Index: trunk/LMDZ.MARS/libf/aeronomars/calchim_mod.F90 =================================================================== --- trunk/LMDZ.MARS/libf/aeronomars/calchim_mod.F90 (revision 2282) +++ trunk/LMDZ.MARS/libf/aeronomars/calchim_mod.F90 (revision 2284) @@ -22,5 +22,5 @@ igcm_coplus, igcm_cplus, igcm_nplus, & igcm_noplus, igcm_n2plus, igcm_hplus, & - igcm_hco2plus, igcm_elec, mmol + igcm_hco2plus, igcm_hcoplus, igcm_elec, mmol use conc_mod, only: mmean ! mean molecular mass of the atmosphere @@ -141,4 +141,5 @@ integer,save :: i_hplus=0 integer,save :: i_hco2plus=0 + integer,save :: i_hcoplus=0 integer,save :: i_elec=0 @@ -542,4 +543,20 @@ if (i_hco2plus /= 0) then write(*,*) "calchim: Error: HCO2+ is present, but O2+ is not!!!" + write(*,*) "Both must be in traceur.def if ion chemistry wanted" + endif + endif + i_hcoplus=igcm_hcoplus + if(ionchem) then + if (i_hcoplus == 0) then + write(*,*) "calchim: Error, no HCO+ tracer !!!" + write(*,*) "HCO+ is needed if O2+ is in traceur.def" + stop + else + nbq = nbq + 1 + niq(nbq) = i_hcoplus + end if + else + if (i_hcoplus /= 0) then + write(*,*) "calchim: Error: HCO+ is present, but O2+ is not!!!" write(*,*) "Both must be in traceur.def if ion chemistry wanted" endif @@ -630,5 +647,5 @@ ! set number of reactions, depending on ion chemistry or not if (ionchem) then - nb_reaction_4_max = 61 ! set number of bimolecular reactions + nb_reaction_4_max = 67 ! set number of bimolecular reactions nb_reaction_3_max = 6 ! set number of quadratic reactions nquench = 9 ! set number of quenching + heterogeneous reactions Index: trunk/LMDZ.MARS/libf/aeronomars/inichim_newstart.F90 =================================================================== --- trunk/LMDZ.MARS/libf/aeronomars/inichim_newstart.F90 (revision 2282) +++ trunk/LMDZ.MARS/libf/aeronomars/inichim_newstart.F90 (revision 2284) @@ -117,4 +117,5 @@ igcm_hplus=0 igcm_hco2plus=0 + igcm_hcoplus=0 igcm_elec=0 @@ -330,4 +331,9 @@ igcm_hco2plus = iq mmol(igcm_hco2plus) = 45. + count = count + 1 + end if + if (noms(iq) == "hcoplus") then + igcm_hcoplus = iq + mmol(igcm_hcoplus) = 29. count = count + 1 end if @@ -593,9 +599,9 @@ .or. igcm_cplus == 0 .or. igcm_nplus == 0 .or. igcm_noplus == 0 & .or. igcm_n2plus == 0 .or. igcm_hplus == 0 .or. igcm_hco2plus == 0 & - .or. igcm_elec == 0) then + .or. igcm_hcoplus == 0 .or. igcm_elec == 0) then write(*,*)'inichim_newstart error:' write(*,*)'if co2plus is in traceur.def, all other ions must also be' write(*,*)'o2plus, oplus, coplus, cplus, nplus, noplus, n2plus' - write(*,*)'hplus, hco2plus and elec' + write(*,*)'hplus, hco2plus, hcoplus, and elec' write(*,*)'stop' stop @@ -616,4 +622,5 @@ pq(i,j,l,igcm_hplus) = 0. pq(i,j,l,igcm_hco2plus) = 0. + pq(i,j,l,igcm_hcoplus) = 0. pq(i,j,l,igcm_elec) = 0. end do @@ -633,4 +640,5 @@ qsurf(1:ngrid,igcm_hplus) = 0. qsurf(1:ngrid,igcm_hco2plus) = 0. + qsurf(1:ngrid,igcm_hcoplus) = 0. qsurf(1:ngrid,igcm_elec) = 0. @@ -640,5 +648,5 @@ .or. igcm_cplus /= 0 .or. igcm_nplus /= 0 .or. igcm_noplus /= 0 & .or. igcm_n2plus /= 0 .or. igcm_hplus /= 0 .or. igcm_hco2plus /= 0 & - .or. igcm_elec /= 0) then + .or. igcm_hcoplus /= 0 .or. igcm_elec /= 0) then write(*,*)'inichim_newstart error:' write(*,*)'some ions are in traceur.def, but not co2plus' Index: trunk/LMDZ.MARS/libf/aeronomars/photochemistry.F90 =================================================================== --- trunk/LMDZ.MARS/libf/aeronomars/photochemistry.F90 (revision 2282) +++ trunk/LMDZ.MARS/libf/aeronomars/photochemistry.F90 (revision 2284) @@ -112,5 +112,6 @@ integer,parameter :: i_hplus = 26 integer,parameter :: i_hco2plus= 27 -integer,parameter :: i_elec = 28 +integer,parameter :: i_hcoplus = 28 +integer,parameter :: i_elec = 29 integer :: ilay @@ -154,5 +155,6 @@ i_n, i_n2d, i_no, i_no2, i_n2, i_co2plus, & i_oplus, i_o2plus, i_noplus, i_coplus, i_cplus, & - i_n2plus, i_nplus, i_hplus, i_hco2plus, i_elec) + i_n2plus, i_nplus, i_hplus, i_hco2plus, i_hcoplus, & + i_elec) firstcall = .false. end if @@ -168,5 +170,5 @@ i_oplus, i_o2plus, i_noplus, i_coplus, i_cplus, & i_n2plus, i_nplus, i_hplus, i_hco2plus, & - i_elec, dens, rm, c) + i_hcoplus, i_elec, dens, rm, c) !=================================================================== @@ -363,9 +365,10 @@ if(c(ilev,i_elec).ne.c(ilev,i_co2plus)+c(ilev,i_oplus)+c(ilev,i_o2plus)+& c(ilev,i_noplus)+c(ilev,i_coplus)+c(ilev,i_cplus)+c(ilev,i_n2plus)+& - c(ilev,i_nplus)+c(ilev,i_hplus)+c(ilev,i_hco2plus)) then + c(ilev,i_nplus)+c(ilev,i_hplus)+c(ilev,i_hco2plus)+ & + c(ilev,i_hcoplus)) then c(ilev,i_elec) = c(ilev,i_co2plus)+c(ilev,i_oplus)+c(ilev,i_o2plus)+ & c(ilev,i_noplus)+c(ilev,i_coplus)+c(ilev,i_cplus)+ & c(ilev,i_n2plus)+c(ilev,i_nplus)+c(ilev,i_hplus)+ & - c(ilev,i_hco2plus) + c(ilev,i_hco2plus)+c(ilev,i_hcoplus) ! write(*,*)'photochemistry/359' ! write(*,*)'Forcing charge neutrality at ilev,',ilev,' ig=',ig @@ -393,5 +396,5 @@ i_oplus, i_o2plus, i_noplus, i_coplus, i_cplus, & i_n2plus, i_nplus, i_hplus, i_hco2plus, & - i_elec, dens, c) + i_hcoplus, i_elec, dens, c) contains @@ -592,5 +595,6 @@ i013, i014, i015, i016, i017, i018, i019, & i020, i021, i022, i023, i024, i025, i026, & - i027, i028, i029, i030, & + i027, i028, i029, i030, i031, i032, i033, & + i034, i035, i036, & h001, h002, h003, h004, h005 @@ -1360,4 +1364,53 @@ nb_reaction_4 = nb_reaction_4 + 1 v_4(:,nb_reaction_4) = i030(:) + +!--- i031: HCO2+ + O -> HCO+ + O2 + +! UMIST + + i031(:) = 1.e-9 + nb_reaction_4 = nb_reaction_4 + 1 + v_4(:,nb_reaction_4) = i031(:) + +!--- i032: HCO2+ + CO -> HCO+ + CO2 + +! UMIST, from Prassad & Huntress 1980 + + i032(:) = 7.8e-10 + nb_reaction_4 = nb_reaction_4 + 1 + v_4(:,nb_reaction_4) = i032(:) + +!--- i033: H+ + CO2 -> HCO+ + O + +! UMIST, from Smith et al., Int. J. Mass Spectrom. Ion Proc., 117, 457-473(1992) + + i033(:) = 3.5e-9 + nb_reaction_4 = nb_reaction_4 + 1 + v_4(:,nb_reaction_4) = i033(:) + + +!--- i034: CO2+ + H -> HCO+ + O + +! Seen in Fox 2015, from Borodi et al., Int. J. Mass Spectrom. 280, 218-225, 2009 + + i034(:) = 4.5e-10 + nb_reaction_4 = nb_reaction_4 + 1 + v_4(:,nb_reaction_4) = i034(:) + +!--- i035: CO+ + H2 -> HCO+ + H + + !UMIST, from Scott et al., J. Chem. Phys., 106, 3982-3987(1997) + + i035(:) = 7.5e-10 + nb_reaction_4 = nb_reaction_4 + 1 + v_4(:,nb_reaction_4) = i035(:) + +!--- i036: HCO+ + e- -> CO + H + + !UMIST, from Mitchell, Phys. Rep., 186, 215 (1990) + + i036(:) = 2.4e-7 *((300./t_elect(:))**0.69) + nb_reaction_4 = nb_reaction_4 + 1 + v_4(:,nb_reaction_4) = i036(:) end if !ionchem @@ -1572,5 +1625,6 @@ i_n, i_n2d, i_no, i_no2, i_n2, i_co2plus, & i_oplus, i_o2plus, i_noplus, i_coplus, i_cplus, & - i_n2plus, i_nplus, i_hplus, i_hco2plus, i_elec) + i_n2plus, i_nplus, i_hplus, i_hco2plus, i_hcoplus, & + i_elec) !================================================================ @@ -1596,5 +1650,6 @@ i_n, i_n2d, i_no, i_no2, i_n2, & i_co2plus, i_oplus, i_o2plus, i_noplus, i_coplus, & - i_cplus, i_n2plus, i_nplus, i_hplus, i_hco2plus, i_elec + i_cplus, i_n2plus, i_nplus, i_hplus, i_hco2plus, & + i_hcoplus, i_elec integer, intent(in) :: nb_reaction_3_max ! number of quadratic reactions @@ -2441,4 +2496,54 @@ indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_elec, 1.0, i_h, 1.0, i_co2) + +!=========================================================== +! i031 : HCO2+ + O -> HCO+ + O2 +!=========================================================== + + nb_reaction_4 = nb_reaction_4 + 1 + + indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_o, 1.0, i_hcoplus, 1.0, i_o2) + + +!=========================================================== +! i032 : HCO2+ + CO -> HCO+ + CO2 +!=========================================================== + + nb_reaction_4 = nb_reaction_4 + 1 + indice_4(nb_reaction_4) = z4spec(1.0, i_hco2plus, 1.0, i_co, 1.0, i_hcoplus, 1.0, i_co2) + + +!=========================================================== +! i033 : H+ + CO2 -> HCO+ + O +!=========================================================== + + nb_reaction_4 = nb_reaction_4 + 1 + indice_4(nb_reaction_4) = z4spec(1.0, i_hplus, 1.0, i_co2, 1.0, i_hcoplus, 1.0, i_o) + + +!=========================================================== +! i034 : CO2+ + H -> HCO+ + O +!=========================================================== + + nb_reaction_4 = nb_reaction_4 + 1 + indice_4(nb_reaction_4) = z4spec(1.0, i_co2plus, 1.0, i_h, 1.0, i_hcoplus, 1.0, i_o) + + +!=========================================================== +! i035 : CO+ + H2 -> HCO+ + H +!=========================================================== + + nb_reaction_4 = nb_reaction_4 + 1 + indice_4(nb_reaction_4) = z4spec(1.0, i_coplus, 1.0, i_h2, 1.0, i_hcoplus, 1.0, i_h) + + +!=========================================================== +! i036 : HCO+ + e- -> CO + H +!=========================================================== + + nb_reaction_4 = nb_reaction_4 + 1 + indice_4(nb_reaction_4) = z4spec(1.0, i_hcoplus, 1.0, i_elec, 1.0, i_co, 1.0, i_h) + + end if !ionchem @@ -2518,5 +2623,6 @@ i_co2plus, i_oplus, i_o2plus, i_noplus, & i_coplus, i_cplus, i_n2plus, i_nplus, & - i_hplus, i_hco2plus, i_elec, dens, rm, c) + i_hplus, i_hco2plus, i_hcoplus, i_elec, & + dens, rm, c) !***************************************************************** @@ -2529,5 +2635,5 @@ & igcm_noplus, igcm_coplus, igcm_cplus, & & igcm_n2plus, igcm_nplus, igcm_hplus, & - & igcm_hco2plus, igcm_elec + & igcm_hco2plus, igcm_hcoplus, igcm_elec implicit none @@ -2549,5 +2655,6 @@ i_n, i_n2d, i_no, i_no2, i_n2, & i_co2plus, i_oplus, i_o2plus, i_noplus, i_coplus, & - i_cplus, i_n2plus, i_nplus, i_hplus, i_hco2plus, i_elec + i_cplus, i_n2plus, i_nplus, i_hplus, i_hco2plus, & + i_hcoplus, i_elec real :: zycol(nlayer,nq) ! volume mixing ratios in the gcm @@ -2683,4 +2790,8 @@ stop endif + if (igcm_hcoplus == 0) then + write(*,*) "gcmtochim: Error; no HCO+ tracer !!!" + stop + endif if (igcm_elec == 0) then write(*,*) "gcmtochim: Error; no e- tracer !!!" @@ -2727,4 +2838,5 @@ rm(l,i_hplus) = zycol(l, igcm_hplus) rm(l,i_hco2plus) = zycol(l, igcm_hco2plus) + rm(l,i_hcoplus) = zycol(l, igcm_hcoplus) rm(l,i_elec) = zycol(l, igcm_elec) end do @@ -2755,5 +2867,6 @@ i_co2plus, i_oplus, i_o2plus, i_noplus, & i_coplus, i_cplus, i_n2plus, i_nplus, & - i_hplus, i_hco2plus, i_elec, dens, c) + i_hplus, i_hco2plus, i_hcoplus, i_elec, & + dens, c) !***************************************************************** @@ -2766,5 +2879,5 @@ igcm_noplus, igcm_coplus, igcm_cplus, & igcm_n2plus, igcm_nplus, igcm_hplus, & - igcm_hco2plus, igcm_elec + igcm_hco2plus, igcm_hcoplus, igcm_elec implicit none @@ -2786,5 +2899,5 @@ i_co2plus, i_oplus, i_o2plus, i_noplus, & i_coplus, i_cplus, i_n2plus, i_nplus, & - i_hplus, i_hco2plus, i_elec + i_hplus, i_hco2plus, i_hcoplus, i_elec real :: dens(nlayer) ! total number density (molecule.cm-3) @@ -2839,4 +2952,5 @@ zycol(l, igcm_hplus) = c(l,i_hplus)/dens(l) zycol(l, igcm_hco2plus)= c(l,i_hco2plus)/dens(l) + zycol(l, igcm_hcoplus) = c(l,i_hcoplus)/dens(l) zycol(l, igcm_elec) = c(l,i_elec)/dens(l) end do Index: trunk/LMDZ.MARS/libf/phymars/initracer.F =================================================================== --- trunk/LMDZ.MARS/libf/phymars/initracer.F (revision 2282) +++ trunk/LMDZ.MARS/libf/phymars/initracer.F (revision 2284) @@ -104,4 +104,5 @@ igcm_hplus=0 igcm_hco2plus=0 + igcm_hcoplus=0 igcm_elec=0 @@ -321,4 +322,9 @@ igcm_hco2plus=iq mmol(igcm_hco2plus)=45. + count=count+1 + endif + if (noms(iq).eq."hcoplus") then + igcm_hcoplus=iq + mmol(igcm_hcoplus)=29. count=count+1 endif Index: trunk/LMDZ.MARS/libf/phymars/tracer_mod.F90 =================================================================== --- trunk/LMDZ.MARS/libf/phymars/tracer_mod.F90 (revision 2282) +++ trunk/LMDZ.MARS/libf/phymars/tracer_mod.F90 (revision 2284) @@ -86,4 +86,5 @@ integer,save :: igcm_hplus integer,save :: igcm_hco2plus + integer,save :: igcm_hcoplus integer,save :: igcm_elec ! other tracers