reaction in two !0.5 CO2 + hv -> O2 nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co2, 1.0, i_o2, 0.0, i_dummy) !0.5 CO2 + hv -> C+ + e- nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co2, 1.0, i_cplus, 1.0, i_elec) !=========================================================== ! O2 + hv -> O2+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o2, 1.0, i_o2plus, 1.0, i_elec) !=========================================================== ! O + hv -> O+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o, 1.0, i_oplus, 1.0, i_elec) !=========================================================== ! NO + hv -> NO+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_no, 1.0, i_noplus, 1.0, i_elec) !=========================================================== ! CO + hv -> CO+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_co, 1.0, i_coplus, 1.0, i_elec) !=========================================================== ! CO + hv -> C+ + O + e- !=========================================================== !We divide this reaction in two !0.5 CO + hv -> O nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co, 1.0, i_o, 0.0, i_dummy) !0.5 CO + hv -> C+ + e- nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_co, 1.0, i_cplus, 1.0, i_elec) !=========================================================== ! N2 + hv -> N2+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_n2, 1.0, i_n2plus, 1.0, i_elec) !=========================================================== ! N2 + hv -> N+ + N + e- !=========================================================== !We divide this reaction in two !0.5 N2 + hv -> N nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_n2, 1.0, i_n, 0.0, i_dummy) !0.5 N2 + hv -> N+ + e- nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(0.5, i_n2, 1.0, i_nplus, 1.0, i_elec) !=========================================================== ! N + hv -> N+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_n, 1.0, i_nplus, 1.0, i_elec) !=========================================================== ! H + hv -> H+ + e- !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h, 1.0, i_hplus, 1.0, i_elec) end if !ok_ionchem !=========================================================== ! a001 : O + O2 + (CO2 or M) -> O3 + (CO2 or M) !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o, 1.0, i_o2, 1.0, i_o3, 0.0, i_dummy) !=========================================================== ! a002 : O + O + (CO2 or M) -> O2(Dg) + (CO2 or M) !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_o, 1.0, i_o2dg, 0.0, i_dummy) !=========================================================== ! a003 : O + O3 -> O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o, 1.0, i_o3, 2.0, i_o2, 0.0, i_dummy) !=========================================================== ! b001 : O(1D) + CO2 -> O + CO2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o1d, 1.0, i_o, 0.0, i_dummy) !=========================================================== ! b002 : O(1D) + H2O -> OH + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o1d, 1.0, i_h2o, 2.0, i_oh, 0.0, i_dummy) !=========================================================== ! b003 : O(1D) + H2 -> OH + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o1d, 1.0, i_h2, 1.0, i_oh, 1.0, i_h) !=========================================================== ! b004 : O(1D) + O2 -> O + O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o1d, 1.0, i_o, 0.0, i_dummy) !=========================================================== ! b005 : O(1D) + O3 -> O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o1d, 1.0, i_o3, 2.0, i_o2, 0.0, i_dummy) !=========================================================== ! b006 : O(1D) + O3 -> O2 + O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o1d, 1.0, i_o3, 1.0, i_o2, 2.0, i_o) !=========================================================== ! c001 : O + HO2 -> OH + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o, 1.0, i_ho2, 1.0, i_oh, 1.0, i_o2) !=========================================================== ! c002 : O + OH -> O2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o, 1.0, i_oh, 1.0, i_o2, 1.0, i_h) !=========================================================== ! c003 : H + O3 -> OH + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h, 1.0, i_o3, 1.0, i_oh, 1.0, i_o2) !=========================================================== ! c004 : H + HO2 -> OH + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h, 1.0, i_ho2, 2.0, i_oh, 0.0, i_dummy) !=========================================================== ! c005 : H + HO2 -> H2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h, 1.0, i_ho2, 1.0, i_h2, 1.0, i_o2) !=========================================================== ! c006 : H + HO2 -> H2O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h, 1.0, i_ho2, 1.0, i_h2o, 1.0, i_o) !=========================================================== ! c007 : OH + HO2 -> H2O + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oh, 1.0, i_ho2, 1.0, i_h2o, 1.0, i_o2) !=========================================================== ! c008 : HO2 + HO2 -> H2O2 + O2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_ho2, 1.0, i_h2o2, 1.0, i_o2) !=========================================================== ! c009 : OH + H2O2 -> H2O + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oh, 1.0, i_h2o2, 1.0, i_h2o, 1.0, i_ho2) !=========================================================== ! c010 : OH + H2 -> H2O + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oh, 1.0, i_h2, 1.0, i_h2o, 1.0, i_h) !=========================================================== ! c011 : H + O2 + CO2 -> HO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h, 1.0, i_o2, 1.0, i_ho2, 0.0, i_dummy) !=========================================================== ! c012 : O + H2O2 -> OH + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o, 1.0, i_h2o2, 1.0, i_oh, 1.0, i_ho2) !=========================================================== ! c013 : OH + OH -> H2O + O !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_oh, 1.0, i_h2o, 1.0, i_o) !=========================================================== ! c014 : OH + O3 -> HO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oh, 1.0, i_o3, 1.0, i_ho2, 1.0, i_o2) !=========================================================== ! c015 : HO2 + O3 -> OH + O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ho2, 1.0, i_o3, 1.0, i_oh, 2.0, i_o2) !=========================================================== ! c016 : HO2 + HO2 + CO2 -> H2O2 + O2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_ho2, 1.0, i_h2o2, 1.0, i_o2) !=========================================================== ! c017 : OH + OH + CO2 -> H2O2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_oh, 1.0, i_h2o2, 0.0, i_dummy) !=========================================================== ! c018 : H + H + CO2 -> H2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_h, 1.0, i_h2, 0.0, i_dummy) !=========================================================== ! d001 : NO2 + O -> NO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_no2, 1.0, i_o, 1.0, i_no, 1.0, i_o2) !=========================================================== ! d002 : NO + O3 -> NO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_no, 1.0, i_o3, 1.0, i_no2, 1.0, i_o2) !=========================================================== ! d003 : NO + HO2 -> NO2 + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_no, 1.0, i_ho2, 1.0, i_no2, 1.0, i_oh) !=========================================================== ! d004 : N + NO -> N2 + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n, 1.0, i_no, 1.0, i_n2, 1.0, i_o) !=========================================================== ! d005 : N + O2 -> NO + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n, 1.0, i_o2, 1.0, i_no, 1.0, i_o) !=========================================================== ! d006 : NO2 + H -> NO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_no2, 1.0, i_h, 1.0, i_no, 1.0, i_oh) !=========================================================== ! d007 : N + O -> NO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n, 1.0, i_o, 1.0, i_no, 0.0, i_dummy) !=========================================================== ! d008 : N + HO2 -> NO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n, 1.0, i_ho2, 1.0, i_no, 1.0, i_oh) !=========================================================== ! d009 : N + OH -> NO + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n, 1.0, i_oh, 1.0, i_no, 1.0, i_h) !=========================================================== ! d010 : N(2D) + O -> N + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_n2d, 1.0, i_n, 0.0, i_dummy) !=========================================================== ! d011 : N(2D) + N2 -> N + N2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_n2d, 1.0, i_n, 0.0, i_dummy) !=========================================================== ! d012 : N(2D) + CO2 -> NO + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2d, 1.0, i_co2, 1.0, i_no, 1.0, i_co) !=========================================================== ! d013 : N + O + CO2 -> NO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n, 1.0, i_o, 1.0, i_no, 0.0, i_dummy) !=========================================================== ! d014 : N(2D) + CO -> N + CO !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_n2d, 1.0, i_n, 0.0, i_dummy) !=========================================================== ! e001 : CO + OH -> CO2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co, 1.0, i_oh, 1.0, i_co2, 1.0, i_h) !=========================================================== ! e002 : CO + O + M -> CO2 + M !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co, 1.0, i_o, 1.0, i_co2, 0.0, i_dummy) !=========================================================== ! f001 : HCl + O(1D) -> OH + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcl, 1.0, i_o1d, 1.0, i_oh, 1.0, i_cl) !=========================================================== ! f002 : HCl + O(1D) -> H + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcl, 1.0, i_o1d, 1.0, i_h, 1.0, i_clo) !=========================================================== ! f003 : HCl + O -> OH + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcl, 1.0, i_o, 1.0, i_oh, 1.0, i_cl) !=========================================================== ! f004 : HCl + OH -> H2O + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcl, 1.0, i_oh, 1.0, i_h2o, 1.0, i_cl) !=========================================================== ! f005 : ClO + O -> Cl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clo, 1.0, i_o, 1.0, i_cl, 1.0, i_o2) !=========================================================== ! f006 : ClO + OH -> Cl + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clo, 1.0, i_oh, 1.0, i_cl, 1.0, i_ho2) !=========================================================== ! f007 : ClO + OH -> HCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clo, 1.0, i_oh, 1.0, i_hcl, 1.0, i_o2) !=========================================================== ! f008 : Cl + H2 -> HCl + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_h2, 1.0, i_hcl, 1.0, i_h) !=========================================================== ! f009 : Cl + O3 -> ClO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_o3, 1.0, i_clo, 1.0, i_o2) !=========================================================== ! f010 : Cl + HO2 -> ClO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_ho2, 1.0, i_clo, 1.0, i_oh) !=========================================================== ! f011 : Cl + HO2 -> HCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_ho2, 1.0, i_hcl, 1.0, i_o2) !=========================================================== ! f012 : Cl + H2O2 -> HCl + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_h2o2, 1.0, i_hcl, 1.0, i_ho2) !=========================================================== ! f013 : Cl + CO + CO2 -> ClCO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_co, 1.0, i_clco, 0.0, i_dummy) !=========================================================== ! f014 : ClCO + CO2 -> Cl + CO + CO2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_clco, 1.0, i_cl, 1.0, i_co) !=========================================================== ! f015 : ClCO + O2 + CO2 -> ClCO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_o2, 1.0, i_clco3, 0.0, i_dummy) !=========================================================== ! f016 : 0.5 ClCO3 + 0.5 Cl -> Cl ! 0.5 ClCO3 + 0.5 Cl -> ClO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_clco3, 0.5, i_cl, 1.0, i_cl, 0.0, i_dummy) nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_clco3, 0.5, i_cl, 1.0, i_clo, 1.0, i_co2) !=========================================================== ! f017 : 0.5 ClCO3 + 0.5 O -> Cl ! 0.5 ClCO3 + 0.5 O -> O2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_clco3, 0.5, i_o, 1.0, i_cl, 0.0, i_dummy) nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_clco3, 0.5, i_o, 1.0, i_o2, 1.0, i_co2) !=========================================================== ! f018 : ClO + HO2 -> HOCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clo, 1.0, i_ho2, 1.0, i_hocl, 1.0, i_o2) !=========================================================== ! f019 : OH + HOCl -> H2O + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oh, 1.0, i_hocl, 1.0, i_h2o, 1.0, i_clo) !=========================================================== ! f020 : O + HOCl -> OH + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o, 1.0, i_hocl, 1.0, i_oh, 1.0, i_clo) !=========================================================== ! f021 : Cl + Cl + CO2 -> Cl2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_cl, 1.0, i_cl2, 0.0, i_dummy) !=========================================================== ! f022 : ClCO + O -> Cl + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_o, 1.0, i_cl, 1.0, i_co2) !=========================================================== ! f023 : Cl2 + O(1D) -> Cl + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl2, 1.0, i_o1d, 1.0, i_cl, 1.0, i_clo) !=========================================================== ! f024 : Cl2 + H -> HCl + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl2, 1.0, i_h, 1.0, i_hcl, 1.0, i_cl) !=========================================================== ! f025 : Cl + ClCO -> Cl2 + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_clco, 1.0, i_cl2, 1.0, i_co) !=========================================================== ! f026 : ClCO + ClCO -> COCl2 + CO !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_clco, 1.0, i_cocl2, 1.0, i_co) !=========================================================== ! f027 : Cl + SO2 + CO2 -> ClSO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_so2, 1.0, i_clso2, 0.0, i_dummy) !=========================================================== ! f028 : ClSO2 + O -> SO2 + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clso2, 1.0, i_o, 1.0, i_so2, 1.0, i_clo) !=========================================================== ! f029 : ClSO2 + H -> SO2 + HCl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clso2, 1.0, i_h, 1.0, i_so2, 1.0, i_hcl) !=========================================================== ! f030 : ClSO2 + ClSO2 -> Cl2 + SO2 + SO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_clso2, 1.0, i_cl2, 2.0, i_so2) !=========================================================== ! f031 : Cl + O + CO2 -> ClO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_o, 1.0, i_clo, 0.0, i_dummy) !=========================================================== ! f032 : Cl2 + O -> ClO + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl2, 1.0, i_o, 1.0, i_clo, 1.0, i_cl) !=========================================================== ! f033 : ClCO + OH -> HOCl + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_oh, 1.0, i_hocl, 1.0, i_co) !=========================================================== ! f034 : Cl2 + OH -> Cl + HOCl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl2, 1.0, i_oh, 1.0, i_cl, 1.0, i_hocl) !=========================================================== ! f035 : ClCO + O -> CO + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_o, 1.0, i_co, 1.0, i_clo) !=========================================================== ! f036 : ClCO + Cl2 -> COCl2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_cl2, 1.0, i_cocl2, 1.0, i_cl) !=========================================================== ! f037 : HCl + H -> H2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcl, 1.0, i_h, 1.0, i_h2, 1.0, i_cl) !=========================================================== ! f038 : ClCO + H -> HCl + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_h, 1.0, i_hcl, 1.0, i_co) !=========================================================== ! f039 : Cl + H + M -> HCl + M !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cl, 1.0, i_h, 1.0, i_hcl, 0.0, i_dummy) !=========================================================== ! g001 : S + O2 -> SO + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_o2, 1.0, i_so, 1.0, i_o) !=========================================================== ! g002 : S + O3 -> SO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_o3, 1.0, i_so, 1.0, i_o2) !=========================================================== ! g003 : SO + O2 -> SO2 + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_o2, 1.0, i_so2, 1.0, i_o) !=========================================================== ! g004 : SO + O3 -> SO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_o3, 1.0, i_so2, 1.0, i_o2) !=========================================================== ! g005 : SO + OH -> SO2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_oh, 1.0, i_so2, 1.0, i_h) !=========================================================== ! g006 : S + OH -> SO + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_oh, 1.0, i_so, 1.0, i_h) !=========================================================== ! g007 : SO + O + CO2 -> SO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_o, 1.0, i_so2, 0.0, i_dummy) !=========================================================== ! g008 : SO + HO2 -> SO2 + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_ho2, 1.0, i_so2, 1.0, i_oh) !=========================================================== ! g009 : SO2 + O + CO2 -> SO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so2, 1.0, i_o, 1.0, i_so3, 0.0, i_dummy) !=========================================================== ! g010 : S + O + CO2 -> SO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_o, 1.0, i_so, 0.0, i_dummy) !=========================================================== ! g011 : SO3 + H2O -> H2SO4 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so3, 1.0, i_h2o, 1.0, i_h2so4, 0.0, i_dummy) !=========================================================== ! g012 : SO + ClO -> SO2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_clo, 1.0, i_so2, 1.0, i_cl) !=========================================================== ! g013 : SO + SO3 -> SO2 + SO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so, 1.0, i_so3, 2.0, i_so2, 0.0, i_dummy) !=========================================================== ! g014 : SO3 + O -> SO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so3, 1.0, i_o, 1.0, i_so2, 1.0, i_o2) !=========================================================== ! g015 : SO + SO + CO2 -> S2O2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_so, 1.0, i_s2o2, 0.0, i_dummy) !=========================================================== ! g016 : S2O2 + CO2 -> SO + SO + CO2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_s2o2, 2.0, i_so, 0.0, i_dummy) !=========================================================== ! g017 : 0.5 ClCO3 + 0.5 SO -> Cl ! 0.5 ClCO3 + 0.5 SO -> SO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_clco3, 0.5, i_so, 1.0, i_cl, 0.0, i_dummy) nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_clco3, 0.5, i_so, 1.0, i_so2, 1.0, i_co2) !=========================================================== ! g018 : S + CO + CO2 -> OCS + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_co, 1.0, i_ocs, 0.0, i_dummy) !=========================================================== ! g019 : ClCO + S -> OCS + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_clco, 1.0, i_s, 1.0, i_ocs, 1.0, i_cl) !=========================================================== ! g020 : SO2 + OH + CO2 -> HSO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so2, 1.0, i_oh, 1.0, i_hso3, 0.0, i_dummy) !=========================================================== ! g021 : HSO3 + O2 -> HO2 + SO3 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hso3, 1.0, i_o2, 1.0, i_ho2, 1.0, i_so3) !=========================================================== ! g022 : S + S + CO2 -> S2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_s, 1.0, i_s2, 0.0, i_dummy) !=========================================================== ! g023 : S2 + O -> SO + S !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s2, 1.0, i_o, 1.0, i_so, 1.0, i_s) !=========================================================== ! g024 : S + OCS -> S2 + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_ocs, 1.0, i_s2, 1.0, i_co) !=========================================================== ! g025 : OCS + O -> SO + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ocs, 1.0, i_o, 1.0, i_so, 1.0, i_co) !=========================================================== ! g026 : S + SO3 -> SO2 + SO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_so3, 1.0, i_so2, 1.0, i_so) !=========================================================== ! g027 : S + HO2 -> SO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_ho2, 1.0, i_so, 1.0, i_oh) !=========================================================== ! g028 : S + ClO -> SO + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_s, 1.0, i_clo, 1.0, i_so, 1.0, i_cl) !=========================================================== ! g029: h2so4 + h2o -> so3 + h2o + h2o !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h2so4, 1.0, i_so3, 1.0, i_h2o) !=========================================================== ! g030: so3 + ocs -> s2o2 + co2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_so3, 1.0, i_ocs, 1.0, i_s2o2, 1.0, i_co2) !=========================================================== ! g031: s2o2 + ocs -> co + so2 + s2 !=========================================================== ! decomposee en ! 0.5 s2o2 + 0.5 ocs -> co ! 0.5 s2o2 + 0.5 ocs -> so2 + s2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_s2o2, 0.5, i_ocs, 1.0, i_co, 0.0, i_dummy) nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_s2o2, 0.5, i_ocs, 1.0, i_so2, 1.0, i_s2) !=========================================================== ! g032: so + so -> so2 + s !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(nb_reaction_3) = z3spec(2.0, i_so, 1.0, i_so2, 1.0, i_s) !=========================================================== ! h001: HO2 + ice -> products ! treated as ! HO2 -> 0.5 H2O + 0.75 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_ho2, 0.5, i_h2o, 0.75, i_o2) !=========================================================== ! h002: OH + ice -> products ! treated as ! OH -> 0.5 H2O + 0.25 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_oh, 0.5, i_h2o, 0.25, i_o2) !=========================================================== ! h003: H2O2 + ice -> products ! treated as ! H2O2 -> H2O + 0.5 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_h2o2, 1.0, i_h2o, 0.5, i_o2) !Only if ion chemistry if (ok_ionchem) then !=========================================================== ! i001 : CO2+ + O2 -> O2+ + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_o2, 1.0, i_o2plus, 1.0, i_co2) !=========================================================== ! i002 : CO2+ + O -> O+ + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_o, 1.0, i_oplus, 1.0, i_co2) !=========================================================== ! i003 : CO2+ + O -> O2+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_o, 1.0, i_o2plus, 1.0, i_co) !=========================================================== ! i004 : O2+ + e- -> O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o2plus, 1.0, i_elec, 2.0, i_o, 0.0, i_dummy) !=========================================================== ! i005 : O+ + CO2 -> O2+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oplus, 1.0, i_co2, 1.0, i_o2plus, 1.0, i_co) !=========================================================== ! i006 : CO2+ + e -> CO + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_elec, 1.0, i_co, 1.0, i_o) !=========================================================== ! i007 : CO2+ + NO -> NO+ + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_no, 1.0, i_noplus, 1.0, i_co2) !=========================================================== ! i008 : O2+ + NO -> NO+ + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o2plus, 1.0, i_no, 1.0, i_noplus, 1.0, i_o2) !=========================================================== ! i009 : O2+ + N2 -> NO+ + NO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o2plus, 1.0, i_n2, 1.0, i_noplus, 1.0, i_no) !=========================================================== ! i010 : O2+ + N -> NO+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_o2plus, 1.0, i_n, 1.0, i_noplus, 1.0, i_o) !=========================================================== ! i011 : O+ + N2 -> NO+ + N !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oplus, 1.0, i_n2, 1.0, i_noplus, 1.0, i_n) !=========================================================== ! i012 : NO+ + e -> N + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_noplus, 1.0, i_elec, 1.0, i_n, 1.0, i_o) !=========================================================== ! i013 : CO+ + CO2 -> CO2+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_coplus, 1.0, i_co2, 1.0, i_co2plus, 1.0, i_co) !=========================================================== ! i014 : CO+ + O -> O+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_coplus, 1.0, i_o, 1.0, i_oplus, 1.0, i_co) !=========================================================== ! i015 : C+ + CO2 -> CO+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_cplus, 1.0, i_co2, 1.0, i_coplus, 1.0, i_co) !=========================================================== ! i016 : N2+ + CO2 -> CO2+ + N2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2plus, 1.0, i_co2, 1.0, i_co2plus, 1.0, i_n2) !=========================================================== ! i017 : N2+ + O -> NO+ + N !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2plus, 1.0, i_o, 1.0, i_noplus, 1.0, i_n) !=========================================================== ! i018 : N2+ + CO -> CO+ + N2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2plus, 1.0, i_co, 1.0, i_coplus, 1.0, i_n2) !=========================================================== ! i019 : N2+ + e -> N + N !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2plus, 1.0, i_elec, 2.0, i_n, 0.0, i_dummy) !=========================================================== ! i020 : N2+ + O -> O+ + N2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2plus, 1.0, i_o, 1.0, i_oplus, 1.0, i_n2) !=========================================================== ! i021 : N+ + CO2 -> CO2+ + N !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_nplus, 1.0, i_co2, 1.0, i_co2plus, 1.0, i_n) !=========================================================== ! i022 : CO+ + H -> H+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_coplus, 1.0, i_h, 1.0, i_hplus, 1.0, i_co) !=========================================================== ! i023 : O+ + H -> H+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oplus, 1.0, i_h, 1.0, i_hplus, 1.0, i_o) !=========================================================== ! i024 : H+ + O -> O+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hplus, 1.0, i_o, 1.0, i_oplus, 1.0, i_h) !=========================================================== ! i025 : CO2+ + H2 -> HCO2+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_h2, 1.0, i_hco2plus, 1.0, i_h) !=========================================================== ! i026 : HCO2+ + e -> H + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_elec, 1.0, i_h, 1.0, i_co2) !=========================================================== ! i027 : HCO2+ + e -> H + O + CO !=========================================================== !We divide this reaction in two !0.5HCO2+ + 0.5e -> H nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(.5, i_hco2plus, 0.5, i_elec, 1.0, i_h, 0.0, i_dummy) !0.5 HCO2+ + 0.5 e -> O + CO nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_hco2plus, 0.5, i_elec, 1.0, i_o, 1.0, i_co) !=========================================================== ! i029 : HCO2+ + e -> OH + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_elec, 1.0, i_oh, 1.0, i_co) !=========================================================== ! i030 : HCO2+ + e -> H + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_elec, 1.0, i_h, 1.0, i_co2) !=========================================================== ! i031 : HCO2+ + O -> HCO+ + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_o, 1.0, i_hcoplus, 1.0, i_o2) !=========================================================== ! i032 : HCO2+ + CO -> HCO+ + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_co, 1.0, i_hcoplus, 1.0, i_co2) !=========================================================== ! i033 : H+ + CO2 -> HCO+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hplus, 1.0, i_co2, 1.0, i_hcoplus, 1.0, i_o) !=========================================================== ! i034 : CO2+ + H -> HCO+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_h, 1.0, i_hcoplus, 1.0, i_o) !=========================================================== ! i035 : CO+ + H2 -> HCO+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_coplus, 1.0, i_h2, 1.0, i_hcoplus, 1.0, i_h) !=========================================================== ! i036 : HCO+ + e- -> CO + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcoplus, 1.0, i_elec, 1.0, i_co, 1.0, i_h) !=========================================================== ! i037 : CO2+ + H2O -> H2O+ + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_h2o, 1.0, i_h2oplus, 1.0, i_co2) !=========================================================== ! i038 : CO+ + H2O -> H2O+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_coplus, 1.0, i_h2o, 1.0, i_h2oplus, 1.0, i_co) !=========================================================== ! i039 : O+ + H2O -> H2O+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oplus, 1.0, i_h2o, 1.0, i_h2oplus, 1.0, i_o) !=========================================================== ! i040 : N2+ + H2O -> H2O+ + N2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_n2plus, 1.0, i_h2o, 1.0, i_h2oplus, 1.0, i_n2) !=========================================================== ! i041 : N+ + H2O -> H2O+ + N !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_nplus, 1.0, i_h2o, 1.0, i_h2oplus, 1.0, i_n) !=========================================================== ! i042 : H+ + H2O -> H2O+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hplus, 1.0, i_h2o, 1.0, i_h2oplus, 1.0, i_h) !=========================================================== ! i043 : H2O+ + O2 -> O2+ + H2O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_o2, 1.0, i_o2plus, 1.0, i_h2o) !=========================================================== ! i044 : H2O+ + CO -> HCO+ + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_co, 1.0, i_hcoplus, 1.0, i_oh) !=========================================================== ! i045 : H2O+ + O -> O2+ + H2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_o, 1.0, i_o2plus, 1.0, i_h2) !=========================================================== ! i046 : H2O+ + NO -> NO+ + H2O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_no, 1.0, i_noplus, 1.0, i_h2o) !=========================================================== ! i047 : H2O+ + e- -> H + H + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_elec, 2.0, i_h, 1.0, i_o) !=========================================================== ! i048 : H2O+ + e- -> H + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_elec, 1.0, i_h, 1.0, i_oh) !=========================================================== ! i049 : H2O+ + e- -> H2 + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_elec, 1.0, i_h2, 1.0, i_o) !=========================================================== ! i050 : H2O+ + H2O -> H3O+ + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_h2o, 1.0, i_h3oplus, 1.0, i_oh) !=========================================================== ! i051 : H2O+ + H2 -> H3O+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h2oplus, 1.0, i_h2, 1.0, i_h3oplus, 1.0, i_h) !=========================================================== ! i052 : HCO+ + H2O -> H3O+ + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_hcoplus, 1.0, i_h2o, 1.0, i_h3oplus, 1.0, i_co) !=========================================================== ! i053: H3O+ + e -> OH + H + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h3oplus, 1.0, i_elec, 1.0, i_oh, 2.0, i_h) !=========================================================== ! i054: H3O+ + e -> H2O + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h3oplus, 1.0, i_elec, 1.0, i_h2o, 1.0, i_h) !=========================================================== ! i055: H3O+ + e -> HO + H2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_h3oplus, 1.0, i_elec, 1.0, i_oh, 1.0, i_h2) !=========================================================== ! i056: H3O+ + e -> O + H2 + H !=========================================================== !We divide this reaction in two !0.5H3O+ + 0.5e -> O nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_h3oplus, 0.5, i_elec, 1.0, i_o, 0.0, i_dummy) !0.5H3O+ + 0.5e -> H2 + H nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(0.5, i_h3oplus, 0.5, i_elec, 1.0, i_h2, 1.0, i_h) !=========================================================== ! i057: O+ + H2 -> OH+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_oplus, 1.0, i_h2, 1.0, i_ohplus, 1.0, i_h) !=========================================================== ! i058: OH+ + O -> O2+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ohplus, 1.0, i_o, 1.0, i_o2plus, 1.0, i_h) !=========================================================== ! i059: OH+ + CO2 -> HCO2+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ohplus, 1.0, i_co2, 1.0, i_hco2plus, 1.0, i_o) !=========================================================== ! i060: OH+ + CO -> HCO+ + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ohplus, 1.0, i_co, 1.0, i_hcoplus, 1.0, i_o) !=========================================================== ! i061: OH+ + NO -> NO+ + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ohplus, 1.0, i_no, 1.0, i_noplus, 1.0, i_oh) !=========================================================== ! i062: OH+ + H2 -> H2O+ + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ohplus, 1.0, i_h2, 1.0, i_h2oplus, 1.0, i_h) !=========================================================== ! i063: OH+ + O2 -> O2+ + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(nb_reaction_4) = z4spec(1.0, i_ohplus, 1.0, i_o2, 1.0, i_o2plus, 1.0, i_oh) end if !ok_ionchem !=========================================================== ! j001: O2(Dg) + (CO2 or O) -> O2 + (CO2 or O) !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o2dg, 1.0, i_o2, 0.0, i_dummy) !=========================================================== ! j002: O2(Dg) -> O2 + hv !=========================================================== nb_phot = nb_phot + 1 indice_phot(nb_phot) = z3spec(1.0, i_o2dg, 1.0, i_o2, 0.0, i_dummy) !=========================================================== ! check dimensions !=========================================================== print*, 'nb_phot = ', nb_phot print*, 'nb_phot_max = ', nb_phot_max print*, 'nb_reaction_4 = ', nb_reaction_4 print*, 'nb_reaction_4_max = ', nb_reaction_4_max print*, 'nb_reaction_3 = ', nb_reaction_3 print*, 'nb_reaction_3_max = ', nb_reaction_3_max !print*, 'check dimension' if ((nb_phot /= nb_phot_max) .or. & (nb_reaction_3 /= nb_reaction_3_max) .or. & (nb_reaction_4 /= nb_reaction_4_max)) then print*, 'wrong dimensions in indice' stop end if end subroutine indice !=========================================================== subroutine phot(nj, nztable, nsza, nso2, sza_input, dist_sol, mumean, rmco2, rmso2, & jphot, table_colair, table_colso2, table_sza, nz, nb_phot_max, t, p, v_phot) !=========================================================== implicit none #include "clesphys.h" integer, INTENT(IN) :: nz integer, INTENT(IN) :: nj, nztable, nsza, nso2 real, INTENT(IN), dimension(nz) :: t, p real, INTENT(IN), dimension(nz) :: mumean ! [g/mol] real, INTENT(IN), dimension(nso2,nsza,nztable,nj) :: jphot real, INTENT(IN), dimension(nso2,nztable) :: table_colso2 real, INTENT(IN), dimension(nztable) :: table_colair real, INTENT(IN), dimension(nsza) :: table_sza real, INTENT(IN), dimension(nz) :: rmco2, rmso2 real, INTENT(IN) :: sza_input, dist_sol real, dimension(nz,nj) :: j real, dimension(nz) :: coef, col, colso2 real, dimension(nso2) :: colref real, dimension(2,2,2) :: poids real :: cicol, cisza, ciso2 real :: avogadro, gvenus, dp integer :: indcol, indsza, indso2 integer :: isza, iz, i, iso2, ij integer :: nb_phot_max real, dimension(nz,nb_phot_max), INTENT(INOUT) :: v_phot !mugaz = 43.44E-3 avogadro = 6.022E+23 gvenus = 8.87 ! day/night test if (sza_input <= 95.) then ! day ! interpolation in solar zenith angle indsza = nsza - 1 do isza = 1,nsza if (table_sza(isza) >= sza_input) then indsza = min(indsza,isza - 1) indsza = max(indsza, 1) end if end do cisza = (sza_input - table_sza(indsza)) & /(table_sza(indsza + 1) - table_sza(indsza)) ! print*, 'indsza = ', indsza ! print*, 'table_sza = ', table_sza(indsza) ! print*, 'cisza = ', cisza ! co2 and so2 columns coef(nz) = avogadro/(gvenus*mumean(nz)*1.E-3)*1.E-4 col(nz) = coef(nz)*rmco2(nz)*p(nz)*100. colso2(nz) = coef(nz)*rmso2(nz)*p(nz)*100. do iz = nz-1, 1, -1 ! print*,"L2490 new_photochemistry", iz,mumean(iz) dp = (p(iz) - p(iz+1))*100. coef(iz) = avogadro/(gvenus*mumean(iz)*1.E-3)*1.E-4 col(iz) = col(iz+1) + coef(iz)*(rmco2(iz+1) + rmco2(iz))*0.5*dp col(iz) = min(col(iz), table_colair(1)) colso2(iz) = colso2(iz+1) + coef(iz)*(rmso2(iz+1) + rmso2(iz))*0.5*dp colso2(iz) = min(colso2(iz), table_colso2(nso2,1)) end do ! loop over altitude do iz = 1,nz ! interpolation in co2 column indcol = nztable - 1 cicol = 0. do i = 1,nztable-1 if (table_colair(i) < col(iz)) then cicol = (log(col(iz)) - log(table_colair(i))) & /(log(table_colair(i-1)) - log(table_colair(i))) indcol = i - 1 exit end if end do ! interpolation in so2 column ! initialize indso2 and ciso2 in case colref is never larger ! than the gcm so2 column. indso2 = nso2 - 1 ciso2 = 1. ! search for the index indso2 between which interpolate do iso2 = 1,nso2 colref(iso2) = cicol*table_colso2(iso2,indcol) & + (1.-cicol)*table_colso2(iso2,indcol+1) if (colref(iso2) > colso2(iz)) then ciso2 = (colso2(iz) - colref(iso2-1)) & /(colref(iso2) - colref(iso2-1)) indso2 = iso2 - 1 exit end if end do ! 4-dimensional interpolation weights ! poids(so2,sza_input,co2) poids(1,1,1) = (1.-ciso2)*(1.-cisza)* cicol poids(1,1,2) = (1.-ciso2)*(1.-cisza)*(1.-cicol) poids(1,2,1) = (1.-ciso2)* cisza * cicol poids(1,2,2) = (1.-ciso2)* cisza *(1.-cicol) poids(2,1,1) = ciso2 *(1.-cisza)* cicol poids(2,1,2) = ciso2 *(1.-cisza)*(1.-cicol) poids(2,2,1) = ciso2 * cisza * cicol poids(2,2,2) = ciso2 * cisza *(1.-cicol) ! 4-dimensional interpolation in the lookup table do ij = 1,nj j(iz,ij) = & poids(1,1,1)*jphot(indso2 ,indsza ,indcol ,ij) & + poids(1,1,2)*jphot(indso2 ,indsza ,indcol+1,ij) & + poids(1,2,1)*jphot(indso2 ,indsza+1,indcol ,ij) & + poids(1,2,2)*jphot(indso2 ,indsza+1,indcol+1,ij) & + poids(2,1,1)*jphot(indso2+1,indsza ,indcol ,ij) & + poids(2,1,2)*jphot(indso2+1,indsza ,indcol+1,ij) & + poids(2,2,1)*jphot(indso2+1,indsza+1,indcol ,ij) & + poids(2,2,2)*jphot(indso2+1,indsza+1,indcol+1,ij) end do end do ! end of loop over altitude else ! night j(:,:) = 0. end if ! photodissociation rates numbering in the lookup table ! 1 o2 + hv -> o + o ! 2 o2 + hv -> o + o(1d) ! 3 co2 + hv -> co + o ! 4 co2 + hv -> co + o(1d) ! 5 o3 + hv -> o2(Dg) + o(1d) ! 6 o3 + hv -> o2 + o ! 7 h2o + hv -> h + oh ! 8 ho2 + hv -> oh + o ! 9 h2o2 + hv -> oh + oh ! 10 hcl + hv -> h + cl ! 11 cl2 + hv -> cl + cl ! 12 hocl + hv -> oh + cl ! 13 so2 + hv -> so + o ! 14 so + hv -> s + o ! 15 so3 + hv -> so2 + o ! 16 clo + hv -> cl + o ! 17 ocs + hv -> co + s ! 18 cocl2 + hv -> cl + cl + co ! 19 h2so4 + hv -> so3 + h2o ! 20 no2 + hv -> no + o ! 21 no + hv -> n + o ! 22 n2 + hv -> n + n ! fill v_phot array do ij = 1,nj v_phot(:,ij) = j(:,ij) end do !!! TEST: artificial increase of CO2 photodissociation if (tuneupperatm) then !-- TuneA ! v_phot(65:78,4) = v_phot(65:78,4)*10. ! v_phot(60:64,4) = v_phot(60:64,4)*3. ! v_phot(55:59,3) = v_phot(55:59,3)*2. !-- !-- TuneB ! v_phot(65:78,4) = v_phot(65:78,4)*10. ! v_phot(55:59,3) = v_phot(55:59,3)*5. !-- !-- TuneC ! VCD 1.1 tuning ! v_phot(65:78,4) = v_phot(65:78,4)*10. ! v_phot(52:59,3) = v_phot(52:59,3)*5. !-- !-- TuneE ! VCD 2.0 tuning v_phot(65:nz,4) = v_phot(65:nz,4)*10. ! CO2 + hv ==> O(1D) + CO !-- ! v_phot(:,4) = v_phot(:,4)*10. !do ij=3,4 ! v_phot(:,ij) = v_phot(:,ij)*10. !end do endif !!!!!!!!!!!!!!! !PRINT*,'sza_input: ',sza_input !IF (sza_input.le.40.5 .AND. sza_input.gt.39.5) THEN !open(200, form = 'formatted') !100 format(e20.6) !write(200,100)(v_phot(:,19)) !stop !END IF end subroutine phot !====================================================================== subroutine krates(hetero_ice,hetero_dust,ok_ionchem, nphotion, & nz, nesp, c, conc, t, t_elect, p, & nb_phot_max, nb_reaction_3_max, nb_reaction_4_max, & tuneupperatm, v_3, v_4, v_phot,sza_input, & ind_norec, ind_orec) !================================================================ ! compute reaction rates ! !---------------------------------------------------------------- ! reaction type array ! !---------------------------------------------------------------- ! A + B --> C + D bimolecular v_4 ! ! A + A --> B + C quadratic v_3 ! ! A + C --> B + C quenching v_phot ! ! A + ice --> B + C heterogeneous v_phot ! !================================================================ USE chemparam_mod USE photolysis_mod, only : nphot implicit none !---------------------------------------------------------------------- ! input !---------------------------------------------------------------------- integer, INTENT(IN) :: nesp, nz real, INTENT(IN) :: sza_input ! [degree] real, INTENT(IN), dimension(nz) :: t_elect, t, p, conc logical, INTENT(IN) :: hetero_ice, hetero_dust, tuneupperatm real, INTENT(IN), dimension(nz,nesp) :: c integer, intent(in) :: nb_reaction_3_max ! number of quadratic reactions integer, intent(in) :: nb_reaction_4_max ! number of bimolecular reactions integer, intent(in) :: nb_phot_max ! number of reactions treated numerically as photodissociations integer, intent(in) :: nphotion ! number of photoionizations logical, intent(in) :: ok_ionchem ! if .true. then ionchem reaction used !---------------------------------------------------------------------- ! output !---------------------------------------------------------------------- real (kind = 8), dimension(nz, nb_phot_max) :: v_phot real (kind = 8), dimension(nz, nb_reaction_3_max) :: v_3 real (kind = 8), dimension(nz, nb_reaction_4_max) :: v_4 integer :: ind_norec integer :: ind_orec !---------------------------------------------------------------------- ! local !---------------------------------------------------------------------- integer :: iz real :: ak0, ak1, xpo, rate, rate1, rate2, pi, gam, epsil real :: k1a0, k1b0, k1ainf, k1a, k1b, k0, kinf, kf, kint, kca, fc, fx, x, y integer :: nb_phot, nb_reaction_3, nb_reaction_4 real, dimension(nz) :: surfice1d, surfdust1d real, dimension(nz) :: deq real, dimension(nz) :: a001, a002, a003, & b001, b002, b003, b004, b005, b006, b007, & b008, b009, & c001, c002, c003, c004, c005, c006, c007, & c008, c009, c010, c011, c012, c013, c014, & c015, c016, c017, c018, & d001, d002, d003, d004, d005, d006, d007, & d008, d009, d010, d011, d012, d013, d014, & e001, e002, e003, e004, e005, e006, e007, & e008, e009, e010, e011, e012, e013, e014, & e015, e016, e017, e018, e019, e020, e021, & e022, e023, e024, e025, e026, e027, e028, & e029, e030, e031, e032, e033, e034, e035, & e036, e037, e038, e039, e040, e041, e042, & e043, & f001, f002, f003, f004, f005, f006, f007, & f008, f009, f010, f011, f012, f013, f014, & f015, f016, f017, f018, f019, f020, f021, & f022, f023, f024, f025, f026, f027, f028, & f029, f030, f031, f032, f033, f034, f035, & f036, f037, f038, f039, & g001, g002, g003, g004, g005, g006, g007, & g008, g009, g010, g011, g012, g013, g014, & g015, g016, g017, g018, g019, g020, g021, & g022, g023, g024, g025, g026, g027, g028, & g029, g030, g031, g032, & h001, h002, h003, & i001, i002, i003, i004, i005, i006, & i007, i008, i009, i010, i011, i012, & i013, i014, i015, i016, i017, i018, i019, & i020, i021, i022, i023, i024, i025, i026, & i027, i028, i029, i030, i031, i032, i033, & i034, i035, i036, i037, i038, i039, i040, & i041, i042, i043, i044, i045, i046, i047, & i048, i049, i050, i051, i052, i053, i054, & i055, i056, i057, i058, i059, i060, i061, & i062, i063, & j001, j002 !---------------------------------------------------------------------- ! initialisation !---------------------------------------------------------------------- pi = acos(-1.) nb_phot = nphot + nphotion ! initialised to the number of photolysis + number of photoionization rates nb_reaction_3 = 0 nb_reaction_4 = 0 !---------------------------------------------------------------------- ! reactions avec ox !---------------------------------------------------------------------- !--- a001: o + o2 + m -> o3 + m ! jpl 2019 ! co2/n2 efficiency as a third body = 2.075 ! from sehested et al., j. geophys. res., 100, 1995. a001(:) = 6.1e-34*(t(:)/298.)**(-2.4) & *(2.075*c(:,i_co2) + 1.0*(conc(:) - c(:,i_co2))) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = a001(:) !--- a002: o + o + m -> o2(delta_g) + m ! baulch et al., 1976 (confirmed by smith and robertson, 2008) ! epsil : net effective yield epsil = 0.75 ! (crisp et al., 1996; krasnopolsky, 1991) a002(:) = 2.76e-34*exp(720./t(:)) & *(2.5*c(:,i_co2) + 1.0*(conc(:) - c(:,i_co2)))*epsil nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = a002(:) ind_orec = nb_reaction_3 !--- a003: o + o3 -> o2 + o2 ! jpl 2003 a003(:) = 8.0E-12*exp(-2060./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = a003(:) !---------------------------------------------------------------------- ! reactions avec o(1d) !---------------------------------------------------------------------- !--- b001: o(1d) + co2 -> o + co2 ! jpl 2006 b001(:) = 7.5E-11*exp(115./t(:)) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = b001(:)*c(:,i_co2) !--- b002: o(1d) + h2o -> oh + oh ! jpl 2006 b002(:) = 1.63E-10*exp(60./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = b002(:) !--- b003: o(1d) + h2 -> oh + h ! jpl 2011 b003(:) = 1.2E-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = b003(:) !--- b004: o(1d) + o2 -> o + o2 ! jpl 2006 b004(:) = 3.3E-11*exp(55./t(:)) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = b004(:)*c(:,i_o2) !--- b005: o(1d) + o3 -> o2 + o2 ! jpl 2003 b005(:) = 1.2E-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = b005(:) !--- b006: o(1d) + o3 -> o2 + o + o ! jpl 2003 b006(:) = 1.2E-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = b006(:) !---------------------------------------------------------------------- ! reactions des hox !---------------------------------------------------------------------- !--- c001: o + ho2 -> oh + o2 ! jpl 2003 c001(:) = 3.0E-11*exp(200./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c001(:) !--- c002: o + oh -> o2 + h ! jpl 2011 c002(:) = 1.8E-11*exp(180./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c002(:) !--- c003: h + o3 -> oh + o2 ! jpl 2003 c003(:) = 1.4E-10*exp(-470./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c003(:) !--- c004: h + ho2 -> oh + oh ! jpl 2006 c004(:) = 7.2E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c004(:) !--- c005: h + ho2 -> h2 + o2 ! jpl 2006 c005(:) = 6.9E-12 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c005(:) !--- c006: h + ho2 -> h2o + o ! jpl 2006 c006(:) = 1.6E-12 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c006(:) !--- c007: oh + ho2 -> h2o + o2 ! jpl 2003 c007(:) = 4.8E-11*exp(250./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c007(:) !--- c008: ho2 + ho2 -> h2o2 + o2 ! jpl 2015 c008(:) = 3.0E-13*exp(460./t(:)) ! christensen et al., grl, 13, 2002 ! c008(:) = 1.5E-12*exp(19./t(:)) nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = c008(:) !--- c009: oh + h2o2 -> h2o + ho2 ! jpl 2006 c009(:) = 1.8E-12 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c009(:) !--- c010: oh + h2 -> h2o + h ! jpl 2006 c010(:) = 2.8E-12*exp(-1800./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c010(:) !--- c011: h + o2 + co2 -> ho2 + co2 ! jpl 2006 ! do iz = 1,nz ! ak0 = 2.5*4.4E-32*(t(iz)/300.)**(-1.3) ! ak1 = 4.7E-11*(t(iz)/300.)**(-0.2) ! rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) ! xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) ! c011(iz) = rate*0.6**xpo ! end do ! jpl 2019 do iz = 1,nz ak0 = 2.4*5.3e-32*(t(iz)/298.)**(-1.8) ak1 = 9.5e-11*(t(iz)/298.)**(0.4) rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) c011(iz) = rate*0.6**xpo end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c011(:) !--- c012: o + h2o2 -> oh + ho2 ! jpl 2003 c012(:) = 1.4E-12*exp(-2000./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c012(:) !--- c013: oh + oh -> h2o + o ! jpl 2006 c013(:) = 1.8E-12 nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = c013(:) !--- c014: oh + o3 -> ho2 + o2 ! jpl 2003 c014(:) = 1.7E-12*exp(-940./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c014(:) !--- c015: ho2 + o3 -> oh + o2 + o2 ! jpl 2003 c015(:) = 1.0E-14*exp(-490./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = c015(:) !--- c016: ho2 + ho2 + co2 -> h2o2 + o2 + co2 ! jpl 2011 c016(:) = 2.5*2.1E-33*exp(920./t(:))*conc(:) nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = c016(:) !--- c017: oh + oh + co2 -> h2o2 + co2 ! jpl 2003 do iz = 1,nz ak0 = 2.5*6.9E-31*(t(iz)/300.)**(-1.0) ak1 = 2.6E-11*(t(iz)/300.)**(0.0) rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) c017(iz) = rate*0.6**xpo end do nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = c017(:) !--- c018: h + h + co2 -> h2 + co2 ! baulch et al., 2005 c018(:) = 2.5*1.8E-30*(t(:)**(-1.0))*conc(:) nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = c018(:) !---------------------------------------------------------------------- ! reactions des composes azotes !---------------------------------------------------------------------- !--- d001: no2 + o -> no + o2 ! jpl 2006 ! d001(:) = 5.1e-12*exp(210./t(:)) ! jpl 2019 ! For the sake of simplicity, it is assumed that the association ! yield (kf) gives the same product as the chemical activation yield ! (kca). Thus the only products are no + o2. There is no production ! of no3. do iz = 1,nz ! association k0 = 2.5*3.4e-31*(298./t(iz))**(1.6) kinf = 2.3e-11*(298./t(iz))**(0.2) kf = (kinf*k0*conc(iz)/(kinf + k0*conc(iz))) & *0.6**(1. + (log10(k0*conc(iz)/kinf))**2.)**(-1.0) ! chemical acitvation kint = 5.3e-12*exp(200./t(iz)) kca = kint*(1. - kf/kinf) ! total : association + chemical activation d001(iz) = kf + kca end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d001(:) !--- d002: no + o3 -> no2 + o2 ! jpl 2006 d002(:) = 3.0e-12*exp(-1500./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d002(:) !--- d003: no + ho2 -> no2 + oh ! jpl 2011 ! d003(:) = 3.3e-12*exp(270./t(:)) ! jpl 2019 d003(:) = 3.44e-12*exp(270./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d003(:) !--- d004: n + no -> n2 + o ! jpl 2011 d004(:) = 2.1e-11*exp(100./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d004(:) !--- d005: n + o2 -> no + o ! jpl 2011 ! d005(:) = 1.5e-11*exp(-3600./t(:)) ! jpl 2019 d005(:) = 3.3e-12*exp(-3150./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d005(:) !--- d006: no2 + h -> no + oh ! jpl 2011 ! d006(:) = 4.0e-10*exp(-340./t(:)) ! jpl 2019 d006(:) = 1.35e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d006(:) !--- d007: n + o -> no d007(:) = 1.9e-17*(300./t(:))**(0.5)*exp(1-(0.57/(t(:)**(0.5)))) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d007(:) ind_norec = nb_reaction_4 !--- d008: n + ho2 -> no + oh ! brune et al., j. chem. phys., 87, 1983 d008(:) = 2.19e-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d008(:) !--- d009: n + oh -> no + h ! atkinson et al., j. phys. chem. ref. data, 18, 881, 1989 d009(:) = 3.8e-11*exp(85./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d009(:) !--- d010: n2d + o -> n + o ! herron, j. phys. chem. ref. data, 1999 d010(:) = 3.3e-12*exp(-260./t(:)) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = d010(:)*c(:,i_o) !--- d011: n2d + n2 -> n + n2 ! herron, j. phys. chem. ref. data, 1999 d011(:) = 1.7e-14 nb_phot = nb_phot + 1 v_phot(:,nb_phot) = d011(:)*c(:,i_n2) !--- d012: n2d + co2 -> no + co ! herron, j. phys. chem. ref. data, 1999 d012(:) = 3.6e-13 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d012(:) !--- d013: n + o + co2 -> no + co2 ! Campbell & Trush, 1966 d013(:) = 2.5 * conc(:) * 1.83e-32 * (298./t(:))**0.5 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = d013(:) !--- d014: n2d + co -> n + co ! herron, j. phys. chem. ref. data, 1999 d014(:) = 1.9e-12 nb_phot = nb_phot + 1 v_phot(:,nb_phot) = d014(:)*c(:,i_co) !---------------------------------------------------------------------- ! reactions des composes carbones !---------------------------------------------------------------------- !--- e001: oh + co -> co2 + h ! jpl 2015 ! do iz = 1,nz ! branch 1 : oh + co -> h + co2 ! rate1 = 1.5e-13*(t(iz)/300.)**(0.0) ! branch 2 : oh + co + m -> hoco + m ! ak0 = 5.9e-33*(t(iz)/300.)**(-1.0) ! ak1 = 1.1e-12*(t(iz)/300.)**(1.3) ! rate2 = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) ! xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) ! e001(iz) = rate1 + rate2*0.6**xpo ! end do ! joshi et al., 2006 ! do iz = 1,nz ! k1a0 = 1.34*2.5*conc(iz) & ! *1/(1/(3.62E-26*t(iz)**(-2.739)*exp(-20./t(iz))) & ! + 1/(6.48E-33*t(iz)**(0.14)*exp(-57./t(iz)))) ! typo in paper corrected ! k1b0 = 1.17E-19*t(iz)**(2.053)*exp(139./t(iz)) & ! + 9.56E-12*t(iz)**(-0.664)*exp(-167./t(iz)) ! k1ainf = 1.52E-17*t(iz)**(1.858)*exp(28.8/t(iz)) & ! + 4.78E-8*t(iz)**(-1.851)*exp(-318./t(iz)) ! x = k1a0/(k1ainf - k1b0) ! y = k1b0/(k1ainf - k1b0) ! fc = 0.628*exp(-1223./t(iz)) + (1. - 0.628)*exp(-39./t(iz)) & ! + exp(-t(iz)/255.) ! fx = fc**(1./(1. + (alog(x))**2)) ! typo in paper corrected ! k1a = k1a0*((1. + y)/(1. + x))*fx ! k1b = k1b0*(1./(1.+x))*fx ! e001(iz) = k1a + k1b ! end do ! jpl 2019 do iz = 1,nz ! association k0 = 2.5*6.9e-33*(398./t(iz))**(2.1) kinf = 1.1e-12*(298./t(iz))**(-1.3) kf = (kinf*k0*conc(iz)/(kinf + k0*conc(iz))) & *0.6**(1. + (log10(k0*conc(iz)/kinf))**2.)**(-1.0) ! chemical activation kint = 1.85e-13*exp(-65/t(iz)) kca = kint*(1. - kf/kinf) ! total : association + chemical activation e001(iz) = kf + kca end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = e001(:) !--- e002: o + co + m -> co2 + m ! tsang and hampson, 1986. e002(:) = 2.5*6.5E-33*exp(-2184./t(:))*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = e002(:) !---------------------------------------------------------------------- ! reactions des composes chlores !---------------------------------------------------------------------- !--- f001: hcl + o(1d) -> oh + cl ! jpl 2011 f001(:) = 1.0E-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f001(:) !--- f002: hcl + o(1d) -> h + clo ! jpl 2011 f002(:) = 3.6E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f002(:) !--- f003: hcl + o -> oh + cl ! jpl 2006 f003(:) = 1.0E-11*exp(-3300./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f003(:) !--- f004: hcl + oh -> h2o + cl ! jpl 2009 f004(:) = 1.8E-12*exp(-250./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f004(:) !--- f005: clo + o -> cl + o2 ! jpl 2006 f005(:) = 2.8E-11*exp(85./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f005(:) !--- f006: clo + oh -> cl + ho2 ! jpl 2006 f006(:) = 7.4E-12*exp(270./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f006(:) !--- f007: clo + oh -> hcl + o2 ! jpl 2006 f007(:) = 6.0E-13*exp(230./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f007(:) !--- f008: cl + h2 -> hcl + h ! jpl 2006 f008(:) = 3.05E-11*exp(-2270./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f008(:) !--- f009: cl + o3 -> clo + o2 ! jpl 2006 f009(:) = 2.3E-11*exp(-200./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f009(:) !--- f010: cl + ho2 -> clo + oh ! jpl 2009 f010(:) = 3.6E-11*exp(-375./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f010(:) !--- f011: cl + ho2 -> hcl + o2 ! jpl 2009 f011(:) = 1.4E-11*exp(270./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f011(:) !--- f012: cl + h2o2 -> hcl + ho2 ! jpl 2006 f012(:) = 1.1E-11*exp(-980./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f012(:) !--- f013: cl + co + co2 -> clco + co2 ! jpl 2011 + nicovich et al., j. phys. chem., 1990 f013(:) = 3.2*1.3E-33*(t(:)/300.)**(-3.8)*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f013(:) !--- f014: clco + co2 -> cl + co + co2 ! jpl 2011 ! deq(:) = 3.2*3.5E-25*exp(3730./t(:)) ! mills, 1998 deq(:) = 1.6E-25*exp(4000./t(:)) f014(:) = f013(:)/(deq(:)*conc(:)) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = f014(:)*conc(:) ! do iz = 1, nz ! print*, z(iz), t(iz), f013(iz), f014(iz), v_phot(iz,nb_phot) ! end do ! stop !--- f015: clco + o2 + m -> clco3 + m ! yung and demore, icarus, 51, 199-247, 1982. f015(:) = 5.7E-15*exp(500./t(:))*conc(:) & /(1.e17 + 0.05*conc(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f015(:) !--- f016: clco3 + cl -> cl + clo + co2 ! yung and demore, icarus, 51, 199-247, 1982. ! decomposee en : ! 0.5 clco3 + 0.5 cl -> cl + 0.5 co2 ! 0.5 clco3 + 0.5 cl -> clo + 0.5 co2 f016(:) = 1.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f016(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f016(:) !--- f017: clco3 + o -> cl + o2 + co2 ! yung and demore, icarus, 51, 199-247, 1982. ! decomposee en : ! 0.5 clco3 + 0.5 o -> cl ! 0.5 clco3 + 0.5 o -> o2 + co2 f017(:) = 1.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f017(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f017(:) !--- f018: clo + ho2 -> hocl + o2 ! jpl 2019 f018(:) = 2.6E-12*exp(290./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f018(:) !--- f019: oh + hocl -> h2o + clo f019(:) = 3.0E-12*exp(-500./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f019(:) !--- f020: o + hocl -> oh + clo f020(:) = 1.7E-13 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f020(:) !--- f021: cl + cl + co2 -> cl2 + co2 ! donohoue et al., j. phys. chem. a, 109, 7732-7741, 2005 ! f021(:) = 2.5*8.4E-33*exp(850.*(1./t(:) - 1./298.))*conc(:) ! valeur utilisee par Zhang et al., 2011: f021(:) = 2.6E-33*exp(900./t(:))*conc(:) nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = f021(:) !--- f022: clco + o -> cl + co2 ! yung et al., icarus, 1982 (estimated) f022(:) = 3.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f022(:) !--- f023: cl2 + o(1d) -> cl + clo ! jpl 2011 f023(:) = 2.0E-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f023(:) !--- f024: cl2 + h -> hcl + cl ! baulch et al., j. phys. chem. ref. data, 1981 f024(:) = 1.43E-10*exp(-591./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f024(:) !--- f025: cl + clco -> cl2 + co ! baulch et al., j. phys. chem. ref. data, 1981 f025(:) = 2.16E-9*exp(-1670./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f025(:) !--- f026: clco + clco -> cocl2 + co ! zhang et al., icarus, 2011 (estimated) f026(:) = 5.0E-11 nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = f026(:) !--- f027: cl + so2 + co2 -> clso2 + co2 ! mills, phd, 1998 f027(:) = 1.3E-34*exp(940./t(:))*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f027(:) !--- f028: clso2 + o -> so2 + clo ! mills, phd, 1998 f028(:) = 1.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f028(:) !--- f029: clso2 + h -> so2 + hcl ! mills, phd, 1998 f029(:) = 1.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f029(:) !--- f030: clso2 + clso2 -> cl2 + so2 + so2 ! moses et al. 2002 f030(:) = 5.0E-13 nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = f030(:) !--- f031: cl + o + co2 -> clo + co2 ! yung and demore, 1999 (estimated) f031(:) = 5.0E-32*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f031(:) !--- f032: cl2 + o -> clo + cl ! mills, phd, 1998 f032(:) = 7.4E-12*exp(-1650./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f032(:) !--- f033: clco + oh -> hocl + co ! mills, phd, 1998 f033(:) = 1.5E-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f033(:) !--- f034: cl2 + oh -> cl + hocl ! jpl 2011 f034(:) = 2.6E-12*exp(-1100./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f034(:) !--- f035: clco + o -> co + clo ! yung and demore, 1982 f035(:) = 3.0E-12 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f035(:) !--- f036: clco + cl2 -> cocl2 + cl ! ohta, bull. chem. soc. jpn., 1983 f036(:) = 6.45E-2*f015(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f036(:) !--- f037: hcl + h -> h2 + cl ! mills, phd, 1998 f037(:) = 1.5E-11*exp(-1750./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f037(:) !--- f038: clco + h -> hcl + co ! yung and demore, 1982 f038(:) = 1.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f038(:) !--- f039: cl + h + m -> hcl + m ! yung and demore, 1982 (estimate) f039(:) = 1.0E-32*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = f039(:) !---------------------------------------------------------------------- ! reactions des composes soufres !---------------------------------------------------------------------- !--- g001: s + o2 -> so + o ! jpl 2015 g001(:) = 1.6E-12*exp(100./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g001(:) !--- g002: s + o3 -> so + o2 ! jpl 2015 g002(:) = 1.2E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g002(:) !--- g003: so + o2 -> so2 + o ! jpl 2015 g003(:) = 1.6E-13*exp(-2280./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g003(:) !--- g004: so + o3 -> so2 + o2 ! jpl 2015 g004(:) = 3.4E-12*exp(-1100./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g004(:) !--- g005: so + oh -> so2 + h ! jpl 2019 g005(:) = 2.6E-11*exp(330./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g005(:) !--- g006: s + oh -> so + h ! jpl 2015 g006(:) = 6.6E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g006(:) !--- g007: so + o + co2 -> so2 + co2 ! singleton and cvetanovic, j. phys. chem. ref. data, 1988 ! measured with co2 as third body do iz = 1,nz ak0 = 4.2E-30 ak1 = 5.3E-11 rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) g007(iz) = rate*0.6**xpo end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g007(:) !--- g008: so + ho2 -> so2 + oh g008(:) = 2.8E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g008(:) !--- g009: so2 + o + co2 -> so3 + co2 ! Naidoo et al., Proceedings of the Combustion Institute, ! 30, 1219-1225, 2005 ! Also recommended by jpl 2019 with a simpler expression (fc = 0.6) ! ! Factor of 5 for third-body efficiency of co2 to be confirmed! do iz = 1,nz ak0 = 5.*9.5e-23*(t(iz)**(-3.0))*exp(-2400./t(iz)) ak1 = 6.1e-13*exp(-850./t(iz)) rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) fc = 0.558*exp(-t(iz)/316.) + 0.442*exp(-t(iz)/7442.) g009(iz) = rate*fc**xpo end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g009(:) !--- g010: s + o + co2 -> so + co2 ! zhang et al., icarus, 2011 g010(:) = 1.5E-34*exp(900./t(:))*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g010(:) !--- g011: so3 + h2o + h2o -> h2so4 + h2o ! lovejoy et al., j.phys.chem., 1996 do iz = 1,nz g011(iz) = 2.26E-23*max(t(iz),100.)*exp(6540./max(t(iz),100.)) g011(iz) = g011(iz)*1.0E-20*c(iz,i_h2o) end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g011(:) !--- g012: so + clo -> so2 + cl ! jpl 2011 g012(:) = 2.8E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g012(:) !--- g013: so + so3 -> so2 + so2 ! chung et al., int. j. chem. kinet., 1975 g013(:) = 2.0E-15 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g013(:) !--- g014: so3 + o -> so2 + o2 ! jacob and winkler, j. chem. soc. faraday trans. 1, 1972 g014(:) = 2.32E-16*exp(-487./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g014(:) !--- g015: so + so + co2 -> s2o2 + co2 ! herron and huie, chem. phys. lett., 1980. do iz = 1,nz ak0 = 2.5*4.4E-31 ak1 = 1.0E-11 rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) g015(iz) = rate*0.6**xpo end do nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = g015(:) !--- g016: s2o2 + co2 -> so + so + co2 ! mills, phd, 1998 deq(:) = 2.5*1.0E-28*exp(6000./t(:)) g016(:) = g015(:)/(deq(:)*conc(:)) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = g016(:)*conc(:) !--- g017: clco3 + so -> cl + so2 + co2 ! mills, phd, 1998 ! decomposee en : ! 0.5 clco3 + 0.5 so -> cl ! 0.5 clco3 + 0.5 so -> so2 + co2 g017(:) = 1.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g017(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g017(:) !--- g018: s + co + co2 -> ocs + co2 ! zhang et al., icarus, 2011 (estimate?) g018(:) = 2.5*4.0E-33*exp(-1940./t(:))*conc(:) ! g018(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g018(:) !--- g019: clco + s -> ocs + cl ! zhang et al., icarus, 2011 g019(:) = 3.0E-12 ! g019(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g019(:) !--- g020: so2 + oh + co2 -> hso3 + co2 ! jpl 2011 do iz = 1,nz ak0 = 2.5*3.3E-31*(t(iz)/300.)**(-4.3) ak1 = 1.6E-12 rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) g020(iz) = rate*0.6**xpo end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g020(:) !--- g021: hso3 + o2 -> ho2 + so3 ! jpl 2011 g021(:) = 1.3E-12*exp(-330./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g021(:) !--- g022: s + s + co2 -> s2 + co2 ! nicholas et al., j. chem. soc. faraday trans. 1, 1979 do iz = 1,nz ak0 = 1.19E-29 ak1 = 1.0E-10 rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) g022(iz) = rate*0.6**xpo end do nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = g022(:) !--- g023: s2 + o -> so + s ! zhang et al., icarus, 2011 g023(:) = 2.2E-11*exp(-84./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g023(:) !--- g024: s + ocs -> s2 + co ! lu et al., j. chem. phys., 2006 g024(:) = 6.63E-20*(t(:)**2.57)*exp(-1180./t(:)) ! g025(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g024(:) !--- g025: ocs + o -> so + co ! atkinson et al., 2004 g025(:) = 1.60E-11*exp(-2150./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g025(:) !--- g026: s + so3 -> so2 + so ! moses et al., 2002 g026(:) = 1.0E-16 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g026(:) !--- g027: s + ho2 -> so + oh ! yung and demore, 1982 g027(:) = 3.0E-11*exp(200./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g027(:) !--- g028: s + clo -> so + cl ! moses et al., 2002 g028(:) = 4.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g028(:) !--- g029: h2so4 + h2o -> so3 + h2o + h2o ! krasnopolsky , 2007 g029(:) = 7.0E-14*exp(-5170./t(:)) ! g030(:) = g011(:)/(deq(:)*c(:,i_h2o)) ! g030(:) = 0.0E+0 nb_phot = nb_phot + 1 v_phot(:,nb_phot) = g029(:)*c(:,i_h2o) ! v_phot(:,nb_phot) = 0.0E+0 !--- g030: so3 + ocs -> s2o2 + co2 ! krasnopolsky , 2007 g030(:) = 1.0E-11*exp(-10000./t(:)) ! g031(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g030(:) !--- g031: s2o2 + ocs -> co + so2 + s2 ! decomposee en ! 0.5 s2o2 + 0.5 ocs -> co ! 0.5 s2o2 + 0.5 ocs -> so2 + s2 ! krasnopolsky , 2007 g031(:) = 1.0E-20 ! g032(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g031(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g031(:) ! g032: so + so -> so2 + s ! Krasnopolsky 2012 from Martinez & Heron 1983 or Moses et al 2002 ! g032(:) = 3.5E-15 g032(:) =1.0E-12*exp(-1700.0/t(:)) nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = g032(:) !---------------------------------------------------------------------- ! heterogeneous chemistry !---------------------------------------------------------------------- if (hetero_ice) then ! k = (surface*v*gamma)/4 (s-1) ! v = 100*sqrt(8rt/(pi*m)) (cm s-1) !--- h001: ho2 + ice -> products ! cooper and abbatt, 1996: gamma = 0.025 gam = 0.025 h001(:) = surfice1d(:)*1.E-8 & *100.*sqrt(8.*8.31*t(:)/(33.E-3*pi))*gam/4. ! h002: oh + ice -> products ! cooper and abbatt, 1996: gamma = 0.03 gam = 0.03 h002(:) = surfice1d(:)*1.E-8 & *100.*sqrt(8.*8.31*t(:)/(17.E-3*pi))*gam/4. !--- h003: h2o2 + ice -> products ! gamma = 0. test value gam = 0. h003(:) = surfice1d(:)*1.E-8 & *100.*sqrt(8.*8.31*t(:)/(34.E-3*pi))*gam/4. else h001(:) = 0. h002(:) = 0. h003(:) = 0. end if nb_phot = nb_phot + 1 v_phot(:,nb_phot) = h001(:) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = h002(:) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = h003(:) ! do iz = 1,nz ! print*, z(iz), surfice1d(iz), h001(iz), h002(iz) ! end do ! stop ! print*, 'krates : nb_phot = ', nb_phot ! print*, 'krates : nb_reaction_4 = ', nb_reaction_4 ! print*, 'krates : nb_reaction_3 = ', nb_reaction_3 ! stop !---------------------------------------------------------------------- ! ionospheric reactions ! only if ok_ionchem=true !---------------------------------------------------------------------- if (ok_ionchem) then !--- i001: co2+ + o2 -> o2+ + co2 ! aninich, j. phys. chem. ref. data 1993 i001(:) = 5.5e-11*(300./t_elect(:))**0.5 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i001(:) !--- i002: co2+ + o -> o+ + co2 ! UMIST database i002(:) = 9.6e-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i002(:) !--- i003: co2+ + o -> o2+ + co ! UMIST database i003(:) = 1.64e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i003(:) !--- i004: o2+ + e- -> o + o ! Alge et al., J. Phys. B, At. Mol. Phys. 1983 !i004(:) = 2.0e-7*(300./t_elect(:))**0.7 do iz = 1,nz if (t_elect(iz)<1200.) then i004(iz) = 2.0e-7*(300./t_elect(iz))**0.7 else i004(iz) = 7.4e-8*(1200./t_elect(iz))**0.56 end if end do nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i004(:) !--- i005: o+ + co2 -> o2+ + co ! UMIST database i005(:) = 9.4e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i005(:) !--- i006: co2+ + e- -> co + o ! UMIST database i006(:) = 3.8e-7*(300./t_elect(:))**0.5 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i006(:) !--- i007: co2+ + no -> no+ + co2 ! UMIST database i007(:) = 1.2e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i007(:) !--- i008: o2+ + no -> no+ + o2 ! UMIST database i008(:) = 4.6e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i008(:) !--- i009: o2+ + n2 -> no+ + no ! Fox & Sung 2001 i009(:) = 1.0e-15 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i009(:) !--- i010: o2+ + n -> no+ + o ! Fox & Sung 2001 i010(:) = 1.0e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i010(:) !--- i011: o+ + n2 -> no+ + n ! Fox & Sung 2001 i011(:) = 1.2e-12 * (300./t_elect(:))**0.45 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i011(:) !--- i012: no+ + e -> n + o ! UMIST database i012(:) = 4.3e-7*(300./t_elect(:))**0.37 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i012(:) !--- i013: co+ + co2 -> co2+ + co ! UMIST database i013(:) = 1.0e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i013(:) !--- i014: co+ + o -> o+ + co ! UMIST database i014(:) = 1.4e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i014(:) !--- i015: c+ + co2 -> co+ + co ! UMIST database i015(:) = 1.1e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i015(:) !--- i016: N2+ + co2 -> co2+ + N2 ! Fox & Song 2001 i016(:) = 9.0e-10*(300./t_elect(:))**0.23 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i016(:) !--- i017: N2+ + o -> no+ + N ! Fox & Song 2001 i017(:) = 1.33e-10*(300./t_elect(:))**0.44 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i017(:) !--- i018: N2+ + co -> co+ + N2 ! UMIST i018(:) = 7.4e-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i018(:) !--- i019: N2+ + e -> N + N ! UMIST i019(:) = 1.7e-7*(300./t_elect(:))**0.3 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i019(:) !--- i020: N2+ + o -> o+ + N2 ! Fox & Song 2001 i020(:) = 7.0e-12*(300./t_elect(:))**0.23 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i020(:) !--- i021: N+ + co2 -> co2+ + N ! UMIST i021(:) = 7.5e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i021(:) !--- i022: CO+ + H -> H+ + CO ! Fox & Sung 2001 i022(:) = 4.0e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i022(:) !--- i023: O+ + H -> H+ + O ! UMIST i023(:) = 5.66e-10*((t_elect(:)/300.)**0.36)*exp(8.6/t_elect(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i023(:) !--- i024: H+ + O -> O+ + H ! UMIST i024(:) = 6.86e-10*((t_elect(:)/300.)**0.26)*exp(-224.3/t_elect(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i024(:) !--- i025: CO+ + H2 -> HCO2+ + H ! UMIST i025(:) = 9.5e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i025(:) !--- i026: HCO2+ + e -> H + CO2 ! UMIST i026(:) = 1.75e-8*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i026(:) !--- i027+i028: HCO2+ + e -> H + O + CO ! UMIST !Reaction splitted in 2: i027: 0.5 (HCO2+ + e-) -> H !i028: 0.5 (HCO2+ + e-) -> O + CO i027(:) = 8.1e-7*((300./t_elect(:))**0.64) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i027(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i027(:) !--- i029: HCO2+ + e -> OH + CO ! UMIST i029(:) = 3.2e-7*((300./t_elect(:))**0.64) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i029(:) !--- i030: HCO2+ + e -> H + CO2 i030(:) = 6.0e-8*((300./t_elect(:))**0.64) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i030(:) !--- i031: HCO2+ + O -> HCO+ + O2 ! UMIST i031(:) = 1.e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i031(:) !--- i032: HCO2+ + CO -> HCO+ + CO2 ! UMIST, from Prassad & Huntress 1980 i032(:) = 7.8e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i032(:) !--- i033: H+ + CO2 -> HCO+ + O ! UMIST, from Smith et al., Int. J. Mass Spectrom. Ion Proc., 117, 457-473(1992) i033(:) = 3.5e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i033(:) !--- i034: CO2+ + H -> HCO+ + O ! Seen in Fox 2015, from Borodi et al., Int. J. Mass Spectrom. 280, 218-225, 2009 i034(:) = 4.5e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i034(:) !--- i035: CO+ + H2 -> HCO+ + H !UMIST, from Scott et al., J. Chem. Phys., 106, 3982-3987(1997) i035(:) = 7.5e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i035(:) !--- i036: HCO+ + e- -> CO + H !UMIST, from Mitchell, Phys. Rep., 186, 215 (1990) i036(:) = 2.4e-7 *((300./t_elect(:))**0.69) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i036(:) !--- i037: CO2+ + H2O -> H2O+ + CO2 !UMIST, from Karpas, Z., Anicich, V.G., and Huntress, W.T., Chem. Phys. Lett., 59, 84 (1978) i037(:) = 2.04e-9 *((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i037(:) !--- i038: CO+ + H2O -> H2O+ + CO !UMIST, from Huntress, W.T., McEwan, M.J., Karpas, Z., and Anicich, V.G., Astrophys. J. Supp. Series, 44, 481 (1980) i038(:) = 1.72e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i038(:) !--- i039: O+ + H2O -> H2O+ + O !UMIST, from Adams, N.G., Smith, D., and Paulson, J.F., J. Chem. Phys., 72, 288 (1980); Smith, D., Adams, N.G., and Miller, T.M., J. Chem. Phys.., 69, 308 (1978) i039(:) = 3.2e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i039(:) !--- i040: N2+ + H2O -> H2O+ + N2 !UMIST, from Adams, N.G., Smith, D., and Paulson, J.F., J. Chem. Phys., 72, 288 (1980); Smith, D., Adams, N.G., and Miller, T.M., J. Chem. Phys.., 69, 308 (1978) i040(:) = 2.3e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i040(:) !--- i041: N+ + H2O -> H2O+ + N !UMIST, from Adams, N.G., Smith, D., and Paulson, J.F., J. Chem. Phys., 72, 288 (1980); Smith, D., Adams, N.G., and Miller, T.M., J. Chem. Phys.., 69, 308 (1978) i041(:) = 2.8e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i041(:) !--- i042: H+ + H2O -> H2O+ + H !UMIST, from D. Smith, P. Spanel and C. A. Mayhew, Int. J. Mass Spectrom. Ion Proc., 117, 457-473(1992) i042(:) = 6.9e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i042(:) !--- i043: H2O+ + O2 -> O2+ + H2O !UMIST, from A. B. Raksit and P. Warneck, J. Chem. Soc. Faraday Trans., 76, 1084-1092(1980) i043(:) = 4.6e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i043(:) !--- i044: H2O+ + CO -> HCO+ + OH !UMIST, from Jones, J.D.C., Birkinshaw, K., and Twiddy, N.D., Chem. Phys. Lett., 77, 484 (1981) i044(:) = 5.0e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i044(:) !--- i045: H2O+ + O -> O2+ + H2 !UMIST, from Viggiano, A.A, Howarka, F., Albritton, D.L., Fehsenfeld, F.C., Adams, N.G., and Smith, D., Astrophys. J., 236, 492 (1980) i045(:) = 4.0e-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i045(:) !--- i046: H2O+ + NO -> NO+ + H2O !UMIST, from A. B. Raksit and P. Warneck, J. Chem. Soc. Faraday Trans., 76, 1084-1092(1980) i046(:) = 2.7e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i046(:) !--- i047: H2O+ + e- -> H + H + O !UMIST, from Rosen, S., Derkatch, A., Semaniak, J., et al., 2000, Far. Disc., 115, 295 i047(:) = 3.05e-7*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i047(:) !--- i048: H2O+ + e- -> H + OH !UMIST, from Rosen, S., Derkatch, A., Semaniak, J., et al., 2000, Far. Disc., 115, 295 i048(:) = 8.6e-8*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i048(:) !--- i049: H2O+ + e- -> O + H2 !UMIST, from Rosen, S., Derkatch, A., Semaniak, J., et al., 2000, Far. Disc., 115, 295 i049(:) = 3.9e-8*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i049(:) !--- i050: H2O+ + H2O -> H3O+ + OH !UMIST, from Huntress, W.T. and Pinizzotto, R.F., J. Chem. Phys., 59, 4742 (1973) i050(:) = 2.1e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i050(:) !--- i051: H2O+ + H2 -> H3O+ + H !UMIST, from A. B. Raksit and P. Warneck, J. Chem. Soc. Faraday Trans., 76, 1084-1092(1980) i051(:) = 6.4e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i051(:) !--- i052: HCO+ + H2O -> H3O+ + CO !UMIST, from Adams, N.G., Smith, D., and Grief, D., Int. J. Mass Spectrom. Ion Phys., 26, 405 (1978) i052(:) = 2.5e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i052(:) !--- i053: H3O+ + e -> OH + H + H !UMIST, from Novotny, O. et al., J. Phys. Chem. A 2010, 114, 14, 4870-4874 i053(:) = 3.05e-7*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i053(:) !--- i054: H3O+ + e -> H2O + H !UMIST, from Novotny, O. et al., J. Phys. Chem. A 2010, 114, 14, 4870-4874 i054(:) = 7.09e-8*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i054(:) !--- i055: H3O+ + e -> OH + H2 !UMIST, from Novotny, O. et al., J. Phys. Chem. A 2010, 114, 14, 4870-4874 i055(:) = 5.37e-8*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i055(:) !--- i056: H3O+ + e -> O + H2 + H !UMIST, from Novotny, O. et al., J. Phys. Chem. A 2010, 114, 14, 4870-4874 i056(:) = 5.6e-9*((300./t_elect(:))**0.5) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i056(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i056(:) !--- i057: O+ + H2 -> OH+ + H !UMIST, from Adams, N.G., Smith, D., and Paulson, J.F., J. Chem. Phys., 72, 288 (1980); Smith, D., Adams, N.G., and Miller, T.M., J. Chem. Phys.., 69, 308 (1978) i057(:) = 1.7e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i057(:) !--- i058: OH+ + O -> O2+ + H !UMIST, from Prasad & Huntress, 1980, ApJS, 43, 1 i058(:) = 7.1e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i058(:) !--- i059: OH+ + CO2 -> HCO2+ + O !UMIST, from Jones, J.D.C., Birkinshaw, K., and Twiddy, N.D., Chem. Phys. Lett., 77, 484 (1981) i059(:) = 1.44e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i059(:) !--- i060: OH+ + CO -> HCO+ + O !UMIST, from Jones, J.D.C., Birkinshaw, K., and Twiddy, N.D., Chem. Phys. Lett., 77, 484 (1981) i060(:) = 1.05e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i060(:) !--- i061: OH+ + NO -> NO+ + OH (tasa de reacción UMIST 3.59e-10) !UMIST, from Jones, J.D.C., Birkinshaw, K., and Twiddy, N.D., Chem. Phys. Lett., 77, 484 (1981) i061(:) = 3.59e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i061(:) !--- i062: OH+ + H2 -> H2O+ + H (tasa de reacción UMIST 1.01e-9, !UMIST, from Jones, J.D.C., Birkinshaw, K., and Twiddy, N.D., Chem. Phys. Lett., 77, 484 (1981) i062(:) = 1.01e-9 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i062(:) !--- i063: OH+ + O2 -> O2+ + OH (tasa de reacción UMIST 5.9e-10 !UMIST, from Jones, J.D.C., Birkinshaw, K., and Twiddy, N.D., Chem. Phys. Lett., 77, 484 (1981) i063(:) = 5.9e-10 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i063(:) end if ! ok_ionchem !---------------------------------------------------------------------- ! reactions avec 02(Dg) !---------------------------------------------------------------------- !--- j001: O2(Dg) + (CO2 and O) -> O2 + (CO2 and O) + hv ! Krasnopolsky (2010a) for CO2 & Clark and Wayne, 1969 for O (JPL) j001(:) = 1.E-20 * c(:,i_co2) !+ 2.E-16 * c(:,i_o) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = j001(:) !--- j002: O2(Dg) -> O2 + hv ! Lafferty et al; (1998) j002(:) = 2.2E-4 nb_phot = nb_phot + 1 v_phot(:,nb_phot) = j002(:) !!! TEST: artificial increase of CO2 photodissociation if (tuneupperatm) then !-- TuneA ! v_phot(65:78,4) = v_phot(65:78,4)*10. ! v_phot(60:64,4) = v_phot(60:64,4)*3. ! v_phot(55:59,3) = v_phot(55:59,3)*2. !-- !-- TuneB ! v_phot(65:78,4) = v_phot(65:78,4)*10. ! v_phot(55:59,3) = v_phot(55:59,3)*5. !-- !-- TuneC ! VCD 1.1 tuning ! v_phot(65:78,4) = v_phot(65:78,4)*10. ! v_phot(52:59,3) = v_phot(52:59,3)*5. !-- !-- TuneE ! VCD 2.0 tuning ! v_phot(65:nz,4) = v_phot(65:nz,4)*10. ! CO2 + hv ==> O(1D) + CO !-- ! VCD 2.1 tuning v_phot(65:nz,4) = v_phot(65:nz,4)*8. ! CO2 + hv ==> O(1D) + CO !-- ! TEST TUNEH ! v_phot(62:74,4) = v_phot(62:74,4)*6.5 ! CO2 + hv ==> O(1D) + CO !-- ! v_phot(:,4) = v_phot(:,4)*10. !do ij=3,4 ! v_phot(:,ij) = v_phot(:,ij)*10. !end do end if return end subroutine krates !====================================================================== subroutine fill_matrix(ilev, mat, prod, loss, lossconc, c, nesp, nlayer, & nb_reaction_3_max, nb_reaction_4_max, nb_phot_max, & v_phot, v_3, v_4) !====================================================================== ! filling of the jacobian matrix !====================================================================== use types_asis implicit none ! input integer :: ilev ! level index integer :: nesp ! number of species in the chemistry integer, intent(in) :: nlayer ! number of atmospheric layers integer, intent(in) :: nb_reaction_3_max ! number of quadratic reactions integer, intent(in) :: nb_reaction_4_max ! number of bimolecular reactions integer, intent(in) :: nb_phot_max ! number of processes treated numerically as photodissociations real (kind = 8), dimension(nlayer,nesp) :: c ! number densities real (kind = 8), dimension(nlayer, nb_phot_max) :: v_phot real (kind = 8), dimension(nlayer,nb_reaction_3_max) :: v_3 real (kind = 8), dimension(nlayer,nb_reaction_4_max) :: v_4 ! output real (kind = 8), dimension(nesp,nesp), intent(out) :: mat ! matrix real (kind = 8), dimension(nesp), intent(out) :: prod, loss, lossconc ! local integer :: iesp integer :: ind_phot_2,ind_phot_4,ind_phot_6 integer :: ind_3_2,ind_3_4,ind_3_6 integer :: ind_4_2,ind_4_4,ind_4_6,ind_4_8 integer :: iphot,i3,i4 real(kind = 8) :: eps, eps_4 ! implicit/explicit coefficient ! initialisations mat(:,:) = 0. prod(:) = 0. loss(:) = 0. lossconc(:) = 0. ! photodissociations ! or reactions a + c -> b + c ! or reactions a + ice -> b + c do iphot = 1,nb_phot_max ind_phot_2 = indice_phot(iphot)%z2 ind_phot_4 = indice_phot(iphot)%z4 ind_phot_6 = indice_phot(iphot)%z6 mat(ind_phot_2,ind_phot_2) = mat(ind_phot_2,ind_phot_2) + indice_phot(iphot)%z1*v_phot(ilev,iphot) mat(ind_phot_4,ind_phot_2) = mat(ind_phot_4,ind_phot_2) - indice_phot(iphot)%z3*v_phot(ilev,iphot) mat(ind_phot_6,ind_phot_2) = mat(ind_phot_6,ind_phot_2) - indice_phot(iphot)%z5*v_phot(ilev,iphot) loss(ind_phot_2) = loss(ind_phot_2) + indice_phot(iphot)%z1*v_phot(ilev,iphot) lossconc(ind_phot_2) = lossconc(ind_phot_2) + indice_phot(iphot)%z1*v_phot(ilev,iphot)*c(ilev,ind_phot_2) prod(ind_phot_4) = prod(ind_phot_4) + indice_phot(iphot)%z3*v_phot(ilev,iphot)*c(ilev,ind_phot_2) prod(ind_phot_6) = prod(ind_phot_6) + indice_phot(iphot)%z5*v_phot(ilev,iphot)*c(ilev,ind_phot_2) end do ! reactions a + a -> b + c do i3 = 1,nb_reaction_3_max ind_3_2 = indice_3(i3)%z2 ind_3_4 = indice_3(i3)%z4 ind_3_6 = indice_3(i3)%z6 mat(ind_3_2,ind_3_2) = mat(ind_3_2,ind_3_2) + indice_3(i3)%z1*v_3(ilev,i3)*c(ilev,ind_3_2) mat(ind_3_4,ind_3_2) = mat(ind_3_4,ind_3_2) - indice_3(i3)%z3*v_3(ilev,i3)*c(ilev,ind_3_2) mat(ind_3_6,ind_3_2) = mat(ind_3_6,ind_3_2) - indice_3(i3)%z5*v_3(ilev,i3)*c(ilev,ind_3_2) loss(ind_3_2) = loss(ind_3_2) + indice_3(i3)%z1*v_3(ilev,i3)*c(ilev,ind_3_2) lossconc(ind_3_2) = lossconc(ind_3_2) + indice_3(i3)%z1*v_3(ilev,i3)*c(ilev,ind_3_2)*c(ilev,ind_3_2) prod(ind_3_4) = prod(ind_3_4) + indice_3(i3)%z3*v_3(ilev,i3)*c(ilev,ind_3_2)*c(ilev,ind_3_2) prod(ind_3_6) = prod(ind_3_6) + indice_3(i3)%z5*v_3(ilev,i3)*c(ilev,ind_3_2)*c(ilev,ind_3_2) end do ! reactions a + b -> c + d eps = 1.d-10 do i4 = 1,nb_reaction_4_max ind_4_2 = indice_4(i4)%z2 ind_4_4 = indice_4(i4)%z4 ind_4_6 = indice_4(i4)%z6 ind_4_8 = indice_4(i4)%z8 eps_4 = abs(c(ilev,ind_4_2))/(abs(c(ilev,ind_4_2)) + abs(c(ilev,ind_4_4)) + eps) eps_4 = min(eps_4,1.0) mat(ind_4_2,ind_4_2) = mat(ind_4_2,ind_4_2) + indice_4(i4)%z1*v_4(ilev,i4)*(1. - eps_4)*c(ilev,ind_4_4) mat(ind_4_2,ind_4_4) = mat(ind_4_2,ind_4_4) + indice_4(i4)%z1*v_4(ilev,i4)*eps_4*c(ilev,ind_4_2) mat(ind_4_4,ind_4_2) = mat(ind_4_4,ind_4_2) + indice_4(i4)%z3*v_4(ilev,i4)*(1. - eps_4)*c(ilev,ind_4_4) mat(ind_4_4,ind_4_4) = mat(ind_4_4,ind_4_4) + indice_4(i4)%z3*v_4(ilev,i4)*eps_4*c(ilev,ind_4_2) mat(ind_4_6,ind_4_2) = mat(ind_4_6,ind_4_2) - indice_4(i4)%z5*v_4(ilev,i4)*(1. - eps_4)*c(ilev,ind_4_4) mat(ind_4_6,ind_4_4) = mat(ind_4_6,ind_4_4) - indice_4(i4)%z5*v_4(ilev,i4)*eps_4*c(ilev,ind_4_2) mat(ind_4_8,ind_4_2) = mat(ind_4_8,ind_4_2) - indice_4(i4)%z7*v_4(ilev,i4)*(1. - eps_4)*c(ilev,ind_4_4) mat(ind_4_8,ind_4_4) = mat(ind_4_8,ind_4_4) - indice_4(i4)%z7*v_4(ilev,i4)*eps_4*c(ilev,ind_4_2) loss(ind_4_2) = loss(ind_4_2) + indice_4(i4)%z1*v_4(ilev,i4)*c(ilev,ind_4_4) lossconc(ind_4_2) = lossconc(ind_4_2) + indice_4(i4)%z1*v_4(ilev,i4)*c(ilev,ind_4_4)*c(ilev,ind_4_2) loss(ind_4_4) = loss(ind_4_4) + indice_4(i4)%z3*v_4(ilev,i4)*c(ilev,ind_4_2) lossconc(ind_4_4) = lossconc(ind_4_4) + indice_4(i4)%z3*v_4(ilev,i4)*c(ilev,ind_4_2)*c(ilev,ind_4_4) prod(ind_4_6) = prod(ind_4_6) + indice_4(i4)%z5*v_4(ilev,i4)*c(ilev,ind_4_2)*c(ilev,ind_4_4) prod(ind_4_8) = prod(ind_4_8) + indice_4(i4)%z7*v_4(ilev,i4)*c(ilev,ind_4_2)*c(ilev,ind_4_4) end do end subroutine fill_matrix !================================================================ subroutine define_dt(nesp, dtnew, dtold, ctimestep, cold, ccur, mat1, & prod, loss, dens, lon, lat) !================================================================ ! iterative evaluation of the appropriate time step dtnew ! according to curvature criterion based on ! e = 2 Rtol [r Cn+1 -(1-r) Cn + Cn-1 ]/[(1+r) Cn] ! with r = (tn - tn-1)/(tn+1 - tn) !================================================================ implicit none ! input integer :: nesp ! number of species in the chemistry real :: dtold, ctimestep real (kind = 8), dimension(nesp) :: cold, ccur real (kind = 8), dimension(nesp,nesp) :: mat1 real (kind = 8), dimension(nesp) :: prod, loss real :: dens real :: lon, lat ! output real :: dtnew ! local real (kind = 8), dimension(nesp) :: cnew real (kind = 8), dimension(nesp,nesp) :: mat real (kind = 8) :: atol, ratio, e, es, coef integer :: code, iesp, iter integer, dimension(nesp) :: indx integer :: imax real :: dttest ! parameters real (kind = 8), parameter :: dtmin = 10. ! minimum time step (s) real (kind = 8), parameter :: vmrtol = 1.e-11 ! absolute tolerance on vmr real (kind = 8), parameter :: rtol = 0.05 ! rtol recommended value : 0.1-0.02 integer, parameter :: niter = 3 ! number of iterations real (kind = 8), parameter :: coefmax = 2. real (kind = 8), parameter :: coefmin = 0.1 logical :: fast_guess = .true. dttest = dtold ! dttest = dtold = dt_guess atol = vmrtol*dens ! absolute tolerance in molecule.cm-3 do iter = 1,niter if (fast_guess) then ! first guess : fast semi-implicit method do iesp = 1, nesp cnew(iesp) = (ccur(iesp) + prod(iesp)*dttest)/(1. + loss(iesp)*dttest) end do else ! first guess : form the matrix identity + mat*dt_guess mat(:,:) = mat1(:,:)*dttest do iesp = 1,nesp mat(iesp,iesp) = 1. + mat(iesp,iesp) end do ! form right-hand side (RHS) of the system cnew(:) = ccur(:) ! solve the linear system M*Cn+1 = Cn (RHS in cnew, then replaced by solution) #ifdef LAPACK call dgesv(nesp,1,mat,nesp,indx,cnew,nesp,code) #else write(*,*) "photochemistry error, missing LAPACK routine dgesv" stop #endif end if ! ratio old/new subtimestep ratio = dtold/dttest ! e : local error indicator e = 0. do iesp = 1,nesp es = 2.*abs((ratio*cnew(iesp) - (1. + ratio)*ccur(iesp) + cold(iesp)) & /(1. + ratio)/max(ccur(iesp)*rtol,atol)) if (es > e) then e = es imax = iesp end if end do ! timestep correction coef = max(coefmin, min(coefmax,0.8/sqrt(e))) dttest = max(dtmin,dttest*coef) dttest = min(ctimestep,dttest) end do ! iter ! new timestep dtnew = dttest end subroutine define_dt !====================================================================== !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! CE CODE EST OBSOLETE !! A NE PAS UTILISER !!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! SUBROUTINE rate_save( & n_lev, & pres, & temperature, & traceur, & nq_max, & vphot, & v3, & v4) !================== !!!!! MODEL 1D !!!! ==> n_lon = 1 !!!! !================== ! Ici on a les variables pour le modele 1D, surtout pour la sauvegarde des taux de prod/consom !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !PENSER a changer les conditions de time_tot !time_tot=nbr_pdt*(nbr_jour-1) !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! USE chemparam_mod IMPLICIT none !INTEGER, PARAMETER :: time_tot=6000*1 INTEGER :: unit_loc, ierr_loc ! unite de lecture de "rcm1d.def" INTEGER, SAVE :: time_tot,nbr_pdt,nbr_jour INTEGER, SAVE :: cpt_time, cpt_time_rate DOUBLE PRECISION, DIMENSION(n_lev,126) :: rate_day DOUBLE PRECISION, DIMENSION(n_lev,126) :: rate_night DOUBLE PRECISION :: rate_local DOUBLE PRECISION :: concentration(n_lev) DOUBLE PRECISION :: pres(n_lev) DOUBLE PRECISION :: temperature(n_lev) DOUBLE PRECISION :: traceur(n_lev,nq_max) INTEGER :: n_lev, nq_max INTEGER :: i_lev, i_react, i_v INTEGER :: i LOGICAL, SAVE :: f_call = .true. integer, parameter :: nb_phot_max = 30 integer, parameter :: nb_reaction_3_max = 12 integer, parameter :: nb_reaction_4_max = 87 real, dimension(n_lev,nb_phot_max) :: vphot real, dimension(n_lev,nb_reaction_3_max) :: v3 real, dimension(n_lev,nb_reaction_4_max) :: v4 !PRINT*,"DEBUT subroutine rate_save" IF (f_call) THEN ! ------------------------------------------------------ ! Lecture des parametres dans "rcm1d.def" ! ------------------------------------------------------ ! Opening parameters file "rcm1d.def" ! --------------------------------------- unit_loc =98 OPEN(unit_loc,file='rcm1d.def',status='old',form='formatted' & ,iostat=ierr_loc) IF(ierr_loc.ne.0) THEN write(*,*) 'Problem to open "rcm1d.def' write(*,*) 'Is it there ?' stop ELSE write(*,*) 'open rcm1d.def success ' END IF do i=1, 2 read (unit_loc, *) end do PRINT *,'nombre de pas de temps par jour ?' READ(unit_loc,*) nbr_pdt print*,nbr_pdt PRINT *,'nombre de jours simules ?' READ(unit_loc,*) nbr_jour print*,nbr_jour time_tot = nbr_pdt*(nbr_jour-1) PRINT *,'nombre de PdT avant calcul des taux production/consommation ?' PRINT*,time_tot PRINT*,'nlev',n_lev cpt_time = 1 cpt_time_rate = 1 f_call = .false. PRINT*,"f_call: ",f_call rate_night(:,:)=0. rate_day(:,:)=0. END IF ! PRINT*,"P T" ! PRINT*,pres,temperature IF (cpt_time .GE. time_tot) THEN ! PRINT*,'cpt_time',cpt_time DO i_lev=1, n_lev concentration(i_lev) = pres(i_lev)/(1.3806488E-19 * temperature(i_lev)) END DO IF (((cpt_time_rate .GE. 1).AND.(cpt_time_rate .LE. (nbr_pdt/4))).OR. & (cpt_time_rate .GT. (3*(nbr_pdt/4)))) THEN !=============================== ! !!!! NUIT !!!! !=============================== ! PRINT*,'NUIT' DO i_lev=1, n_lev i_react=1 i_v=1 !=============================== ! 1 o2 + hv -> o + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 2 o2 + hv -> o + o(1d) !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 3 co2 + hv -> co + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_co2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 4 co2 + hv -> co + o(1d) !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_co2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 5 o3 + hv -> o2(Dg) + o(1d) !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 6 o3 + hv -> o2 + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 7 h2o + hv -> h + oh !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_h2o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 8 ho2 + hv -> oh + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 9 h2o2 + hv -> oh + oh !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_h2o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 10 hcl + hv -> h + cl !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 11 cl2 + hv -> cl + cl !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 12 hocl + hv -> oh + cl !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_hocl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 13 so2 + hv -> so + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 14 so + hv -> s + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 15 so3 + hv -> so2 + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_so3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 16 clo + hv -> cl + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 17 ocs + hv -> co + s !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_ocs)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 18 cocl2 + hv -> cl + cl + co !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_cocl2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 19 h2so4 + hv -> so3 + h2o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_h2so4)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 20 b001 o(1d) + co2 -> o + co2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 21 b004 o(1d) + o2 -> o + o2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 22 f014 clco + co2 -> cl + co + co2 !=============================== rate_local = vphot(i_lev,22)*traceur(i_lev,i_clco)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 23 g016 s2o2 + co2 -> 2so + co2 !=============================== rate_local = vphot(i_lev,23)*traceur(i_lev,i_s2o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 24 g023 s2 + co2 -> 2s + co2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 25 h001 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== !--- 26 h002 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== !--- 27 h003 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== !--- 30 i001 o2(Dg) + CO2 -> O2 + CO2 + hv !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2dg)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 31 i002 o2(Dg) -> O2 + hv !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2dg)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 ! DEBUT DES REACTION V3 i_v = i_v - nb_phot_max !=============================== !--- 32 a002: o + o + co2 -> o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 33 c008: ho2 + ho2 -> h2o2 + o2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_ho2)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 34 c013: oh + oh -> h2o + o !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 35 c016: ho2 + ho2 + co2 -> h2o2 + o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_ho2)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 36 c017: oh + oh + co2 -> h2o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 37 c018: h + h + co2 -> h2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 38 f021: cl + cl + co2 -> cl2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 39 f026: clco + clco -> cocl2 + co !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 40 f030: clso2 + clso2 -> cl2 + so2 + so2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_clso2)*concentration(i_lev) & *traceur(i_lev,i_clso2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 41 g015: so + so + co2 -> s2o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_so)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 42 g022: s + s + co2 -> s2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_s)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 ! DEBUT DES REACTION V4 i_v = i_v - nb_reaction_3_max !=============================== !--- 43 a001: o + o2 + co2 -> o3 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 44 a003: o + o3 -> o2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 45 b002: o(1d) + h2o -> oh + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_h2o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 46 b003: o(1d) + h2 -> oh + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_h2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 47 b005: o(1d) + o3 -> o2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 48 b006: o(1d) + o3 -> o2 + o + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 49 c001: o + ho2 -> oh + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 50 c002: o + oh -> o2 + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 51 c003: h + o3 -> oh + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 52 c004: h + ho2 -> oh + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 53 c005: h + ho2 -> h2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 54 c006: h + ho2 -> h2o + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 55 c007: oh + ho2 -> h2o + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 56 c009: oh + h2o2 -> h2o + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_h2o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 57 c010: oh + h2 -> h2o + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_h2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 58 c011: h + o2 + co2 -> ho2 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 59 c012: o + h2o2 -> oh + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_h2o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 60 c014: oh + o3 -> ho2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 61 c015: ho2 + o3 -> oh + o2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 62 e001: oh + co -> co2 + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 63 e002: o + co + m -> co2 + m !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_co)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 64 f001: hcl + o(1d) -> oh + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_o1d)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 65 f002: hcl + o(1d) -> h + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_o1d)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 66 f003: hcl + o -> oh + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 67 f004: hcl + oh -> h2o + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 68 f005: clo + o -> cl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 69 f006: clo + oh -> cl + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 70 f007: clo + oh -> hcl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 71 f008: cl + h2 -> hcl + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_h2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 72 f009: cl + o3 -> clo + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 73 f010: cl + ho2 -> clo + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 74 f011: cl + ho2 -> hcl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 75 f012: cl + h2o2 -> hcl + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_h2o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 76 f013: cl + co + co2 -> clco + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_co)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 77 f015: clco + o2 + m -> clco3 + m !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 78 & 79 f016: clco3 + cl -> cl + clo + co2 !=============================== ! decomposee en : ! 0.5 clco3 + 0.5 cl -> cl + 0.5 co2 ! 0.5 clco3 + 0.5 cl -> clo + 0.5 co2 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 80 & 81 f017: clco3 + o -> cl + o2 + co2 !=============================== ! decomposee en : ! 0.5 clco3 + 0.5 o -> cl ! 0.5 clco3 + 0.5 o -> o2 + co2 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 82 f018: clo + ho2 -> hocl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 83 f019: oh + hocl -> h2o + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_hocl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 84 f020: o + hocl -> oh + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hocl)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 85 f022: clco + o -> cl + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 86 f023: cl2 + o(1d) -> cl + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_o1d)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 87 f024: cl2 + h -> hcl + cl !============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 88 f025: cl + clco -> cl2 + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 89 f027: cl + so2 + co2 -> clso2 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 90 f028: clso2 + o -> so2 + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clso2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 91 f029: clso2 + h -> so2 + hcl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clso2)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 92 f031: cl + o + co2 -> clo + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 93 f032: cl2 + o -> clo + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 94 f033: clco + oh -> hocl + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 95 f034: cl2 + oh -> cl + hocl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 96 f035: clco + o -> co + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 97 f036: clco + cl2 -> cocl2 + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 98 f037: hcl + h -> h2 + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 99 f038: clco + h -> hcl + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 100 f039: cl + h + m -> hcl + m !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 101 g001: s + o2 -> so + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 102 g002: s + o3 -> so + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 103 g003: so + o2 -> so2 + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_o2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 104 g004: so + o3 -> so2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 105 g005: so + oh -> so2 + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 106 g006: s + oh -> so + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 107 g007: so + o + co2 -> so2 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 108 g008: so + ho2 -> so2 + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 109 g009: so2 + o + co2 -> so3 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 110 g010: s + o + co2 -> so + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 111 g011: so3 + h2o -> h2so4 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so3)*concentration(i_lev) & *traceur(i_lev,i_h2o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 112 g012: so + clo -> so2 + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_clo)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 113 g013: so + so3 -> so2 + so2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_so3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 114 g014: so3 + o -> so2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 115 & 116 g017: clco3 + so -> cl + so2 + co2 !=============================== ! decomposee en : ! 0.5 clco3 + 0.5 so -> cl ! 0.5 clco3 + 0.5 so -> so2 + co2 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_so)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_so)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 117 g018: s + co + co2 -> ocs + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_co)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 118 g019: clco + s -> ocs + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_s)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 119 g020: so2 + oh + co2 -> hso3 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 120 g021: hso3 + o2 -> ho2 + so3 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_hso3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 121 g024: s2 + o -> so + s !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 122 g025: s + ocs -> s2 + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_ocs)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 123 g026: ocs + o -> so + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_ocs)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 124 g027: s + so3 -> so2 + so !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_so3)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 125 g028: s + ho2 -> so + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 126 g029: s + clo -> so + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_clo)*concentration(i_lev) rate_night(i_lev,i_react) = rate_night(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 END DO ELSE !=============================== ! !!!! JOUR !!!! !=============================== ! PRINT*,'JOUR' DO i_lev=1, n_lev i_react=1 i_v=1 !=============================== ! 1 o2 + hv -> o + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 2 o2 + hv -> o + o(1d) !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 3 co2 + hv -> co + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_co2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 4 co2 + hv -> co + o(1d) !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_co2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 5 o3 + hv -> o2(Dg) + o(1d) !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 6 o3 + hv -> o2 + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 7 h2o + hv -> h + oh !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_h2o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 8 ho2 + hv -> oh + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 9 h2o2 + hv -> oh + oh !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_h2o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 10 hcl + hv -> h + cl !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 11 cl2 + hv -> cl + cl !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 12 hocl + hv -> oh + cl !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_hocl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 13 so2 + hv -> so + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 14 so + hv -> s + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 15 so3 + hv -> so2 + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_so3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 16 clo + hv -> cl + o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 17 ocs + hv -> co + s !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_ocs)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 18 cocl2 + hv -> cl + cl + co !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_cocl2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 19 h2so4 + hv -> so3 + h2o !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_h2so4)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 20 o(1d) + co2 -> o + co2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 21 o(1d) + o2 -> o + o2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 22 clco + co2 -> cl + co + co2 !=============================== rate_local = vphot(i_lev,22)*traceur(i_lev,i_clco)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 23 s2o2 + co2 -> 2so + co2 !=============================== rate_local = vphot(i_lev,23)*traceur(i_lev,i_s2o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 24 s2 + co2 -> 2s + co2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 25 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== ! 26 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== ! 27 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== ! 28 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== ! 29 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== ! 30 o2(Dg) + CO2 -> O2 + CO2 !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2dg)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== ! 31 o2(Dg) -> O2 + hv !=============================== rate_local = vphot(i_lev,i_v)*traceur(i_lev,i_o2dg)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 ! DEBUT DES REACTION V3 i_v = i_v - nb_phot_max !=============================== !--- 32 a002: o + o + co2 -> o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 33 c008: ho2 + ho2 -> h2o2 + o2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_ho2)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 34 c013: oh + oh -> h2o + o !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 35 c016: ho2 + ho2 + co2 -> h2o2 + o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_ho2)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 36 c017: oh + oh + co2 -> h2o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 37 c018: h + h + co2 -> h2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 38 f021: cl + cl + co2 -> cl2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 39 f026: clco + clco -> cocl2 + co !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 40 f030: clso2 + clso2 -> cl2 + so2 + so2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_clso2)*concentration(i_lev) & *traceur(i_lev,i_clso2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 41 g015: so + so + co2 -> s2o2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_so)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 42 g022: s + s + co2 -> s2 + co2 !=============================== rate_local = v3(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_s)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 ! DEBUT DES REACTION V4 i_v = i_v - nb_reaction_3_max !=============================== !--- 43 a001: o + o2 + co2 -> o3 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 44 a003: o + o3 -> o2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 45 b002: o(1d) + h2o -> oh + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_h2o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 46 b003: o(1d) + h2 -> oh + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_h2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 47 b005: o(1d) + o3 -> o2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 48 b006: o(1d) + o3 -> o2 + o + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o1d)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 49 c001: o + ho2 -> oh + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 50 c002: o + oh -> o2 + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 51 c003: h + o3 -> oh + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 52 c004: h + ho2 -> oh + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 53 c005: h + ho2 -> h2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 54 c006: h + ho2 -> h2o + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_h)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 55 c007: oh + ho2 -> h2o + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 56 c009: oh + h2o2 -> h2o + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_h2o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 57 c010: oh + h2 -> h2o + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_h2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 58 c011: h + o2 + co2 -> ho2 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 59 c012: o + h2o2 -> oh + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_h2o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 60 c014: oh + o3 -> ho2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 61 c015: ho2 + o3 -> oh + o2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o3)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 62 e001: oh + co -> co2 + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 63 e002: o + co + m -> co2 + m !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_co)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 64 f001: hcl + o(1d) -> oh + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_o1d)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 65 f002: hcl + o(1d) -> h + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_o1d)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 66 f003: hcl + o -> oh + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 67 f004: hcl + oh -> h2o + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 68 f005: clo + o -> cl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 69 f006: clo + oh -> cl + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 70 f007: clo + oh -> hcl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 71 f008: cl + h2 -> hcl + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_h2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 72 f009: cl + o3 -> clo + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 73 f010: cl + ho2 -> clo + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 74 f011: cl + ho2 -> hcl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 75 f012: cl + h2o2 -> hcl + ho2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_h2o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 76 f013: cl + co + co2 -> clco + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_co)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 77 f015: clco + o2 + m -> clco3 + m !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 78 & 79 f016: clco3 + cl -> cl + clo + co2 !=============================== ! decomposee en : ! 0.5 clco3 + 0.5 cl -> cl + 0.5 co2 ! 0.5 clco3 + 0.5 cl -> clo + 0.5 co2 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 80 & 81 f017: clco3 + o -> cl + o2 + co2 !=============================== ! decomposee en : ! 0.5 clco3 + 0.5 o -> cl ! 0.5 clco3 + 0.5 o -> o2 + co2 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 82 f018: clo + ho2 -> hocl + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clo)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 83 f019: oh + hocl -> h2o + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_oh)*concentration(i_lev) & *traceur(i_lev,i_hocl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 84 f020: o + hocl -> oh + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hocl)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 85 f022: clco + o -> cl + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 86 f023: cl2 + o(1d) -> cl + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_o1d)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 87 f024: cl2 + h -> hcl + cl !============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 88 f025: cl + clco -> cl2 + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 89 f027: cl + so2 + co2 -> clso2 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) & *traceur(i_lev,i_cl)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 90 f028: clso2 + o -> so2 + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clso2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 91 f029: clso2 + h -> so2 + hcl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clso2)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 92 f031: cl + o + co2 -> clo + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 93 f032: cl2 + o -> clo + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 94 f033: clco + oh -> hocl + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 95 f034: cl2 + oh -> cl + hocl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 96 f035: clco + o -> co + clo !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 97 f036: clco + cl2 -> cocl2 + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl2)*concentration(i_lev) & *traceur(i_lev,i_clco)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 98 f037: hcl + h -> h2 + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_hcl)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 99 f038: clco + h -> hcl + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 100 f039: cl + h + m -> hcl + m !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_cl)*concentration(i_lev) & *traceur(i_lev,i_h)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 101 g001: s + o2 -> so + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 102 g002: s + o3 -> so + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 103 g003: so + o2 -> so2 + o !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_o2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 104 g004: so + o3 -> so2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_o3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 105 g005: so + oh -> so2 + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 106 g006: s + oh -> so + h !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 107 g007: so + o + co2 -> so2 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 108 g008: so + ho2 -> so2 + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 109 g009: so2 + o + co2 -> so3 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 110 g010: s + o + co2 -> so + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 111 g011: so3 + h2o -> h2so4 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so3)*concentration(i_lev) & *traceur(i_lev,i_h2o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 112 g012: so + clo -> so2 + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_clo)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 113 g013: so + so3 -> so2 + so2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so)*concentration(i_lev) & *traceur(i_lev,i_so3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 114 g014: so3 + o -> so2 + o2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so3)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 115 & 116 g017: clco3 + so -> cl + so2 + co2 !=============================== ! decomposee en : ! 0.5 clco3 + 0.5 so -> cl ! 0.5 clco3 + 0.5 so -> so2 + co2 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_so)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 rate_local = v4(i_lev,i_v)*0.25*traceur(i_lev,i_clco3)*concentration(i_lev) & *traceur(i_lev,i_so)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 117 g018: s + co + co2 -> ocs + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_co)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 118 g019: clco + s -> ocs + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_clco)*concentration(i_lev) & *traceur(i_lev,i_s)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 119 g020: so2 + oh + co2 -> hso3 + co2 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_so2)*concentration(i_lev) & *traceur(i_lev,i_oh)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 120 g021: hso3 + o2 -> ho2 + so3 !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o2)*concentration(i_lev) & *traceur(i_lev,i_hso3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 121 g024: s2 + o -> so + s !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s2)*concentration(i_lev) & *traceur(i_lev,i_o)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 122 g025: s + ocs -> s2 + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_ocs)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 123 g026: ocs + o -> so + co !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_o)*concentration(i_lev) & *traceur(i_lev,i_ocs)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 124 g027: s + so3 -> so2 + so !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_so3)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 125 g028: s + ho2 -> so + oh !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_ho2)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 !=============================== !--- 126 g029: s + clo -> so + cl !=============================== rate_local = v4(i_lev,i_v)*traceur(i_lev,i_s)*concentration(i_lev) & *traceur(i_lev,i_clo)*concentration(i_lev) rate_day(i_lev,i_react) = rate_day(i_lev,i_react) + 2.*rate_local/nbr_pdt i_react=i_react+1 i_v=i_v+1 END DO END IF cpt_time_rate = cpt_time_rate + 1 END IF IF (cpt_time .EQ. (time_tot+nbr_pdt)) THEN OPEN(100,file='profile_rate_day.csv') DO i_lev=1,n_lev write (100,"(128(e15.8,','))")pres(i_lev), temperature(i_lev), (rate_day(i_lev,i_react),i_react=1,126) END DO OPEN(101,file='profile_rate_night.csv') DO i_lev=1,n_lev write (101,"(128(e15.8,','))") pres(i_lev), temperature(i_lev), (rate_night(i_lev,i_react),i_react=1,126) END DO OPEN(102,file='profile_rate_fullday.csv') rate_day=(rate_day+rate_night)/2. DO i_lev=1,n_lev write (102,"(128(e15.8,','))") pres(i_lev), temperature(i_lev), (rate_day(i_lev,i_react),i_react=1,126) END DO PRINT*,"pression top",pres(n_lev) PRINT*,"temp top",temperature(n_lev) END IF cpt_time = cpt_time + 1 END