! STOLZENBACH Aurélien 10/12/2012 ! Reprise du modèle de photochimie 1D de Frank Lefèvre. ! Couplage avec le LMDZ_VENUS SUBROUTINE new_photochemistry_venus(nz, n_lon, ptimestep, p, t ,tr, mumean, sza_input, nesp) USE chemparam_mod implicit none INTEGER :: nz INTEGER :: nesp INTEGER :: n_lon ! n_lon utile pr différencier 3D/1D REAL, PARAMETER :: eps = 1. ! mole/cm3 init a 1 pour eviter /0. LOGICAL, SAVE :: first_call = .true. real, dimension(nz) :: conc real, dimension(nz) :: mumean ! [g/mol] real, dimension(nz) :: surfice1d, surfdust1d ! photolysis lookup table integer, parameter :: nj = 19, nztable = 201, nsza = 27, nso2 = 13 real, dimension(nso2,nsza,nztable,nj), save :: jphot real, dimension(nztable), save :: table_colair real, dimension(nso2,nztable), save :: table_colso2 real, dimension(nsza), save :: table_sza ! Compteurs et divers integer :: ij, i, iesp, jesp, iz, iiz real :: fact_SF ! Increasin/Decreasing Solar Flux ! matrix real, dimension(nesp,nesp) :: mat integer :: code integer, dimension(nesp) :: indx ! number densities real, dimension(nz,nesp) :: c real, dimension(nz,nesp) :: cold real, dimension(nz,nesp) :: cnew ! dates, angles real :: ptimestep, ctimestep real :: dist_sol, sza_input integer :: iter integer :: phychemrat integer, dimension(nz) :: cpt real, dimension(nz) :: p ! pression pour le mileu de chaque couche (en hPa) real, dimension(nz) :: t ! temperature real, dimension(nz, nesp) :: tr ! traceur real :: ratio, curv, e, e1, e2, e3 real :: time, dtg, dt, dtmin, dt_guess, dt_corrected !=================================================================== ! switches for heterogeneous chemistry ! hetero_ice : reactions on ice clouds ! hetero_dust : reactions on dust !=================================================================== logical,parameter :: hetero_ice = .false. logical,parameter :: hetero_dust = .false. ! reaction rates and indices integer, parameter :: nb_phot_max = 32 integer, parameter :: nb_reaction_3_max = 12 integer, parameter :: nb_reaction_4_max = 87 real, dimension(6*nb_phot_max) :: indice_phot real, dimension(6*nb_reaction_3_max) :: indice_3 real, dimension(8*nb_reaction_4_max) :: indice_4 real, dimension(nz,nb_phot_max) :: v_phot real, dimension(nz,nb_reaction_3_max) :: v_3 real, dimension(nz,nb_reaction_4_max) :: v_4 real, dimension(nb_reaction_4_max) :: eps_4 ! ctimestep : pas de temps chimique nominal (s) phychemrat = 1 ctimestep = ptimestep/real(phychemrat) ! dtmin : pas de temps minimum (s) dtmin = 1. ! dist_sol : distance venus - soleil dist_sol = 0.72333 ! initialisation des especes if (first_call) then call init_chimie(nj, nztable, nsza, nso2, jphot, table_colair, table_colso2, table_sza) first_call = .false. ! Initialisation des surfaces glaces et poussieres (a revoir car pas save et hetero_ice = false, probleme?) do iz=1, nz surfice1d(iz) = 0. surfdust1d(iz) = 0. end do end if ! Initialisation des conc et cold en molecule.cm-3 do iz = 1,nz conc(iz) = p(iz)/(1.38E-19*t(iz)) c(iz,:) = tr(iz,:)*conc(iz) cold(iz,:) = c(iz,:) end do ! IF (n_lon .EQ. 98) THEN ! PRINT*,'CO init',tr(:,i_co) ! END IF cpt(:) = 0 ! initialisation des indices call indice(nb_phot_max, nb_reaction_3_max, nb_reaction_4_max, & indice_phot, indice_3, indice_4) ! coefficients de photodissociation ! PRINT*,'sza_input avant phot: ',sza_input 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) ! vitesses de reaction call krates(hetero_ice,hetero_dust, nz, nesp, nj, c, conc, t, p, nb_phot_max, nb_reaction_3_max, & nb_reaction_4_max, v_3, v_4, v_phot,sza_input) ! IF (n_lon .EQ. 98) THEN ! DO iiz=1, nz ! PRINT*,'v_phot de iiz', iiz, v_phot(iiz,:) ! END DO ! PRINT*,'temperature', t ! END IF ! boucle sur les niveaux DO iz = 1,nz ! iteractions chimiques internes time = 0. iter = 0 ! initialisation du pas de temps du first-guess dt_guess = ctimestep do while (time < ptimestep) iter = iter + 1 cpt(iz) = cpt(iz) + 1 ! coefficient d'implicité call fill_eps(iz, nz, nesp, c, nb_reaction_4_max, eps_4) ! first guess : remplissage de la matrice call fill_matrix(iz, dt_guess, nz, nesp, v_phot, v_3, v_4, eps_4, c,nb_phot_max, nb_reaction_3_max, & nb_reaction_4_max, indice_phot, indice_3, indice_4, mat) ! first guess : resolution du systeme lineaire cnew(iz,:) = c(iz,:) #ifdef LAPACK call dgesv(nesp,1,mat,nesp,indx,cnew(iz,:),nesp,code) #else write(*,*) "new_photochemistry_venus error, missing LAPACK routine dgesv" stop #endif ! eliminate small values where (cnew(iz,:)/conc(iz) < 1.E-30) cnew(iz,:) = 0. end where ! test O/(O + O3) ratio = 1. ! rapport entre pas de temps courant/pas de temps du guess curv = 2.*(ratio*cnew(iz,i_o) - (1. + ratio)*c(iz,i_o) + cold(iz,i_o)) & /(1. + ratio) e1 = (curv/(cnew(iz,i_o) + cnew(iz,i_o3) + eps))*100.0E+0 e1 = abs(e1) ! test HO2/(H + OH + HO2 + 2*H2O2) ratio = 1. ! rapport entre pas de temps courant/pas de temps du guess curv = 2.*(ratio*cnew(iz,i_ho2) - (1. + ratio)*c(iz,i_ho2) + cold(iz,i_ho2)) & /(1. + ratio) e2 = (curv/(cnew(iz,i_h) + cnew(iz,i_oh) + cnew(iz,i_ho2) + & 2.*cnew(iz,i_h2o2)+ eps))*100.0E+0 e2 = abs(e2) ! test SO/(S + SO + SO2) ratio = 1. curv = 2.*(ratio*cnew(iz,i_so) - (1. + ratio)*c(iz,i_so) + cold(iz,i_so)) & /(1. + ratio) e3 = (curv/(cnew(iz,i_s) + cnew(iz,i_so) + cnew(iz,i_so2)+ eps))*100.0E+0 e3 = abs(e3) ! modification du pas de temps e = max(e1, e2) e = max(e, e3) e = max(e, 0.1) dtg = max(0.001, min(2.5,0.8/sqrt(e))) ! dtg = 1. ! décommenter pour désactiver two-step dt_corrected = max(dtmin,dtg*dt_guess) dt_corrected = min(dt_corrected,ctimestep) if (time + dt_corrected > ptimestep) then dt_corrected = ptimestep - time end if if (dt_corrected /= dt_guess) then ! alors le pas de temps a été modifié ! remplissage de la matrix call fill_matrix(iz, dt_corrected, nz, nesp, v_phot, v_3, v_4, eps_4, c,nb_phot_max, nb_reaction_3_max, & nb_reaction_4_max, indice_phot, indice_3, indice_4, mat) ! resolution du systeme lineaire cnew(iz,:) = c(iz,:) #ifdef LAPACK call dgesv(nesp,1,mat,nesp,indx,cnew(iz,:),nesp,code) #else write(*,*) "new_photochemistry_venus error, missing LAPACK routine dgesv" stop #endif end if ! eliminate small values where (cnew(iz,:)/conc(iz) < 1.E-30) cnew(iz,:) = 0. end where cold(iz,:) = c(iz,:) c(iz,:) = cnew(iz,:) cnew(iz,:) = 0.0E+0 time = time + dt_corrected dt_guess = dt_corrected ! pour first-guess à la prochaine iteration ! DO iesp=1, nesp ! IF (c(iz,iesp)/conc(iz).GT.1.0) THEN ! PRINT*,'!!!! PROBLEM CHIMIE !!!!' ! PRINT*,'!!!! PROBLEM TRAC !!!!' ! DO i=1,nesp ! PRINT*,tname(i),c(iz,i)/conc(iz) ! PRINT*,'old' ,cold(iz,i)/conc(iz) ! ENDDO ! DO i=1,nb_reaction_4_max ! PRINT*,'v_4',i,v_4(iz,i) ! ENDDO ! DO i=1,nb_reaction_3_max ! PRINT*,'v_3',i,v_3(iz,i) ! ENDDO ! DO i=1,nb_phot_max ! PRINT*,'v_phot',i,v_phot(iz,i) ! ENDDO ! PRINT*,'T',t(iz),'P',p(iz) ! PRINT*,'niv',iz,'sza',sza_input ! PRINT*,'iteration',iter ! STOP ! ENDIF ! ENDDO ! DO iesp=1, nb_reaction_4_max ! IF (v_4(iz,iesp).LT.0.0) THEN ! PRINT*,'!!!! PROBLEM CHIMIE !!!!' ! PRINT*,'!!!! PROBLEM V4 !!!!' ! DO i=1,nesp ! PRINT*,tname(i),c(iz,i)/conc(iz) ! PRINT*,'old' ,cold(iz,i)/conc(iz) ! ENDDO ! DO i=1,nb_reaction_4_max ! PRINT*,'v_4',i,v_4(iz,i) ! ENDDO ! DO i=1,nb_reaction_3_max ! PRINT*,'v_3',i,v_3(iz,i) ! ENDDO ! DO i=1,nb_phot_max ! PRINT*,'v_phot',i,v_phot(iz,i) ! ENDDO ! PRINT*,'T',t(iz),'P',p(iz) ! PRINT*,'niv',iz,'sza',sza_input ! PRINT*,'iteration',iter ! STOP ! ENDIF ! ENDDO ! DO iesp=1, nb_reaction_3_max ! IF (v_3(iz,iesp).LT.0.0) THEN ! PRINT*,'!!!! PROBLEM CHIMIE !!!!' ! PRINT*,'!!!! PROBLEM V3 !!!!' ! DO i=1,nesp ! PRINT*,tname(i),c(iz,i)/conc(iz) ! PRINT*,'old' ,cold(iz,i)/conc(iz) ! ENDDO ! DO i=1,nb_reaction_4_max ! PRINT*,'v_4',i,v_4(iz,i) ! ENDDO ! DO i=1,nb_reaction_3_max ! PRINT*,'v_3',i,v_3(iz,i) ! ENDDO ! DO i=1,nb_phot_max ! PRINT*,'v_phot',i,v_phot(iz,i) ! ENDDO ! PRINT*,'T',t(iz),'P',p(iz) ! PRINT*,'niv',iz,'sza',sza_input ! PRINT*,'iteration',iter ! STOP ! ENDIF ! ENDDO ! DO iesp=1, nb_phot_max ! IF (v_phot(iz,iesp).LT.0.0) THEN ! PRINT*,'!!!! PROBLEM CHIMIE !!!!' ! PRINT*,'!!!! PROBLEM VPHOT !!!!' ! DO i=1,nesp ! PRINT*,tname(i),c(iz,i)/conc(iz) ! PRINT*,'old' ,cold(iz,i)/conc(iz) ! ENDDO ! DO i=1,nb_reaction_4_max ! PRINT*,'v_4',i,v_4(iz,i) ! ENDDO ! DO i=1,nb_reaction_3_max ! PRINT*,'v_3',i,v_3(iz,i) ! ENDDO ! DO i=1,nb_phot_max ! PRINT*,'v_phot',i,v_phot(iz,i) ! ENDDO ! PRINT*,'T',t(iz),'P',p(iz) ! PRINT*,'niv',iz,'sza',sza_input ! PRINT*,'iteration',iter ! STOP ! ENDIF ! ENDDO end do ! while (time < ptimestep) ! Actualisation des VMR traceurs avec valeurs minimales 1E-30 tr(iz,:) = max(c(iz,:)/conc(iz),1.0E-30) END DO ! fin de boucle sur les niveaux ! DO iz = 1,nz ! PRINT*,'compteur pour niveau',iz,' = ',cpt(iz) ! END DO !PRINT*,'sza_input', sza_input !PRINT*,'CO2 surf alt',tr(1,i_co2) ,tr(nz,i_co2) !PRINT*,'CO altitude', tr(nz,i_co) !PRINT*,'HCL surf alt',tr(1,i_hcl) ,tr(nz,i_hcl) !PRINT*,'H2 surf alt',tr(1,i_h2) ,tr(nz,i_h2) !PRINT*,'O surf alt',tr(1,i_o) ,tr(nz,i_o) !PRINT*,'O3 surf alt',tr(1,i_o3) ,tr(nz,i_o3) !PRINT*,'HO2 surf alt',tr(1,i_ho2) ,tr(nz,i_ho2) !PRINT*,'H2O2 surf alt',tr(1,i_h2o2) ,tr(nz,i_h2o2) !PRINT*,'H surf alt',tr(1,i_h) ,tr(nz,i_h) !PRINT*,'S surf alt',tr(1,i_s) ,tr(nz,i_s) !PRINT*,'SO surf alt',tr(1,i_so) ,tr(nz,i_so) !PRINT*,'SO2 surf alt',tr(1,i_so2) ,tr(nz,i_so2) !================== !!!!! MODEL 1D !!!! ==> n_lon = 1 !!!! !================== IF(n_lon .EQ. 1) THEN PRINT*,'On est en 1D' !PRINT*,"DEBUT rate_save" CALL rate_save(nz,p(:),t(:),tr(:,:),nesp,v_phot(:,:),v_3(:,:),v_4(:,:)) !PRINT*,"FIN rate_save" END IF end subroutine new_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 !!! ! GG TESTS increasing/decreasing Solar Flux !fact_SF = 5. ! jphot(iso2,isza,iz,ij)=jphot(iso2,isza,iz,ij)*0.2 ! print*,'!!! WARNING !!!: You are Modifying Solar flux by a factor:' ! print*, ' Please check new_chemistry* and sw_venus_rh ' !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! if (jphot(iso2,isza,iz,ij) == 1.E-30) then jphot(iso2,isza,iz,ij) = 0. end if end do end do ! print*, "sza_input = ", table_sza(isza) end do end do close(30) print*,'lecture de la table des j ok.' end subroutine init_chimie !====================================================================== !====================================================================== subroutine indice(nb_phot_max, nb_reaction_3_max, nb_reaction_4_max, & indice_phot, indice_3, indice_4) !OUTPUT: indice_phot, indice_3, indice_4 !================================================================ ! 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 chemparam_mod implicit none integer :: nb_phot_max, nb_reaction_3_max, nb_reaction_4_max integer :: i_dummy ! reaction rates and indices integer :: nb_phot, nb_reaction_3, nb_reaction_4 real, dimension(6*nb_phot_max) :: indice_phot real, dimension(6*nb_reaction_3_max) :: indice_3 real, dimension(8*nb_reaction_4_max) :: indice_4 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(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o2 indice_phot(6*(nb_phot - 1) + 3) = 2 indice_phot(6*(nb_phot - 1) + 4) = i_o indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! O2 + hv -> O + O(1D) !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o1d !=========================================================== ! CO2 + hv -> CO + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_co2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_co indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! CO2 + hv -> CO + O(1D) !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_co2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_co indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o1d !=========================================================== ! O3 + hv -> O2(Dg) + O(1D) !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o3 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o2dg indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o1d !=========================================================== ! O3 + hv -> O2 + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o3 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o2 indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! H2O + hv -> H + OH !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_h2o indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_h indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_oh !=========================================================== ! HO2 + hv -> OH + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_ho2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_oh indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! H2O2 + hv -> OH + OH !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_h2o2 indice_phot(6*(nb_phot - 1) + 3) = 2 indice_phot(6*(nb_phot - 1) + 4) = i_oh indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! HCl + hv -> H + Cl !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_hcl indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_h indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_cl !=========================================================== ! Cl2 + hv -> Cl + Cl !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_cl2 indice_phot(6*(nb_phot - 1) + 3) = 2 indice_phot(6*(nb_phot - 1) + 4) = i_cl indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! HOCl + hv -> OH + Cl !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_hocl indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_oh indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_cl !=========================================================== ! SO2 + hv -> SO + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_so2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_so indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! SO + hv -> S + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_so indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_s indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! SO3 + hv -> SO2 + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_so3 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_so2 indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! ClO + hv -> Cl + O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_clo indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_cl indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_o !=========================================================== ! OCS + hv -> CO + S !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_ocs indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_co indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_s !=========================================================== ! COCl2 + hv -> Cl + Cl + CO !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_cocl2 indice_phot(6*(nb_phot - 1) + 3) = 2 indice_phot(6*(nb_phot - 1) + 4) = i_cl indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_co !=========================================================== ! H2SO4 + hv -> SO3 + H2O !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_h2so4 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_so3 indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_h2o !=========================================================== ! a001 : O + O2 + CO2 -> O3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! a002 : O + O + CO2 -> O2(Dg) + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_o indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_o2dg indice_3(6*(nb_reaction_3 - 1) + 5) = 0 indice_3(6*(nb_reaction_3 - 1) + 6) = i_dummy !=========================================================== ! a003 : O + O3 -> O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 2 indice_4(8*(nb_reaction_4 - 1) + 6) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! b001 : O(1D) + CO2 -> O + CO2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o1d indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! b002 : O(1D) + H2O -> OH + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 5) = 2 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! b003 : O(1D) + H2 -> OH + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! b004 : O(1D) + O2 -> O + O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o1d indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! b005 : O(1D) + O3 -> O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 2 indice_4(8*(nb_reaction_4 - 1) + 6) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! b006 : O(1D) + O3 -> O2 + O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 7) = 2 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o !=========================================================== ! c001 : O + HO2 -> OH + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! c002 : O + OH -> O2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! c003 : H + O3 -> OH + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_h indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! c004 : H + HO2 -> OH + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_h indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 2 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! c005 : H + HO2 -> H2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_h indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! c006 : H + HO2 -> H2O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_h indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o !=========================================================== ! c007 : OH + HO2 -> H2O + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_oh indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! c008 : HO2 + HO2 -> H2O2 + O2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_ho2 indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_h2o2 indice_3(6*(nb_reaction_3 - 1) + 5) = 1 indice_3(6*(nb_reaction_3 - 1) + 6) = i_o2 !=========================================================== ! c009 : OH + H2O2 -> H2O + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_oh indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_ho2 !=========================================================== ! c010 : OH + H2 -> H2O + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_oh indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! c011 : H + O2 + CO2 -> HO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_h indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! c012 : O + H2O2 -> OH + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_ho2 !=========================================================== ! c013 : OH + OH -> H2O + O !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_oh indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_h2o indice_3(6*(nb_reaction_3 - 1) + 5) = 1 indice_3(6*(nb_reaction_3 - 1) + 6) = i_o !=========================================================== ! c014 : OH + O3 -> HO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_oh indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! c015 : HO2 + O3 -> OH + O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 2 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! c016 : HO2 + HO2 + CO2 -> H2O2 + O2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_ho2 indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_h2o2 indice_3(6*(nb_reaction_3 - 1) + 5) = 1 indice_3(6*(nb_reaction_3 - 1) + 6) = i_o2 !=========================================================== ! c017 : OH + OH + CO2 -> H2O2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_oh indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_h2o2 indice_3(6*(nb_reaction_3 - 1) + 5) = 0 indice_3(6*(nb_reaction_3 - 1) + 6) = i_dummy !=========================================================== ! c018 : H + H + CO2 -> H2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_h indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_h2 indice_3(6*(nb_reaction_3 - 1) + 5) = 0 indice_3(6*(nb_reaction_3 - 1) + 6) = i_dummy !=========================================================== ! e001 : CO + OH -> CO2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_co indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_co2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! e002 : CO + O + M -> CO2 + M !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_co indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_co2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! f001 : HCl + O(1D) -> OH + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f002 : HCl + O(1D) -> H + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_clo !=========================================================== ! f003 : HCl + O -> OH + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f004 : HCl + OH -> H2O + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f005 : ClO + O -> Cl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clo indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! f006 : ClO + OH -> Cl + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clo indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_ho2 !=========================================================== ! f007 : ClO + OH -> HCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clo indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! f008 : Cl + H2 -> HCl + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! f009 : Cl + O3 -> ClO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clo indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! f010 : Cl + HO2 -> ClO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clo indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_oh !=========================================================== ! f011 : Cl + HO2 -> HCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! f012 : Cl + H2O2 -> HCl + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_ho2 !=========================================================== ! f013 : Cl + CO + CO2 -> ClCO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_co indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clco indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! f014 : ClCO + CO2 -> Cl + CO + CO2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_clco indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_cl indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_co !=========================================================== ! f015 : ClCO + O2 + CO2 -> ClCO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = 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(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_cl indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_cl indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clo indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = 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(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co2 !=========================================================== ! f018 : ClO + HO2 -> HOCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clo indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hocl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! f019 : OH + HOCl -> H2O + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_oh indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_hocl indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_clo !=========================================================== ! f020 : O + HOCl -> OH + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_o indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_hocl indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_oh indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_clo !=========================================================== ! f021 : Cl + Cl + CO2 -> Cl2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_cl indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_cl2 indice_3(6*(nb_reaction_3 - 1) + 5) = 0 indice_3(6*(nb_reaction_3 - 1) + 6) = i_dummy !=========================================================== ! f022 : ClCO + O -> Cl + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co2 !=========================================================== ! f023 : Cl2 + O(1D) -> Cl + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o1d indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_clo !=========================================================== ! f024 : Cl2 + H -> HCl + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f025 : Cl + ClCO -> Cl2 + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_clco indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co !=========================================================== ! f026 : ClCO + ClCO -> COCl2 + CO !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_clco indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_cocl2 indice_3(6*(nb_reaction_3 - 1) + 5) = 1 indice_3(6*(nb_reaction_3 - 1) + 6) = i_co !=========================================================== ! f027 : Cl + SO2 + CO2 -> ClSO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clso2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! f028 : ClSO2 + O -> SO2 + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clso2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_clo !=========================================================== ! f029 : ClSO2 + H -> SO2 + HCl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clso2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_hcl !=========================================================== ! f030 : ClSO2 + ClSO2 -> Cl2 + SO2 + SO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_clso2 indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_cl2 indice_3(6*(nb_reaction_3 - 1) + 5) = 2 indice_3(6*(nb_reaction_3 - 1) + 6) = i_so2 !=========================================================== ! f031 : Cl + O + CO2 -> ClO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clo indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! f032 : Cl2 + O -> ClO + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_clo indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f033 : ClCO + OH -> HOCl + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hocl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co !=========================================================== ! f034 : Cl2 + OH -> Cl + HOCl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_hocl !=========================================================== ! f035 : ClCO + O -> CO + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_co indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_clo !=========================================================== ! f036 : ClCO + Cl2 -> COCl2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_cl2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cocl2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f037 : HCl + H -> H2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! f038 : ClCO + H -> HCl + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co !=========================================================== ! f039 : Cl + H + M -> HCl + M !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_cl indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hcl indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g001 : S + O2 -> SO + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o !=========================================================== ! g002 : S + O3 -> SO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! g003 : SO + O2 -> SO2 + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o !=========================================================== ! g004 : SO + O3 -> SO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! g005 : SO + OH -> SO2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! g006 : S + OH -> SO + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_h !=========================================================== ! g007 : SO + O + CO2 -> SO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g008 : SO + HO2 -> SO2 + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_oh !=========================================================== ! g009 : SO2 + O + CO2 -> SO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so3 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g010 : S + O + CO2 -> SO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g011 : SO3 + H2O -> H2SO4 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so3 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_h2o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_h2so4 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g012 : SO + ClO -> SO2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_clo indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! g013 : SO + SO3 -> SO2 + SO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_so3 indice_4(8*(nb_reaction_4 - 1) + 5) = 2 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g014 : SO3 + O -> SO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so3 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_o2 !=========================================================== ! g015 : SO + SO + CO2 -> S2O2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_so indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_s2o2 indice_3(6*(nb_reaction_3 - 1) + 5) = 0 indice_3(6*(nb_reaction_3 - 1) + 6) = i_dummy !=========================================================== ! g016 : S2O2 + CO2 -> SO + SO + CO2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_s2o2 indice_phot(6*(nb_phot - 1) + 3) = 2 indice_phot(6*(nb_phot - 1) + 4) = i_so indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = 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(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_so indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_cl indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco3 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_so indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co2 !=========================================================== ! g018 : S + CO + CO2 -> OCS + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_co indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g019 : ClCO + S -> OCS + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_clco indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_s indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! g020 : SO2 + OH + CO2 -> HSO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_oh indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_hso3 indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy !=========================================================== ! g021 : HSO3 + O2 -> HO2 + SO3 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_hso3 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_so3 !=========================================================== ! g022 : S + S + CO2 -> S2 + CO2 !=========================================================== nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_s indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_s2 indice_3(6*(nb_reaction_3 - 1) + 5) = 0 indice_3(6*(nb_reaction_3 - 1) + 6) = i_dummy !=========================================================== ! g023 : S2 + hv -> S + S !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_s2 indice_phot(6*(nb_phot - 1) + 3) = 2 indice_phot(6*(nb_phot - 1) + 4) = i_s indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! g024 : S2 + O -> SO + S !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s2 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_s !=========================================================== ! g025 : S + OCS -> S2 + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_s2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co !=========================================================== ! g026 : OCS + O -> SO + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_o indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co !=========================================================== ! g027 : S + SO3 -> SO2 + SO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_so3 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_so !=========================================================== ! g028 : S + HO2 -> SO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ho2 indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_oh !=========================================================== ! g029 : S + ClO -> SO + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_clo indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_cl !=========================================================== ! g030: h2so4 + h2o -> so3 + h2o + h2o !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_h2so4 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_so3 indice_phot(6*(nb_phot - 1) + 5) = 1 indice_phot(6*(nb_phot - 1) + 6) = i_h2o !=========================================================== ! g031: so3 + ocs -> s2o2 + co2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 1 indice_4(8*(nb_reaction_4 - 1) + 2) = i_so3 indice_4(8*(nb_reaction_4 - 1) + 3) = 1 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_s2o2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_co2 !=========================================================== ! g032: 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(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s2o2 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_co indice_4(8*(nb_reaction_4 - 1) + 7) = 0 indice_4(8*(nb_reaction_4 - 1) + 8) = i_dummy nb_reaction_4 = nb_reaction_4 + 1 indice_4(8*(nb_reaction_4 - 1) + 1) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 2) = i_s2o2 indice_4(8*(nb_reaction_4 - 1) + 3) = 0.5 indice_4(8*(nb_reaction_4 - 1) + 4) = i_ocs indice_4(8*(nb_reaction_4 - 1) + 5) = 1 indice_4(8*(nb_reaction_4 - 1) + 6) = i_so2 indice_4(8*(nb_reaction_4 - 1) + 7) = 1 indice_4(8*(nb_reaction_4 - 1) + 8) = i_s2 !=========================================================== ! g033: so + so -> so2 + s !=========================================================== ! Krasnopolsky 2012 from Martinez & Heron 1983 or Moses et al 2002 nb_reaction_3 = nb_reaction_3 + 1 indice_3(6*(nb_reaction_3 - 1) + 1) = 2 indice_3(6*(nb_reaction_3 - 1) + 2) = i_so indice_3(6*(nb_reaction_3 - 1) + 3) = 1 indice_3(6*(nb_reaction_3 - 1) + 4) = i_so2 indice_3(6*(nb_reaction_3 - 1) + 5) = 1 indice_3(6*(nb_reaction_3 - 1) + 6) = i_s !=========================================================== ! h001: HO2 + ice -> products ! treated as ! HO2 -> 0.5 H2O + 0.75 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_ho2 indice_phot(6*(nb_phot - 1) + 3) = 0.5 indice_phot(6*(nb_phot - 1) + 4) = i_h2o indice_phot(6*(nb_phot - 1) + 5) = 0.75 indice_phot(6*(nb_phot - 1) + 6) = i_o2 !=========================================================== ! h002: OH + ice -> products ! treated as ! OH -> 0.5 H2O + 0.25 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_oh indice_phot(6*(nb_phot - 1) + 3) = 0.5 indice_phot(6*(nb_phot - 1) + 4) = i_h2o indice_phot(6*(nb_phot - 1) + 5) = 0.25 indice_phot(6*(nb_phot - 1) + 6) = i_o2 !=========================================================== ! h003: H2O2 + ice -> products ! treated as ! H2O2 -> H2O + 0.5 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_h2o2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_h2o indice_phot(6*(nb_phot - 1) + 5) = 0.5 indice_phot(6*(nb_phot - 1) + 6) = i_o2 !=========================================================== ! h004: HO2 + dust -> products ! treated as ! HO2 -> 0.5 H2O + 0.75 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_ho2 indice_phot(6*(nb_phot - 1) + 3) = 0.5 indice_phot(6*(nb_phot - 1) + 4) = i_h2o indice_phot(6*(nb_phot - 1) + 5) = 0.75 indice_phot(6*(nb_phot - 1) + 6) = i_o2 !=========================================================== ! h005: H2O2 + dust -> products ! treated as ! H2O2 -> H2O + 0.5 O2 !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_h2o2 indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_h2o indice_phot(6*(nb_phot - 1) + 5) = 0.5 indice_phot(6*(nb_phot - 1) + 6) = i_o2 !=========================================================== ! i001: O2(Dg) + CO2 -> O2 + CO2 + hv !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o2dg indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o2 indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy !=========================================================== ! i002: O2(Dg) -> O2 + hv !=========================================================== nb_phot = nb_phot + 1 indice_phot(6*(nb_phot - 1) + 1) = 1 indice_phot(6*(nb_phot - 1) + 2) = i_o2dg indice_phot(6*(nb_phot - 1) + 3) = 1 indice_phot(6*(nb_phot - 1) + 4) = i_o2 indice_phot(6*(nb_phot - 1) + 5) = 0 indice_phot(6*(nb_phot - 1) + 6) = i_dummy ! check dimensions !print*, 'nb_phot = ', nb_phot !print*, 'nb_reaction_4 = ', nb_reaction_4 !print*, 'nb_reaction_3 = ', nb_reaction_3 !print*, 'check dimension' if ((nb_phot .NE. nb_phot_max) .or. & (nb_reaction_3 .NE. nb_reaction_3_max) .or. & (nb_reaction_4 .NE. 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 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 do i = 1,nztable 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 ! fill v_phot array do ij = 1,nj v_phot(:,ij) = j(:,ij) end do !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, nz, nesp, nj, c, conc, t, p, nb_phot_max, nb_reaction_3_max, nb_reaction_4_max, v_3, v_4, v_phot,sza_input) !================================================================ ! 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 implicit none real, INTENT(IN), dimension(nz) :: t, p, conc integer, INTENT(IN) :: nesp, nj, nz real, INTENT(IN) :: sza_input integer :: iz logical, INTENT(IN) :: hetero_ice, hetero_dust real :: ak0, ak1, xpo, rate, pi, gam, bid real :: k1a0, k1b0, k1ainf, k1a, k1b, fc, fx, x, y 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, & 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, g033, & h001, h002, h003, h004, h005, & i001, i002 real, INTENT(IN), dimension(nz,nesp) :: c integer :: nb_phot_max, nb_reaction_3_max, nb_reaction_4_max, nb_reaction_3, nb_reaction_4, nb_phot real, dimension(nz,nb_phot_max) :: v_phot real, dimension(nz,nb_reaction_3_max) :: v_3 real, dimension(nz,nb_reaction_4_max) :: v_4 pi = acos(-1.) nb_phot = nj nb_reaction_3 = 0 nb_reaction_4 = 0 !---------------------------------------------------------------------- ! reactions avec ox !---------------------------------------------------------------------- !--- a001: o + o2 + co2 -> o3 + co2 ! jpl 2003 a001(:) = 2.5*6.0E-34*(t(:)/300.)**(-2.4)*conc(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = a001(:) !--- a002: o + o + co2 -> o2 + co2 ! Tsang and Hampson, J. Chem. Phys. Ref. Data, 15, 1087, 1986 ! a002(:) = 2.5*5.2E-35*exp(900./t(:))*conc(:) ! Campbell and Gray, Chem. Phys. Lett., 18, 607, 1973 a002(:) = 2.5*9.46E-34*exp(485./t(:))*conc(:) ! nist expression nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = a002(:) !--- 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 2003 ! b003(:) = 1.1E-10 ! jpl 2016 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 2003 ! c002(:) = 2.2E-11*exp(120./t(:)) ! jpl 2016 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 2006 ! c008(:) = 3.5E-13*exp(430./t(:)) ! christensen et al., grl, 13, 2002 ! c008(:) = 1.5E-12*exp(19./t(:)) ! jpl 2016 c008(:) = 3.0E-13*exp(460./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 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 2003 ! c016(:) = 2.5*1.7E-33*exp(1000./t(:))*conc(:) ! jpl 2016 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(:)) !--- d002: no + o3 -> no2 + o2 ! jpl 2006 d002(:) = 3.0E-12*exp(-1500./t(:)) !--- d003: no + ho2 -> no2 + oh ! jpl 2006 d003(:) = 3.5E-12*exp(250./t(:)) !---------------------------------------------------------------------- ! reactions des composes carbones !---------------------------------------------------------------------- !--- e001: oh + co -> co2 + h ! jpl 2003 ! e001(:) = 1.5E-13*(1 + 0.6*p(:)/1013.) ! mccabe et al., grl, 28, 3135, 2001 ! e001(:) = 1.57E-13 + 3.54E-33*conc(:) ! jpl 2006 ! ak0 = 1.5E-13*(t(:)/300.)**(0.6) ! ak1 = 2.1E-9*(t(:)/300.)**(6.1) ! rate1 = ak0/(1. + ak0/(ak1/conc(:))) ! xpo1 = 1./(1. + alog10(ak0/(ak1/conc(:)))**2) ! ak0 = 5.9E-33*(t(:)/300.)**(-1.4) ! ak1 = 1.1E-12*(t(:)/300.)**(1.3) ! rate2 = (ak0*conc(:))/(1. + ak0*conc(:)/ak1) ! xpo2 = 1./(1. + alog10((ak0*conc(:))/ak1)**2) ! e001(:) = rate1*0.6**xpo1 + rate2*0.6**xpo2 ! 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)))) ! corrige de l'erreur publi 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)) ! corrige de l'erreur publi k1a = k1a0*((1. + y)/(1. + x))*fx k1b = k1b0*(1./(1.+x))*fx e001(iz) = k1a + k1b 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 2006 ! f004(:) = 2.6E-12*exp(-350./t(:)) ! jpl 2016 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 2006 ! f010(:) = 4.1E-11*exp(-450./t(:)) ! jpl 2016 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 2006 ! f011(:) = 1.8E-11*exp(170./t(:)) ! jpl 2016 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 f018(:) = 2.7E-12*exp(220./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 ! g001(:) = 2.3E-12 ! jpl 2016 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 g002(:) = 1.2E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g002(:) !--- g003: so + o2 -> so2 + o ! g003(:) = 1.25E-13*exp(-2190./t(:)) ! jpl 2016 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 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 g005(:) = 2.7E-11*exp(335./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g005(:) !--- g006: s + oh -> so + h 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 ! jpl 2011 ! Naido 2005 ! do iz = 1,nz ! ak0 = 2.5*1.8E-33*(t(iz)/300.)**(2.0) ! ak1 = 4.2E-14*(t(iz)/300.)**(1.8) ! rate = (ak0*conc(iz))/(1. + ak0*conc(iz)/ak1) ! xpo = 1./(1. + alog10((ak0*conc(iz))/ak1)**2) ! g009(iz) = rate*0.6**xpo ! g009(iz) = 0.0E+0 ! end do do iz = 1,nz ak0 = 5.*9.5*1.E-23*(t(iz)**(-3.0))*EXP(-2400./t(iz)) ak1 = 6.1*1.E-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 ! g009(iz) = 0.0E+0 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 + M -> h2so4 + M !--- avec M = h2o DO iz=1,nz ! jpl 2011 ! g011(:) = 8.5E-21*exp(6540./t(:))*c(:,i_h2o) g011(iz) = 2.26E-23*MAX(t(iz),100.)*exp(6540./MAX(t(iz),100.)) & *c(iz,i_h2o) g011(iz) = g011(iz)*1.0E-20 ! g011(:) = 0. ! SANS H2SO4 ENDDO 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 + co2 -> s + s + co2 ! chase et al., 1985 ! deq(:) = 2.68E-25*exp(50860./t(:)) ! g023(:) = g022(:)/(deq(:)*conc(:)) ! nb_phot = nb_phot + 1 ! v_phot(:,nb_phot) = g023(:)*conc(:) ! Changement pour g023 ==> s2 + hv -> s + s ! Pas encore inclu dans la table jphot ! Pas de photodissociation sous le nuage photochimique g023(1:28) = 0.0E+0 ! Dependance en sza pour la photodissociation ! moins de W.m-2 IF (sza_input.LT.90.0) THEN g023(29:50) = 6.5E-3*COS(sza_input*pi/180.0) ELSE g023(29:50) = 0.0E+0 END IF nb_phot = nb_phot + 1 v_phot(:,nb_phot) = g023(:) !--- g024: s2 + o -> so + s ! zhang et al., icarus, 2011 g024(:) = 2.2E-11*exp(-84./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g024(:) !--- g025: s + ocs -> s2 + co ! lu et al., j. chem. phys., 2006 g025(:) = 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) = g025(:) !--- g026: ocs + o -> so + co ! atkinson et al., 2004 g026(:) = 1.60E-11*exp(-2150./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g026(:) !--- g027: s + so3 -> so2 + so ! moses et al., 2002 g027(:) = 1.0E-16 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g027(:) !--- g028: s + ho2 -> so + oh ! yung and demore, 1982 g028(:) = 3.0E-11*exp(200./t(:)) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g028(:) !--- g029: s + clo -> so + cl ! moses et al., 2002 g029(:) = 4.0E-11 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g029(:) !--- g030: h2so4 + h2o -> so3 + h2o + h2o ! krasnopolsky , 2007 g030(:) = 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) = g030(:)*c(:,i_h2o) ! v_phot(:,nb_phot) = 0.0E+0 !--- g031: so3 + ocs -> s2o2 + co2 ! krasnopolsky , 2007 g031(:) = 1.0E-11*exp(-10000./t(:)) ! g031(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g031(:) !--- g032: s2o2 + ocs -> co + so2 + s2 ! decomposee en ! 0.5 s2o2 + 0.5 ocs -> co ! 0.5 s2o2 + 0.5 ocs -> so2 + s2 ! krasnopolsky , 2007 g032(:) = 1.0E-20 ! g032(:) = 0.0E+0 nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g032(:) nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = g032(:) ! g033: so + so -> so2 + s ! Krasnopolsky 2012 from Martinez & Heron 1983 or Moses et al 2002 ! g033(:) = 3.5E-15 g033(:) =1.0E-12*exp(-1700.0/t(:)) nb_reaction_3 = nb_reaction_3 + 1 v_3(:,nb_reaction_3) = g033(:) !---------------------------------------------------------------------- ! 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 if (hetero_dust) then !--- h004: ho2 + dust -> products ! jacob, 2000: gamma = 0.2 ! see dereus et al., atm. chem. phys., 2005 gam = 0.2 h004(:) = surfdust1d(:)*1.E-8 & *100.*sqrt(8.*8.31*t(:)/(33.E-3*pi))*gam/4. !--- h005: h2o2 + dust -> products ! gamma = 5.E-4 ! see dereus et al., atm. chem. phys., 2005 gam = 5.E-4 h005(:) = surfdust1d(:)*1.E-8 & *100.*sqrt(8.*8.31*t(:)/(34.E-3*pi))*gam/4. else h004(:) = 0. h005(:) = 0. end if nb_phot = nb_phot + 1 v_phot(:,nb_phot) = h004(:) nb_phot = nb_phot + 1 v_phot(:,nb_phot) = h005(:) ! print*, 'krates : nb_phot = ', nb_phot ! print*, 'krates : nb_reaction_4 = ', nb_reaction_4 ! print*, 'krates : nb_reaction_3 = ', nb_reaction_3 ! stop !---------------------------------------------------------------------- ! reactions avec 02(Dg) !---------------------------------------------------------------------- !--- i001: O2(Dg) + CO2 -> O2 + CO2 + hv ! Krasnopolsky (2010a) i001(:) = 1.E-20 nb_phot = nb_phot + 1 v_phot(:,nb_phot) = i001(:)*c(:,i_co2) !--- i002: O2(Dg) -> O2 + hv ! Lafferty et al; (1998) i002(:) = 2.2E-4 nb_phot = nb_phot + 1 v_phot(:,nb_phot) = i002(:) return end subroutine krates !====================================================================== subroutine fill_eps(iz, nz, nesp, c, nb_reaction_4_max, eps_4) !====================================================================== USE chemparam_mod implicit none integer :: i4, iz, nb_reaction_4 real :: ep = 1.E-3 integer, INTENT(IN) :: nz, nesp, nb_reaction_4_max real, dimension(nb_reaction_4_max), INTENT(OUT) :: eps_4 ! number densities real, dimension(nz,nesp) :: c nb_reaction_4 = 0 eps_4(:) = 0.5 !=========================================================== ! a001 : O + O2 + CO2 -> O3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o)/(c(iz,i_o) + c(iz,i_o2) + ep) !=========================================================== ! a003 : O + O3 -> O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o)/(c(iz,i_o) + c(iz,i_o3) + ep) !=========================================================== ! b002 : O(1D) + H2O -> OH + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o1d)/(c(iz,i_o1d) + c(iz,i_h2o) + ep) !=========================================================== ! b003 : O(1D) + H2 -> OH + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o1d)/(c(iz,i_o1d) + c(iz,i_h2) + ep) !=========================================================== ! b005 : O(1D) + O3 -> O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o1d)/(c(iz,i_o1d) + c(iz,i_o3) + ep) !=========================================================== ! b006 : O(1D) + O3 -> O2 + O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o1d)/(c(iz,i_o1d) + c(iz,i_o3) + ep) !=========================================================== ! c001 : O + HO2 -> OH + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o)/(c(iz,i_o) + c(iz,i_ho2) + ep) !=========================================================== ! c002 : O + OH -> O2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o)/(c(iz,i_o) + c(iz,i_oh) + ep) !=========================================================== ! c003 : H + O3 -> OH + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_h)/(c(iz,i_h) + c(iz,i_o3) + ep) !=========================================================== ! c004 : H + HO2 -> OH + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_h)/(c(iz,i_h) + c(iz,i_ho2) + ep) !=========================================================== ! c005 : H + HO2 -> H2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_h)/(c(iz,i_h) + c(iz,i_ho2) + ep) !=========================================================== ! c006 : H + HO2 -> H2O + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_h)/(c(iz,i_h) + c(iz,i_ho2) + ep) !=========================================================== ! c007 : OH + HO2 -> H2O + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_oh)/(c(iz,i_oh) + c(iz,i_ho2) + ep) !=========================================================== ! c009 : OH + H2O2 -> H2O + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_oh)/(c(iz,i_oh) + c(iz,i_h2o2) + ep) !=========================================================== ! c010 : OH + H2 -> H2O + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_oh)/(c(iz,i_oh) + c(iz,i_h2) + ep) !=========================================================== ! c011 : H + O2 + CO2 -> HO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_h)/(c(iz,i_h) + c(iz,i_o2) + ep) !=========================================================== ! c012 : O + H2O2 -> OH + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o)/(c(iz,i_o) + c(iz,i_h2o2) + ep) !=========================================================== ! c014 : OH + O3 -> HO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_oh)/(c(iz,i_oh) + c(iz,i_o3) + ep) !=========================================================== ! c015 : HO2 + O3 -> OH + O2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_ho2)/(c(iz,i_ho2) + c(iz,i_o3) + ep) !=========================================================== ! e001 : CO + OH -> CO2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_co)/(c(iz,i_oh) + c(iz,i_co) + ep) !=========================================================== ! e002 : CO + O + M -> CO2 + M !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_co)/(c(iz,i_o) + c(iz,i_co) + ep) !=========================================================== ! f001 : HCl + O(1D) -> OH + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_hcl)/(c(iz,i_hcl) + c(iz,i_o1d) + ep) !=========================================================== ! f002 : HCl + O(1D) -> H + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_hcl)/(c(iz,i_hcl) + c(iz,i_o1d) + ep) !=========================================================== ! f003 : HCl + O -> OH + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_hcl)/(c(iz,i_hcl) + c(iz,i_o) + ep) !=========================================================== ! f004 : HCl + OH -> H2O + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_hcl)/(c(iz,i_hcl) + c(iz,i_oh) + ep) !=========================================================== ! f005 : ClO + O -> Cl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clo)/(c(iz,i_clo) + c(iz,i_o) + ep) !=========================================================== ! f006 : ClO + OH -> Cl + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clo)/(c(iz,i_clo) + c(iz,i_oh) + ep) !=========================================================== ! f007 : ClO + OH -> HCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clo)/(c(iz,i_clo) + c(iz,i_oh) + ep) !=========================================================== ! f008 : Cl + H2 -> HCl + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_h2) + ep) !=========================================================== ! f009 : Cl + O3 -> ClO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_o3) + ep) !=========================================================== ! f010 : Cl + HO2 -> ClO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_ho2) + ep) !=========================================================== ! f011 : Cl + HO2 -> HCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_ho2) + ep) !=========================================================== ! f012 : Cl + H2O2 -> HCl + HO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_h2o2) + ep) !=========================================================== ! f013 : Cl + CO + CO2 -> ClCO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_co) + ep) !=========================================================== ! f015 : ClCO + O2 + M -> ClCO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_o2) + ep) !=========================================================== ! f016 : 0.5 ClCO3 + 0.5 Cl -> Cl + 0.5 CO2 ! 0.5 ClCO3 + 0.5 Cl -> ClO + 0.5 CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco3)/(c(iz,i_clco3) + c(iz,i_cl) + ep) nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco3)/(c(iz,i_clco3) + c(iz,i_cl) + ep) !=========================================================== ! f017 : 0.5 ClCO3 + 0.5 O -> Cl ! 0.5 ClCO3 + 0.5 O -> O2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco3)/(c(iz,i_clco3) + c(iz,i_o) + ep) nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco3)/(c(iz,i_clco3) + c(iz,i_o) + ep) !=========================================================== ! f018 : ClO + HO2 -> HOCl + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clo)/(c(iz,i_clo) + c(iz,i_ho2) + ep) !=========================================================== ! f019 : OH + HOCl -> H2O + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_oh)/(c(iz,i_oh) + c(iz,i_hocl) + ep) !=========================================================== ! f020 : O + HOCl -> OH + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_o)/(c(iz,i_o) + c(iz,i_hocl) + ep) !=========================================================== ! f022 : ClCO + O -> Cl + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_o) + ep) !=========================================================== ! f023 : Cl2 + O(1D) -> Cl + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl2)/(c(iz,i_cl2) + c(iz,i_o1d) + ep) !=========================================================== ! f024 : Cl2 + H -> HCl + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl2)/(c(iz,i_cl2) + c(iz,i_h) + ep) !=========================================================== ! f025 : Cl + ClCO -> Cl2 + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_clco) + ep) !=========================================================== ! f027 : Cl + SO2 + CO2 -> ClSO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_so2) + ep) !=========================================================== ! f028 : ClSO2 + O -> SO2 + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clso2)/(c(iz,i_clso2) + c(iz,i_o) + ep) !=========================================================== ! f029 : ClSO2 + H -> SO2 + HCl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clso2)/(c(iz,i_clso2) + c(iz,i_h) + ep) !=========================================================== ! f031 : Cl + O + CO2 -> ClO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_o) + ep) !=========================================================== ! f032 : Cl2 + O -> ClO + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl2)/(c(iz,i_cl2) + c(iz,i_o) + ep) !=========================================================== ! f033 : ClCO + OH -> HOCl + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_oh) + ep) !=========================================================== ! f034 : Cl2 + OH -> Cl + HOCl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl2)/(c(iz,i_cl2) + c(iz,i_oh) + ep) !=========================================================== ! f035 : ClCO + O -> CO + ClO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_o) + ep) !=========================================================== ! f036 : ClCO + Cl2 -> COCl2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_cl2) + ep) !=========================================================== ! f037 : HCl + H -> H2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_hcl)/(c(iz,i_hcl) + c(iz,i_h) + ep) !=========================================================== ! f038 : ClCO + H -> HCl + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_h) + ep) !=========================================================== ! f039 : Cl + H + M -> HCl + M !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_cl)/(c(iz,i_cl) + c(iz,i_h) + ep) !=========================================================== ! g001 : S + O2 -> SO + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_o2) + ep) !=========================================================== ! g002 : S + O3 -> SO + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_o3) + ep) !=========================================================== ! g003 : SO + O2 -> SO2 + O !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_o2) + ep) !=========================================================== ! g004 : SO + O3 -> SO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_o3) + ep) !=========================================================== ! g005 : SO + OH -> SO2 + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_oh) + ep) !=========================================================== ! g006 : S + OH -> SO + H !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_oh) + ep) !=========================================================== ! g007 : SO + O + CO2 -> SO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_o) + ep) !=========================================================== ! g008 : SO + HO2 -> SO2 + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_ho2) + ep) !=========================================================== ! g009 : SO2 + O + CO2 -> SO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so2)/(c(iz,i_so2) + c(iz,i_o) + ep) !=========================================================== ! g010 : S + O + CO2 -> SO + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_o) + ep) !=========================================================== ! g011 : SO3 + H2O -> H2SO4 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so3)/(c(iz,i_so3) + c(iz,i_h2o) + ep) !=========================================================== ! g012 : SO + ClO -> SO2 + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_clo) + ep) !=========================================================== ! g013 : SO + SO3 -> SO2 + SO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so)/(c(iz,i_so) + c(iz,i_so3) + ep) !=========================================================== ! g014 : SO3 + O -> SO2 + O2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so3)/(c(iz,i_so3) + c(iz,i_o) + ep) !=========================================================== ! g017 : 0.5 ClCO3 + 0.5 SO -> Cl ! 0.5 ClCO3 + 0.5 SO -> SO2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco3)/(c(iz,i_clco3) + c(iz,i_so) + ep) nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco3)/(c(iz,i_clco3) + c(iz,i_so) + ep) !=========================================================== ! g018 : S + CO + CO2 -> OCS + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_co) + ep) !=========================================================== ! g019 : ClCO + S + -> OCS + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_clco)/(c(iz,i_clco) + c(iz,i_s) + ep) !=========================================================== ! g020 : SO2 + OH + CO2 -> HSO3 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so2)/(c(iz,i_so2) + c(iz,i_oh) + ep) !=========================================================== ! g021 : HSO3 + O2 -> HO2 + SO3 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_hso3)/(c(iz,i_hso3) + c(iz,i_o2) + ep) !=========================================================== ! g024 : S2 + O -> SO + S !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s2)/(c(iz,i_s2) + c(iz,i_o) + ep) !=========================================================== ! g025 : S + OCS -> S2 + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_ocs) + ep) !=========================================================== ! g026 : OCS + O -> SO + CO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_ocs)/(c(iz,i_ocs) + c(iz,i_o) + ep) !=========================================================== ! g027 : S + SO3 -> SO2 + SO !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_so3) + ep) !=========================================================== ! g028 : S + HO2 -> SO + OH !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_ho2) + ep) !=========================================================== ! g029 : S + ClO -> SO + Cl !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s)/(c(iz,i_s) + c(iz,i_clo) + ep) !=========================================================== ! g031 : SO3 + OCS -> S2O2 + CO2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_so3)/(c(iz,i_so3) + c(iz,i_ocs) + ep) !=========================================================== ! g032 : 0.5 s2o2 + 0.5 ocs -> co ! 0.5 s2o2 + 0.5 ocs -> so2 + s2 !=========================================================== nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s2o2)/(c(iz,i_s2o2) + c(iz,i_ocs) + ep) nb_reaction_4 = nb_reaction_4 + 1 eps_4(nb_reaction_4) = c(iz,i_s2o2)/(c(iz,i_s2o2) + c(iz,i_ocs) + ep) !=========================================================== do i4 = 1,nb_reaction_4 eps_4(i4) = max(eps_4(i4), 0.E+0) eps_4(i4) = min(eps_4(i4), 1.E+0) end do return end subroutine fill_eps !====================================================================== subroutine fill_matrix(ind,dtx, nz, nesp, v_phot, v_3, v_4, eps_4, c, & nb_phot_max, nb_reaction_3_max, nb_reaction_4_max, & indice_phot, indice_3, indice_4, mat) !====================================================================== ! filling of the jacobian matrix implicit none integer, INTENT(IN) :: nesp, nz integer, INTENT(IN) :: ind integer :: iesp,i_phot,i_3,i_4 integer :: i_phot_2,i_phot_4,i_phot_6 integer :: i_3_2,i_3_4,i_3_6 integer :: i_4_2,i_4_4,i_4_6,i_4_8 integer :: iphot,i3,i4 real :: Xphot_11,Xphot_21,Xphot_31 real :: X3_11,X3_21,X3_31 real :: X4_11,X4_12,X4_21,X4_22,X4_31,X4_32,X4_41,X4_42 real, INTENT(IN) :: dtx real, INTENT(IN), dimension(nz,nesp) :: c ! matrix real, dimension(nesp,nesp), INTENT(OUT) :: mat !real :: d !integer :: code !integer, dimension(nesp) :: indx ! reaction rates and indices integer :: nb_phot_max, nb_reaction_3_max, nb_reaction_4_max real, dimension(6*nb_phot_max), INTENT(IN) :: indice_phot real, dimension(6*nb_reaction_3_max), INTENT(IN) :: indice_3 real, dimension(8*nb_reaction_4_max), INTENT(IN) :: indice_4 real, dimension(nz, nb_phot_max), INTENT(IN) :: v_phot real, dimension(nz, nb_reaction_3_max), INTENT(IN) :: v_3 real, dimension(nz, nb_reaction_4_max), INTENT(IN) :: v_4 real, dimension(nb_reaction_4_max), INTENT(IN) :: eps_4 ! initialisation mat(:,:) = 0. do iesp = 1,nesp mat(iesp,iesp) = 1. end do ! photodissociations ! or reactions a + c -> b + c ! or reactions a + ice -> b + c do iphot = 1,nb_phot_max i_phot = 6*(iphot-1) i_phot_2 = int(indice_phot(i_phot+2)) i_phot_4 = int(indice_phot(i_phot+4)) i_phot_6 = int(indice_phot(i_phot+6)) Xphot_11 = indice_phot(i_phot+1)*v_phot(ind,iphot)*dtx Xphot_21 =-indice_phot(i_phot+3)*v_phot(ind,iphot)*dtx Xphot_31 =-indice_phot(i_phot+5)*v_phot(ind,iphot)*dtx mat(i_phot_2,i_phot_2) = mat(i_phot_2,i_phot_2) + Xphot_11 mat(i_phot_4,i_phot_2) = mat(i_phot_4,i_phot_2) + Xphot_21 mat(i_phot_6,i_phot_2) = mat(i_phot_6,i_phot_2) + Xphot_31 end do ! reactions a + a -> b + c do i3 = 1,nb_reaction_3_max i_3 = 6*(i3-1) i_3_2 = int(indice_3(i_3+2)) i_3_4 = int(indice_3(i_3+4)) i_3_6 = int(indice_3(i_3+6)) X3_11 = indice_3(i_3+1)*v_3(ind,i3)*c(ind,i_3_2)*dtx X3_21 =-indice_3(i_3+3)*v_3(ind,i3)*c(ind,i_3_2)*dtx X3_31 =-indice_3(i_3+5)*v_3(ind,i3)*c(ind,i_3_2)*dtx mat(i_3_2,i_3_2) = mat(i_3_2,i_3_2) + X3_11 mat(i_3_4,i_3_2) = mat(i_3_4,i_3_2) + X3_21 mat(i_3_6,i_3_2) = mat(i_3_6,i_3_2) + X3_31 end do ! reactions a + b -> c + d do i4 = 1,nb_reaction_4_max i_4 = 8*(i4-1) i_4_2 = int(indice_4(i_4+2)) i_4_4 = int(indice_4(i_4+4)) i_4_6 = int(indice_4(i_4+6)) i_4_8 = int(indice_4(i_4+8)) X4_11 = indice_4(i_4+1)*v_4(ind,i4)*dtx*(1-eps_4(i4))*c(ind,i_4_4) X4_12 = indice_4(i_4+1)*v_4(ind,i4)*dtx*eps_4(i4)*c(ind,i_4_2) X4_21 = indice_4(i_4+3)*v_4(ind,i4)*dtx*(1-eps_4(i4))*c(ind,i_4_4) X4_22 = indice_4(i_4+3)*v_4(ind,i4)*dtx*eps_4(i4)*c(ind,i_4_2) X4_31 =-indice_4(i_4+5)*v_4(ind,i4)*dtx*(1-eps_4(i4))*c(ind,i_4_4) X4_32 =-indice_4(i_4+5)*v_4(ind,i4)*dtx*eps_4(i4)*c(ind,i_4_2) X4_41 =-indice_4(i_4+7)*v_4(ind,i4)*dtx*(1-eps_4(i4))*c(ind,i_4_4) X4_42 =-indice_4(i_4+7)*v_4(ind,i4)*dtx*eps_4(i4)*c(ind,i_4_2) mat(i_4_2,i_4_2) = mat(i_4_2,i_4_2) + X4_11 mat(i_4_2,i_4_4) = mat(i_4_2,i_4_4) + X4_12 mat(i_4_4,i_4_2) = mat(i_4_4,i_4_2) + X4_21 mat(i_4_4,i_4_4) = mat(i_4_4,i_4_4) + X4_22 mat(i_4_6,i_4_2) = mat(i_4_6,i_4_2) + X4_31 mat(i_4_6,i_4_4) = mat(i_4_6,i_4_4) + X4_32 mat(i_4_8,i_4_2) = mat(i_4_8,i_4_2) + X4_41 mat(i_4_8,i_4_4) = mat(i_4_8,i_4_4) + X4_42 end do end subroutine fill_matrix 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 = 31 integer, parameter :: nb_reaction_3_max = 11 integer, parameter :: nb_reaction_4_max = 84 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 !=============================== !--- 28 h004 ICE !=============================== i_react=i_react+1 i_v=i_v+1 !=============================== !--- 29 h005 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 + 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 !=============================== ! 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