[334] | 1 | c***************************************************************** |
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| 2 | c |
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| 3 | c Photochemical routine |
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| 4 | c |
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| 5 | c Author: Franck Lefevre |
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| 6 | c ------ |
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| 7 | c |
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[1125] | 8 | c Version: 11/12/2013 |
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[334] | 9 | c |
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| 10 | c***************************************************************** |
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[1125] | 11 | |
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| 12 | subroutine photochemistry(nlayer, nq, |
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| 13 | $ lswitch, zycol, sza, ptimestep, |
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[690] | 14 | $ press,temp, dens, dist_sol, surfdust1d, |
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| 15 | $ surfice1d, jo3, tau) |
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[1125] | 16 | |
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[334] | 17 | implicit none |
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[1125] | 18 | |
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[334] | 19 | #include "chimiedata.h" |
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| 20 | #include "callkeys.h" |
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[1125] | 21 | |
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[334] | 22 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 23 | c inputs: |
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[334] | 24 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 25 | |
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| 26 | integer, intent(in) :: nlayer ! number of atmospheric layers |
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| 27 | integer, intent(in) :: nq ! number of tracers |
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| 28 | |
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| 29 | real :: sza ! solar zenith angle (deg) |
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| 30 | real :: ptimestep ! physics timestep (s) |
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| 31 | real :: press(nlayer) ! pressure (hpa) |
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| 32 | real :: temp(nlayer) ! temperature (k) |
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| 33 | real :: dens(nlayer) ! density (cm-3) |
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| 34 | real :: dist_sol ! sun distance (au) |
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| 35 | real :: surfdust1d(nlayer) ! dust surface area (cm2/cm3) |
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| 36 | real :: surfice1d(nlayer) ! ice surface area (cm2/cm3) |
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| 37 | real :: tau ! optical depth at 7 hpa |
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| 38 | |
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[334] | 39 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 40 | c input/output: |
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[334] | 41 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 42 | |
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| 43 | real :: zycol(nlayer,nq) ! chemical species volume mixing ratio |
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| 44 | |
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[334] | 45 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 46 | c output: |
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| 47 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 48 | |
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| 49 | real :: jo3(nlayer) ! photodissociation rate o3 -> o1d |
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| 50 | |
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[334] | 51 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 52 | c local: |
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| 53 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 54 | |
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| 55 | integer, parameter :: nesp = 16 ! number of species in the chemistry |
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| 56 | |
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| 57 | integer :: phychemrat ! ratio physics timestep/chemistry timestep |
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| 58 | integer :: istep |
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| 59 | integer :: i_co2,i_o3,j_o3_o1d,lev |
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| 60 | integer :: lswitch |
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| 61 | |
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| 62 | real :: stimestep ! standard timestep for the chemistry (s) |
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| 63 | real :: ctimestep ! real timestep for the chemistry (s) |
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| 64 | real :: rm(nlayer,nesp) ! species volume mixing ratio |
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| 65 | real :: j(nlayer,nd) ! interpolated photolysis rates (s-1) |
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| 66 | real :: rmco2(nlayer) ! co2 mixing ratio |
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| 67 | real :: rmo3(nlayer) ! ozone mixing ratio |
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| 68 | |
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[334] | 69 | c reaction rates |
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[1125] | 70 | |
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| 71 | real :: a001(nlayer), a002(nlayer), a003(nlayer) |
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| 72 | real :: b001(nlayer), b002(nlayer), b003(nlayer), |
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| 73 | $ b004(nlayer), b005(nlayer), b006(nlayer), |
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| 74 | $ b007(nlayer), b008(nlayer), b009(nlayer) |
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| 75 | real :: c001(nlayer), c002(nlayer), c003(nlayer), |
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| 76 | $ c004(nlayer), c005(nlayer), c006(nlayer), |
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| 77 | $ c007(nlayer), c008(nlayer), c009(nlayer), |
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| 78 | $ c010(nlayer), c011(nlayer), c012(nlayer), |
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| 79 | $ c013(nlayer), c014(nlayer), c015(nlayer), |
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| 80 | $ c016(nlayer), c017(nlayer), c018(nlayer) |
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| 81 | real :: d001(nlayer), d002(nlayer), d003(nlayer) |
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| 82 | real :: e001(nlayer), e002(nlayer), e003(nlayer) |
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| 83 | real :: h001(nlayer), h002(nlayer), h003(nlayer), |
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| 84 | $ h004(nlayer), h005(nlayer) |
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| 85 | real :: t001(nlayer), t002(nlayer), t003(nlayer) |
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| 86 | |
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[334] | 87 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[618] | 88 | c stimestep : standard timestep for the chemistry (s) c |
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| 89 | c ctimestep : real timestep for the chemistry (s) c |
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| 90 | c phychemrat : ratio physical/chemical timestep c |
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[334] | 91 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 92 | |
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[618] | 93 | stimestep = 600. ! standard value : 10 mn |
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[1125] | 94 | |
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[618] | 95 | phychemrat = nint(ptimestep/stimestep) |
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[1125] | 96 | |
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[408] | 97 | ctimestep = ptimestep/real(phychemrat) |
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[1125] | 98 | |
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[334] | 99 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 100 | c initialisation of chemical species and families c |
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| 101 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 102 | |
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| 103 | call gcmtochim(nlayer, nq, zycol, lswitch, nesp, rm) |
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| 104 | |
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[334] | 105 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 106 | c compute reaction rates c |
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| 107 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 108 | |
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| 109 | call chemrates(nlayer, |
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| 110 | $ lswitch, dens, press, temp, |
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[334] | 111 | $ surfdust1d, surfice1d, |
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| 112 | $ a001, a002, a003, |
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| 113 | $ b001, b002, b003, b004, b005, b006, |
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| 114 | $ b007, b008, b009, |
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| 115 | $ c001, c002, c003, c004, c005, c006, |
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| 116 | $ c007, c008, c009, c010, c011, c012, |
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| 117 | $ c013, c014, c015, c016, c017, c018, |
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| 118 | $ d001, d002, d003, |
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| 119 | $ e001, e002, e003, |
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| 120 | $ h001, h002, h003, h004, h005, |
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| 121 | $ t001, t002, t003, tau) |
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[1125] | 122 | |
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[334] | 123 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 124 | c interpolation of photolysis rates in the lookup table c |
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| 125 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 126 | |
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[334] | 127 | i_co2 = 1 |
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| 128 | i_o3 = 6 |
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[1125] | 129 | |
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[334] | 130 | do lev = 1,lswitch-1 |
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| 131 | rmco2(lev) = rm(lev,i_co2) |
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| 132 | rmo3(lev) = rm(lev, i_o3) |
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| 133 | end do |
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[1125] | 134 | |
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[1430] | 135 | call photolysis(nlayer, lswitch, press, temp, sza, tau, dist_sol, |
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| 136 | $ rmco2, rmo3, j) |
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[1125] | 137 | |
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[334] | 138 | j_o3_o1d = 5 |
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[1125] | 139 | |
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[334] | 140 | do lev = 1,lswitch-1 |
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| 141 | jo3(lev) = j(lev,j_o3_o1d) |
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| 142 | end do |
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[1125] | 143 | |
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[334] | 144 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 145 | c loop over time within the physical timestep c |
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| 146 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 147 | |
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[334] | 148 | do istep = 1,phychemrat |
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[1125] | 149 | call chimie(nlayer, lswitch, nesp, rm, j, dens, ctimestep, |
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[334] | 150 | $ press, temp, sza, dist_sol, |
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| 151 | $ a001, a002, a003, |
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| 152 | $ b001, b002, b003, b004, b005, b006, |
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| 153 | $ b007, b008, b009, |
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| 154 | $ c001, c002, c003, c004, c005, c006, |
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| 155 | $ c007, c008, c009, c010, c011, c012, |
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| 156 | $ c013, c014, c015, c016, c017, c018, |
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| 157 | $ d001, d002, d003, |
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| 158 | $ e001, e002, e003, |
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| 159 | $ h001, h002, h003, h004, h005, |
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| 160 | $ t001, t002, t003) |
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| 161 | end do |
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[1125] | 162 | |
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[334] | 163 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 164 | c save chemical species for the gcm c |
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| 165 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 166 | |
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| 167 | call chimtogcm(nlayer, nq, zycol, lswitch, nesp, rm) |
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| 168 | |
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[334] | 169 | return |
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| 170 | end |
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[1125] | 171 | |
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[334] | 172 | c***************************************************************** |
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[1125] | 173 | |
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| 174 | subroutine chimie(nlayer, |
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| 175 | $ lswitch, nesp, rm, j, dens, dt, |
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[334] | 176 | $ press, t, sza, dist_sol, |
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| 177 | $ a001, a002, a003, |
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| 178 | $ b001, b002, b003, b004, b005, b006, |
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| 179 | $ b007, b008, b009, |
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| 180 | $ c001, c002, c003, c004, c005, c006, |
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| 181 | $ c007, c008, c009, c010, c011, c012, |
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| 182 | $ c013, c014, c015, c016, c017, c018, |
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| 183 | $ d001, d002, d003, |
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| 184 | $ e001, e002, e003, |
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| 185 | $ h001, h002, h003, h004, h005, |
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| 186 | $ t001, t002, t003) |
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[1125] | 187 | |
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[334] | 188 | c***************************************************************** |
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[1125] | 189 | |
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[334] | 190 | implicit none |
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[1125] | 191 | |
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[334] | 192 | #include "chimiedata.h" |
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| 193 | #include "callkeys.h" |
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[1125] | 194 | |
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[334] | 195 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 196 | c inputs: |
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| 197 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 198 | |
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| 199 | integer, intent(in) :: nlayer ! number of atmospheric layers |
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| 200 | integer :: lswitch ! interface level between chemistries |
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| 201 | integer :: nesp ! number of species |
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| 202 | |
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| 203 | real :: dens(nlayer) ! density (cm-3) |
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| 204 | real :: dt ! chemistry timestep (s) |
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| 205 | real :: j(nlayer,nd) ! interpolated photolysis rates (s-1) |
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| 206 | real :: press(nlayer) ! pressure (hpa) |
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| 207 | real :: t(nlayer) ! temperature (k) |
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| 208 | real :: sza ! solar zenith angle (deg) |
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| 209 | real :: dist_sol ! sun distance (au) |
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| 210 | |
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[334] | 211 | c reaction rates |
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[1125] | 212 | |
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| 213 | real :: a001(nlayer), a002(nlayer), a003(nlayer) |
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| 214 | real :: b001(nlayer), b002(nlayer), b003(nlayer), |
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| 215 | $ b004(nlayer), b005(nlayer), b006(nlayer), |
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| 216 | $ b007(nlayer), b008(nlayer), b009(nlayer) |
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| 217 | real :: c001(nlayer), c002(nlayer), c003(nlayer), |
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| 218 | $ c004(nlayer), c005(nlayer), c006(nlayer), |
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| 219 | $ c007(nlayer), c008(nlayer), c009(nlayer), |
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| 220 | $ c010(nlayer), c011(nlayer), c012(nlayer), |
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| 221 | $ c013(nlayer), c014(nlayer), c015(nlayer), |
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| 222 | $ c016(nlayer), c017(nlayer), c018(nlayer) |
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| 223 | real :: d001(nlayer), d002(nlayer), d003(nlayer) |
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| 224 | real :: e001(nlayer), e002(nlayer), e003(nlayer) |
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| 225 | real :: h001(nlayer), h002(nlayer), h003(nlayer), |
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| 226 | $ h004(nlayer), h005(nlayer) |
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| 227 | real :: t001(nlayer), t002(nlayer), t003(nlayer) |
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| 228 | |
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[334] | 229 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 230 | c input/output: |
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| 231 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 232 | |
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| 233 | real :: rm(nlayer,nesp) ! volume mixing ratios |
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| 234 | |
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| 235 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[334] | 236 | c local: |
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| 237 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 238 | |
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| 239 | real, parameter :: hetero_ice = 1. ! switch for het. chem. on ice clouds |
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| 240 | real, parameter :: hetero_dust = 0. ! switch for het. chem. on dust |
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| 241 | |
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| 242 | integer :: iesp, iter, l |
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| 243 | integer :: i_co2, i_co, i_o2, i_h2, i_h2o, i_h2o2, i_hox, i_ox, |
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| 244 | $ i_o1d, i_o, i_o3, i_h, i_oh, i_ho2, i_ch4, i_n2 |
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| 245 | integer :: j_o2_o, j_o2_o1d, j_co2_o, j_co2_o1d, |
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| 246 | $ j_o3_o1d, j_o3_o, j_h2o, j_hdo, j_h2o2, |
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[1430] | 247 | $ j_ho2, j_no, j_no2, j_ch4_ch3_h, j_ch4_1ch2_h2, |
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[1125] | 248 | $ j_ch4_3ch2_h_h, j_ch4_ch_h2_h, j_ch3o2h, |
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| 249 | $ j_ch2o_co, j_ch2o_hco, j_ch3oh, j_c2h6, j_hcl, |
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| 250 | $ j_hocl, j_clo, j_so2, j_so, j_h2s, j_so3, |
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| 251 | $ j_hno3, j_hno4 |
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| 252 | |
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| 253 | integer, parameter :: niter = 5 ! iterations in the chemical scheme |
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| 254 | |
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| 255 | real :: cc0(nlayer,nesp) ! initial number density (cm-3) |
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| 256 | real :: cc(nlayer,nesp) ! final number density (cm-3) |
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| 257 | real :: nox(nlayer) ! nox number density (cm-3) |
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| 258 | real :: no(nlayer) ! no number density (cm-3) |
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| 259 | real :: no2(nlayer) ! no2 number density (cm-3) |
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| 260 | real :: production(nlayer,nesp) ! production rate |
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| 261 | real :: loss(nlayer,nesp) ! loss rate |
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| 262 | |
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| 263 | real :: ro_o3, rh_ho2, roh_ho2, rno2_no |
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| 264 | |
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[334] | 265 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 266 | c tracer numbering in the chemistry |
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| 267 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 268 | |
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[334] | 269 | i_co2 = 1 |
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| 270 | i_co = 2 |
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| 271 | i_o = 3 |
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| 272 | i_o1d = 4 |
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| 273 | i_o2 = 5 |
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| 274 | i_o3 = 6 |
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| 275 | i_h = 7 |
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| 276 | i_h2 = 8 |
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| 277 | i_oh = 9 |
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| 278 | i_ho2 = 10 |
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| 279 | i_h2o2 = 11 |
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| 280 | i_ch4 = 12 |
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| 281 | i_h2o = 13 |
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| 282 | i_n2 = 14 |
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| 283 | i_hox = 15 |
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| 284 | i_ox = 16 |
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[1125] | 285 | |
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[334] | 286 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 287 | c numbering of photolysis rates |
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| 288 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 289 | |
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[334] | 290 | j_o2_o = 1 ! o2 + hv -> o + o |
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| 291 | j_o2_o1d = 2 ! o2 + hv -> o + o(1d) |
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| 292 | j_co2_o = 3 ! co2 + hv -> co + o |
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| 293 | j_co2_o1d = 4 ! co2 + hv -> co + o(1d) |
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| 294 | j_o3_o1d = 5 ! o3 + hv -> o2 + o(1d) |
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| 295 | j_o3_o = 6 ! o3 + hv -> o2 + o |
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| 296 | j_h2o = 7 ! h2o + hv -> h + oh |
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[1430] | 297 | j_h2o2 = 8 ! h2o2 + hv -> oh + oh |
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| 298 | j_ho2 = 9 ! ho2 + hv -> oh + o |
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| 299 | j_no = 10 ! no + hv -> n + o |
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[334] | 300 | j_no2 = 11 ! no2 + hv -> no + o |
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[1430] | 301 | j_hno3 = 12 ! hno3 + hv -> oh + no2 |
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| 302 | j_hno4 = 13 ! hno4 + hv -> ho2 + no2 |
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[1125] | 303 | |
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[334] | 304 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 305 | c volume mixing ratio -> density conversion |
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| 306 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 307 | |
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[334] | 308 | do iesp = 1,nesp |
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| 309 | do l = 1,lswitch-1 |
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| 310 | cc0(l,iesp) = rm(l,iesp)*dens(l) |
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| 311 | cc(l,iesp) = cc0(l,iesp) |
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| 312 | end do |
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| 313 | end do |
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[1125] | 314 | |
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[334] | 315 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 316 | c co2 and nox number densities (cm-3) |
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| 317 | c |
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| 318 | c nox mixing ratio: 6.e-10 (yung and demore, 1999) |
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| 319 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 320 | |
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[334] | 321 | do l = 1,lswitch-1 |
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| 322 | nox(l) = 6.e-10*dens(l) |
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| 323 | end do |
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[1125] | 324 | |
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[334] | 325 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 326 | c loop over iterations in the chemical scheme |
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| 327 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 328 | |
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[334] | 329 | do iter = 1,niter |
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[1125] | 330 | |
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[334] | 331 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 332 | c nox species |
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| 333 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 334 | c no2/no |
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| 335 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 336 | |
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[334] | 337 | do l = 1,lswitch-1 |
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[1125] | 338 | |
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[334] | 339 | rno2_no = (d002(l)*cc(l,i_o3) + d003(l)*cc(l,i_ho2)) |
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| 340 | $ /(j(l,j_no2) + |
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| 341 | $ d001(l)*max(cc(l,i_o),1.e-30*dens(l))) |
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[1125] | 342 | |
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[334] | 343 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 344 | c no |
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| 345 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 346 | |
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[334] | 347 | no(l) = nox(l)/(1. + rno2_no) |
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[1125] | 348 | |
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[334] | 349 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 350 | c no2 |
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| 351 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 352 | |
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[334] | 353 | no2(l) = no(l)*rno2_no |
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[1125] | 354 | |
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[334] | 355 | end do |
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[1125] | 356 | |
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[334] | 357 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 358 | c hox species |
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| 359 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 360 | c photochemical equilibrium for oh and ho2 |
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| 361 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 362 | c h/ho2 |
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| 363 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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[1125] | 364 | |
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[334] | 365 | do l = 1,lswitch-1 |
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[1125] | 366 | |
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[334] | 367 | rh_ho2 = (c001(l)*cc(l,i_o) |
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| 368 | $ + c004(l)*cc(l,i_h) |
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| 369 | $ + c005(l)*cc(l,i_h) |
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| 370 | $ + c006(l)*cc(l,i_h) |
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| 371 | $ + c007(l)*cc(l,i_oh) |
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| 372 | $ + 2.*c008(l)*cc(l,i_ho2) |
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| 373 | $ + c015(l)*cc(l,i_o3) |
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| 374 | $ + 2.*c016(l)*cc(l,i_ho2) |
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| 375 | $ + d003(l)*no(l) ! ajout 20090401 |
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| 376 | $ + j(l,j_ho2) |
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| 377 | $ + h001(l)*hetero_ice |
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| 378 | $ + h003(l)*hetero_dust) |
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| 379 | $ /( c011(l)*cc(l,i_o2) |
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| 380 | $ + t001(l)*cc(l,i_h2o) |
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| 381 | $ /max(cc(l,i_h),dens(l)*1.e-30) ! ajout 20090401 |
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| 382 | $ ) |
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[1125] | 383 | |
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[334] | 384 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
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| 385 | c oh/ho2 |
---|
| 386 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 387 | |
---|
[334] | 388 | roh_ho2 = (c001(l)*cc(l,i_o) |
---|
| 389 | $ + c003(l)*cc(l,i_o3)*rh_ho2 |
---|
| 390 | $ + 2.*c004(l)*cc(l,i_h) |
---|
| 391 | $ + 2.*c008(l)*cc(l,i_ho2) |
---|
| 392 | $ + c015(l)*cc(l,i_o3) |
---|
| 393 | $ + d003(l)*no(l) |
---|
| 394 | $ + j(l,j_ho2) |
---|
| 395 | $ + 2.*b002(l)*cc(l,i_o1d)*cc(l,i_h2o) ! ajout 20101210 |
---|
| 396 | $ /max(cc(l,i_ho2),dens(l)*1.e-30) ! ajout 20101210 |
---|
| 397 | $ + b003(l)*cc(l,i_o1d)*cc(l,i_h2) ! ajout 20101210 |
---|
| 398 | $ /max(cc(l,i_ho2),dens(l)*1.e-30) ! ajout 20101210 |
---|
| 399 | $ + j(l,j_h2o)*cc(l,i_h2o) |
---|
| 400 | $ /max(cc(l,i_ho2),dens(l)*1.e-30) |
---|
| 401 | $ + t001(l)*cc(l,i_h2o) ! suppression 20090401 |
---|
| 402 | $ /max(cc(l,i_ho2),dens(l)*1.e-30) ! suppression 20090401 |
---|
| 403 | $ ) |
---|
| 404 | $ /(c002(l)*cc(l,i_o) |
---|
| 405 | $ + c007(l)*cc(l,i_ho2) |
---|
| 406 | $ + c009(l)*cc(l,i_h2o2) ! ajout 20090401 |
---|
| 407 | $ + 2.*c013(l)*cc(l,i_oh) ! ajout 20090401 |
---|
| 408 | $ + 2.*c017(l)*cc(l,i_oh) ! ajout 20090401 |
---|
| 409 | $ + e001(l)*cc(l,i_co) |
---|
| 410 | $ + h002(l)*hetero_ice) |
---|
[1125] | 411 | |
---|
[334] | 412 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 413 | c h |
---|
| 414 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 415 | |
---|
[334] | 416 | cc(l,i_h) = cc(l,i_hox) |
---|
| 417 | $ /(1. + (1. + roh_ho2)/rh_ho2) |
---|
[1125] | 418 | |
---|
[334] | 419 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 420 | c ho2 |
---|
| 421 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 422 | |
---|
[334] | 423 | cc(l,i_ho2) = cc(l,i_h)/rh_ho2 |
---|
[1125] | 424 | |
---|
[334] | 425 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 426 | c oh |
---|
| 427 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 428 | |
---|
[334] | 429 | cc(l,i_oh) = cc(l,i_ho2)*roh_ho2 |
---|
[1125] | 430 | |
---|
[334] | 431 | end do |
---|
[1125] | 432 | |
---|
[334] | 433 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 434 | c ox species |
---|
| 435 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 436 | c day: |
---|
| 437 | c - o1d at photochemical equilibrium |
---|
| 438 | c - o3 at photochemical equilibrium |
---|
| 439 | c - continuity equation for ox |
---|
| 440 | c night: |
---|
| 441 | c - o1d = 0 |
---|
| 442 | c - continuity equation for o3 |
---|
| 443 | c - continuity equation for o |
---|
| 444 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 445 | |
---|
[334] | 446 | if (sza .le. 95.) then |
---|
[1125] | 447 | |
---|
[334] | 448 | do l = 1,lswitch-1 |
---|
[1125] | 449 | |
---|
[334] | 450 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 451 | c o(1d) |
---|
| 452 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 453 | |
---|
[334] | 454 | cc(l,i_o1d) = (j(l,j_co2_o1d)*cc(l,i_co2) |
---|
| 455 | $ + j(l,j_o2_o1d)*cc(l,i_o2) |
---|
| 456 | $ + j(l,j_o3_o1d)*cc(l,i_o3)) |
---|
| 457 | $ /(b001(l)*cc(l,i_co2) |
---|
| 458 | $ + b002(l)*cc(l,i_h2o) |
---|
| 459 | $ + b003(l)*cc(l,i_h2) |
---|
| 460 | $ + b004(l)*cc(l,i_o2) |
---|
| 461 | $ + b005(l)*cc(l,i_o3) |
---|
| 462 | $ + b006(l)*cc(l,i_o3)) |
---|
[1125] | 463 | |
---|
[334] | 464 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 465 | c o/o3 |
---|
| 466 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 467 | |
---|
[334] | 468 | ro_o3 = (j(l,j_o3_o1d) + j(l,j_o3_o) |
---|
| 469 | $ + a003(l)*cc(l,i_o) |
---|
| 470 | $ + c003(l)*cc(l,i_h) |
---|
| 471 | $ + c014(l)*cc(l,i_oh) |
---|
| 472 | $ + c015(l)*cc(l,i_ho2) |
---|
| 473 | $ ) |
---|
| 474 | $ /(a001(l)*cc(l,i_o2)) |
---|
[1125] | 475 | |
---|
[334] | 476 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 477 | c o3 |
---|
| 478 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 479 | |
---|
[334] | 480 | cc(l,i_o3) = cc(l,i_ox)/(1. + ro_o3) |
---|
[1125] | 481 | |
---|
[334] | 482 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 483 | c o |
---|
| 484 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 485 | |
---|
[334] | 486 | cc(l,i_o) = cc(l,i_o3)*ro_o3 |
---|
[1125] | 487 | |
---|
[334] | 488 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 489 | c ox = o + o3 |
---|
| 490 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 491 | |
---|
[334] | 492 | production(l,i_ox) = |
---|
| 493 | $ + j(l,j_co2_o)*cc(l,i_co2) |
---|
| 494 | $ + j(l,j_co2_o1d)*cc(l,i_co2) |
---|
| 495 | $ + j(l,j_ho2)*cc(l,i_ho2) |
---|
| 496 | $ + 2.*j(l,j_o2_o)*cc(l,i_o2) |
---|
| 497 | $ + 2.*j(l,j_o2_o1d)*cc(l,i_o2) |
---|
| 498 | $ + c006(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 499 | $ + c013(l)*cc(l,i_oh)*cc(l,i_oh) |
---|
| 500 | $ + d003(l)*cc(l,i_ho2)*no(l) |
---|
[1125] | 501 | |
---|
[334] | 502 | loss(l,i_ox) = 2.*a002(l)*cc(l,i_o)*cc(l,i_o) |
---|
| 503 | $ + 2.*a003(l)*cc(l,i_o)*cc(l,i_o3) |
---|
| 504 | $ + c001(l)*cc(l,i_ho2)*cc(l,i_o) |
---|
| 505 | $ + c002(l)*cc(l,i_oh)*cc(l,i_o) |
---|
| 506 | $ + c003(l)*cc(l,i_h)*cc(l,i_o3) |
---|
| 507 | $ + c012(l)*cc(l,i_o)*cc(l,i_h2o2) |
---|
| 508 | $ + c014(l)*cc(l,i_o3)*cc(l,i_oh) |
---|
| 509 | $ + c015(l)*cc(l,i_o3)*cc(l,i_ho2) |
---|
| 510 | $ + d001(l)*cc(l,i_o)*no2(l) |
---|
| 511 | $ + e002(l)*cc(l,i_o)*cc(l,i_co) |
---|
[1125] | 512 | |
---|
[334] | 513 | loss(l,i_ox) = loss(l,i_ox)/cc(l,i_ox) |
---|
[1125] | 514 | |
---|
[334] | 515 | end do |
---|
[1125] | 516 | |
---|
[334] | 517 | else |
---|
[1125] | 518 | |
---|
[334] | 519 | do l = 1,lswitch-1 |
---|
[1125] | 520 | |
---|
[334] | 521 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 522 | c o(1d) |
---|
| 523 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 524 | |
---|
[334] | 525 | cc(l,i_o1d) = 0. |
---|
[1125] | 526 | |
---|
[334] | 527 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 528 | c o3 |
---|
| 529 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 530 | |
---|
[334] | 531 | production(l,i_o3) = a001(l)*cc(l,i_o2)*cc(l,i_o) |
---|
[1125] | 532 | |
---|
[334] | 533 | loss(l,i_o3) = a003(l)*cc(l,i_o) |
---|
| 534 | $ + c003(l)*cc(l,i_h) |
---|
| 535 | $ + c014(l)*cc(l,i_oh) |
---|
| 536 | $ + c015(l)*cc(l,i_ho2) |
---|
| 537 | |
---|
| 538 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 539 | c o |
---|
| 540 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 541 | |
---|
[334] | 542 | production(l,i_o) = c006(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 543 | $ + c013(l)*cc(l,i_oh)*cc(l,i_oh) |
---|
[1125] | 544 | |
---|
[334] | 545 | loss(l,i_o) = a001(l)*cc(l,i_o2) |
---|
| 546 | $ + 2.*a002(l)*cc(l,i_o) |
---|
| 547 | $ + a003(l)*cc(l,i_o3) |
---|
| 548 | $ + c001(l)*cc(l,i_ho2) |
---|
| 549 | $ + c002(l)*cc(l,i_oh) |
---|
| 550 | $ + c012(l)*cc(l,i_h2o2) |
---|
| 551 | $ + e002(l)*cc(l,i_co) |
---|
[1125] | 552 | |
---|
[334] | 553 | end do |
---|
| 554 | end if |
---|
[1125] | 555 | |
---|
[334] | 556 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 557 | c other species |
---|
| 558 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 559 | |
---|
[334] | 560 | do l = 1,lswitch-1 |
---|
[1125] | 561 | |
---|
[334] | 562 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 563 | c co2 |
---|
| 564 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 565 | |
---|
[334] | 566 | production(l,i_co2) = e001(l)*cc(l,i_oh)*cc(l,i_co) |
---|
| 567 | $ + e002(l)*cc(l,i_o)*cc(l,i_co) |
---|
| 568 | $ + t002(l)*cc(l,i_ch4)*16./44. ! ajout 20090401 |
---|
| 569 | $ + t003(l)*cc(l,i_co2)*8./44. ! ajout 20090401 |
---|
[1125] | 570 | |
---|
[334] | 571 | loss(l,i_co2) = j(l,j_co2_o) |
---|
| 572 | $ + j(l,j_co2_o1d) |
---|
| 573 | $ + t003(l) |
---|
[1125] | 574 | |
---|
[334] | 575 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 576 | c co |
---|
| 577 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 578 | |
---|
[334] | 579 | production(l,i_co) = j(l,j_co2_o)*cc(l,i_co2) |
---|
| 580 | $ + j(l,j_co2_o1d)*cc(l,i_co2) |
---|
| 581 | $ + t003(l)*cc(l,i_co2) |
---|
[1125] | 582 | |
---|
[334] | 583 | loss(l,i_co) = e001(l)*cc(l,i_oh) |
---|
| 584 | $ + e002(l)*cc(l,i_o) |
---|
[1125] | 585 | |
---|
[334] | 586 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 587 | c o2 |
---|
| 588 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 589 | |
---|
[334] | 590 | production(l,i_o2) = |
---|
| 591 | $ j(l,j_o3_o)*cc(l,i_o3) |
---|
| 592 | $ + j(l,j_o3_o1d)*cc(l,i_o3) |
---|
| 593 | $ + a002(l)*cc(l,i_o)*cc(l,i_o) |
---|
| 594 | $ + 2.*a003(l)*cc(l,i_o)*cc(l,i_o3) |
---|
| 595 | $ + 2.*b005(l)*cc(l,i_o1d)*cc(l,i_o3) |
---|
| 596 | $ + b006(l)*cc(l,i_o1d)*cc(l,i_o3) |
---|
| 597 | $ + c001(l)*cc(l,i_o)*cc(l,i_ho2) |
---|
| 598 | $ + c002(l)*cc(l,i_o)*cc(l,i_oh) |
---|
| 599 | $ + c003(l)*cc(l,i_h)*cc(l,i_o3) |
---|
| 600 | $ + c005(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 601 | $ + c007(l)*cc(l,i_oh)*cc(l,i_ho2) |
---|
| 602 | $ + c008(l)*cc(l,i_ho2)*cc(l,i_ho2) |
---|
| 603 | $ + c014(l)*cc(l,i_o3)*cc(l,i_oh) |
---|
| 604 | $ + 2.*c015(l)*cc(l,i_o3)*cc(l,i_ho2) |
---|
| 605 | $ + c016(l)*cc(l,i_ho2)*cc(l,i_ho2) |
---|
| 606 | $ + d001(l)*cc(l,i_o)*no2(l) |
---|
[1125] | 607 | |
---|
[334] | 608 | loss(l,i_o2) = j(l,j_o2_o) |
---|
| 609 | $ + j(l,j_o2_o1d) |
---|
| 610 | $ + a001(l)*cc(l,i_o) |
---|
| 611 | $ + c011(l)*cc(l,i_h) |
---|
[1125] | 612 | |
---|
[334] | 613 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 614 | c h2 |
---|
| 615 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 616 | |
---|
[334] | 617 | production(l,i_h2) = c005(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 618 | $ + c018(l)*cc(l,i_h)*cc(l,i_h) |
---|
[1125] | 619 | |
---|
[334] | 620 | loss(l,i_h2) = b003(l)*cc(l,i_o1d) |
---|
| 621 | $ + c010(l)*cc(l,i_oh) |
---|
[1125] | 622 | |
---|
[334] | 623 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 624 | c h2o |
---|
| 625 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 626 | |
---|
[334] | 627 | production(l,i_h2o) = |
---|
| 628 | $ c006(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 629 | $ + c007(l)*cc(l,i_oh)*cc(l,i_ho2) |
---|
| 630 | $ + c009(l)*cc(l,i_oh)*cc(l,i_h2o2) |
---|
| 631 | $ + c010(l)*cc(l,i_oh)*cc(l,i_h2) |
---|
| 632 | $ + c013(l)*cc(l,i_oh)*cc(l,i_oh) |
---|
| 633 | $ + h004(l)*cc(l,i_h2o2)*hetero_ice |
---|
[1125] | 634 | |
---|
[334] | 635 | loss(l,i_h2o) = j(l,j_h2o) |
---|
| 636 | $ + b002(l)*cc(l,i_o1d) |
---|
| 637 | $ + t001(l) |
---|
[1125] | 638 | |
---|
[334] | 639 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 640 | c h2o2 |
---|
| 641 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 642 | |
---|
[334] | 643 | production(l,i_h2o2) = |
---|
| 644 | $ c008(l)*cc(l,i_ho2)*cc(l,i_ho2) |
---|
| 645 | $ + c016(l)*cc(l,i_ho2)*cc(l,i_ho2) |
---|
| 646 | $ + c017(l)*cc(l,i_oh)*cc(l,i_oh) |
---|
| 647 | c $ + 0.5*h001(l)*cc(l,i_ho2)*hetero_ice |
---|
| 648 | c $ + 0.5*h002(l)*cc(l,i_oh)*hetero_ice |
---|
[1125] | 649 | |
---|
[334] | 650 | loss(l,i_h2o2) = j(l,j_h2o2) |
---|
| 651 | $ + c009(l)*cc(l,i_oh) |
---|
| 652 | $ + c012(l)*cc(l,i_o) |
---|
| 653 | $ + h004(l)*hetero_ice |
---|
| 654 | $ + h005(l)*hetero_dust |
---|
[1125] | 655 | |
---|
[334] | 656 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 657 | c hox = h + oh + ho2 |
---|
| 658 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 659 | |
---|
[334] | 660 | production(l,i_hox) = |
---|
| 661 | $ 2.*j(l,j_h2o)*cc(l,i_h2o) |
---|
| 662 | $ + 2.*j(l,j_h2o2)*cc(l,i_h2o2) |
---|
| 663 | $ + 2.*b002(l)*cc(l,i_o1d)*cc(l,i_h2o) |
---|
| 664 | $ + 2.*b003(l)*cc(l,i_o1d)*cc(l,i_h2) |
---|
| 665 | $ + 2.*c012(l)*cc(l,i_o)*cc(l,i_h2o2) |
---|
| 666 | $ + 2.*t001(l)*cc(l,i_h2o) |
---|
[1125] | 667 | |
---|
[334] | 668 | loss(l,i_hox) = 2.*c005(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 669 | $ + 2.*c006(l)*cc(l,i_h)*cc(l,i_ho2) |
---|
| 670 | $ + 2.*c007(l)*cc(l,i_oh)*cc(l,i_ho2) |
---|
| 671 | $ + 2.*c008(l)*cc(l,i_ho2)*cc(l,i_ho2) |
---|
| 672 | $ + 2.*c013(l)*cc(l,i_oh)*cc(l,i_oh) |
---|
| 673 | $ + 2.*c016(l)*cc(l,i_ho2)*cc(l,i_ho2) |
---|
| 674 | $ + 2.*c017(l)*cc(l,i_oh)*cc(l,i_oh) |
---|
| 675 | $ + 2.*c018(l)*cc(l,i_h)*cc(l,i_h) |
---|
| 676 | $ + h001(l)*cc(l,i_ho2)*hetero_ice |
---|
| 677 | $ + h002(l)*cc(l,i_oh)*hetero_ice |
---|
| 678 | $ + h003(l)*cc(l,i_ho2)*hetero_dust |
---|
[1125] | 679 | |
---|
[334] | 680 | loss(l,i_hox) = loss(l,i_hox)/cc(l,i_hox) |
---|
[1125] | 681 | |
---|
[334] | 682 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 683 | c ch4 |
---|
| 684 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 685 | |
---|
[334] | 686 | production(l,i_ch4) = 0. |
---|
[1125] | 687 | |
---|
[334] | 688 | loss(l,i_ch4) = j(l,j_ch4_ch3_h) |
---|
| 689 | $ + j(l,j_ch4_1ch2_h2) |
---|
| 690 | $ + j(l,j_ch4_3ch2_h_h) |
---|
| 691 | $ + j(l,j_ch4_ch_h2_h) |
---|
| 692 | $ + b007(l)*cc(l,i_o1d) |
---|
| 693 | $ + b008(l)*cc(l,i_o1d) |
---|
| 694 | $ + b009(l)*cc(l,i_o1d) |
---|
| 695 | $ + e003(l)*cc(l,i_oh) |
---|
[1125] | 696 | |
---|
[334] | 697 | end do |
---|
[1125] | 698 | |
---|
[334] | 699 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 700 | c update number densities |
---|
| 701 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 702 | |
---|
[334] | 703 | c long-lived species |
---|
[1125] | 704 | |
---|
[334] | 705 | do l = 1,lswitch-1 |
---|
| 706 | cc(l,i_co2) = (cc0(l,i_co2) + production(l,i_co2)*dt) |
---|
| 707 | $ /(1. + loss(l,i_co2)*dt) |
---|
| 708 | cc(l,i_co) = (cc0(l,i_co) + production(l,i_co)*dt) |
---|
| 709 | $ /(1. + loss(l,i_co)*dt) |
---|
| 710 | cc(l,i_o2) = (cc0(l,i_o2) + production(l,i_o2)*dt) |
---|
| 711 | $ /(1. + loss(l,i_o2)*dt) |
---|
| 712 | cc(l,i_h2) = (cc0(l,i_h2) + production(l,i_h2)*dt) |
---|
| 713 | $ /(1. + loss(l,i_h2)*dt) |
---|
| 714 | cc(l,i_h2o2)= (cc0(l,i_h2o2) + production(l,i_h2o2)*dt) |
---|
| 715 | $ /(1. + loss(l,i_h2o2)*dt) |
---|
| 716 | cc(l,i_h2o) = (cc0(l,i_h2o) + production(l,i_h2o)*dt) |
---|
| 717 | $ /(1. + loss(l,i_h2o)*dt) |
---|
| 718 | cc(l,i_hox) = (cc0(l,i_hox) + production(l,i_hox)*dt) |
---|
| 719 | $ /(1. + loss(l,i_hox)*dt) |
---|
| 720 | cc(l,i_ch4) = (cc0(l,i_ch4) + production(l,i_ch4)*dt) |
---|
| 721 | $ /(1. + loss(l,i_ch4)*dt) |
---|
| 722 | end do |
---|
[1125] | 723 | |
---|
[334] | 724 | c ox species |
---|
[1125] | 725 | |
---|
[334] | 726 | if (sza .le. 95.) then |
---|
| 727 | do l = 1,lswitch-1 |
---|
| 728 | cc(l,i_ox) = (cc0(l,i_ox) + production(l,i_ox)*dt) |
---|
| 729 | $ /(1. + loss(l,i_ox)*dt) |
---|
| 730 | end do |
---|
| 731 | else |
---|
| 732 | do l = 1,lswitch-1 |
---|
| 733 | cc(l,i_o) = (cc0(l,i_o) + production(l,i_o)*dt) |
---|
| 734 | $ /(1. + loss(l,i_o)*dt) |
---|
| 735 | cc(l,i_o3) = (cc0(l,i_o3) + production(l,i_o3)*dt) |
---|
| 736 | $ /(1. + loss(l,i_o3)*dt) |
---|
| 737 | cc(l,i_ox) = cc(l,i_o) + cc(l,i_o3) |
---|
| 738 | end do |
---|
| 739 | end if |
---|
[1125] | 740 | |
---|
[334] | 741 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 742 | c end of loop over iterations |
---|
| 743 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 744 | |
---|
[334] | 745 | end do |
---|
[1125] | 746 | |
---|
[334] | 747 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 748 | c density -> volume mixing ratio conversion |
---|
| 749 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 750 | |
---|
[334] | 751 | do iesp = 1,nesp |
---|
| 752 | do l = 1,lswitch-1 |
---|
| 753 | rm(l,iesp) = max(cc(l,iesp)/dens(l), 1.e-30) |
---|
| 754 | end do |
---|
| 755 | end do |
---|
[1125] | 756 | |
---|
[334] | 757 | return |
---|
| 758 | end |
---|
[1125] | 759 | |
---|
[334] | 760 | c***************************************************************** |
---|
[1125] | 761 | |
---|
| 762 | subroutine gcmtochim(nlayer, nq, zycol, lswitch, nesp, rm) |
---|
| 763 | |
---|
[334] | 764 | c***************************************************************** |
---|
[1125] | 765 | |
---|
| 766 | use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, |
---|
[1036] | 767 | & igcm_o2, igcm_o3, igcm_h, igcm_h2, igcm_oh, |
---|
| 768 | & igcm_ho2, igcm_h2o2, igcm_n2, igcm_h2o_vap, |
---|
| 769 | & igcm_ch4 |
---|
[1125] | 770 | |
---|
[334] | 771 | implicit none |
---|
[1125] | 772 | |
---|
[334] | 773 | #include "callkeys.h" |
---|
[1125] | 774 | |
---|
[334] | 775 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 776 | c inputs: |
---|
| 777 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 778 | |
---|
| 779 | integer, intent(in) :: nlayer ! number of atmospheric layers |
---|
| 780 | integer, intent(in) :: nq ! number of tracers |
---|
| 781 | real :: zycol(nlayer,nq) ! species volume mixing ratio in the gcm |
---|
| 782 | |
---|
| 783 | integer :: nesp ! number of species in the chemistry |
---|
| 784 | integer :: lswitch ! interface level between chemistries |
---|
| 785 | |
---|
[334] | 786 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 787 | c outputs: |
---|
| 788 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 789 | |
---|
| 790 | real :: rm(nlayer,nesp) ! species volume mixing ratio |
---|
| 791 | |
---|
[334] | 792 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 793 | c local: |
---|
| 794 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 795 | |
---|
| 796 | integer :: l, iq |
---|
[334] | 797 | |
---|
| 798 | c tracer indexes in the chemistry: |
---|
| 799 | |
---|
| 800 | integer,parameter :: i_co2 = 1 |
---|
| 801 | integer,parameter :: i_co = 2 |
---|
| 802 | integer,parameter :: i_o = 3 |
---|
| 803 | integer,parameter :: i_o1d = 4 |
---|
| 804 | integer,parameter :: i_o2 = 5 |
---|
| 805 | integer,parameter :: i_o3 = 6 |
---|
| 806 | integer,parameter :: i_h = 7 |
---|
| 807 | integer,parameter :: i_h2 = 8 |
---|
| 808 | integer,parameter :: i_oh = 9 |
---|
| 809 | integer,parameter :: i_ho2 = 10 |
---|
| 810 | integer,parameter :: i_h2o2 = 11 |
---|
| 811 | integer,parameter :: i_ch4 = 12 |
---|
| 812 | integer,parameter :: i_h2o = 13 |
---|
| 813 | integer,parameter :: i_n2 = 14 |
---|
| 814 | integer,parameter :: i_hox = 15 |
---|
| 815 | integer,parameter :: i_ox = 16 |
---|
[1125] | 816 | |
---|
[334] | 817 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 818 | c initialise chemical species |
---|
| 819 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 820 | |
---|
[334] | 821 | do l = 1,lswitch-1 |
---|
| 822 | rm(l,i_co2) = max(zycol(l, igcm_co2), 1.e-30) |
---|
| 823 | rm(l,i_co) = max(zycol(l, igcm_co), 1.e-30) |
---|
| 824 | rm(l,i_o) = max(zycol(l, igcm_o), 1.e-30) |
---|
| 825 | rm(l,i_o1d) = max(zycol(l, igcm_o1d), 1.e-30) |
---|
| 826 | rm(l,i_o2) = max(zycol(l, igcm_o2), 1.e-30) |
---|
| 827 | rm(l,i_o3) = max(zycol(l, igcm_o3), 1.e-30) |
---|
| 828 | rm(l,i_h) = max(zycol(l, igcm_h), 1.e-30) |
---|
| 829 | rm(l,i_h2) = max(zycol(l, igcm_h2), 1.e-30) |
---|
| 830 | rm(l,i_oh) = max(zycol(l, igcm_oh), 1.e-30) |
---|
| 831 | rm(l,i_ho2) = max(zycol(l, igcm_ho2), 1.e-30) |
---|
| 832 | rm(l,i_h2o2) = max(zycol(l, igcm_h2o2), 1.e-30) |
---|
| 833 | rm(l,i_n2) = max(zycol(l, igcm_n2), 1.e-30) |
---|
| 834 | rm(l,i_h2o) = max(zycol(l, igcm_h2o_vap), 1.e-30) |
---|
| 835 | end do |
---|
[618] | 836 | |
---|
| 837 | if (igcm_ch4 .eq. 0) then |
---|
| 838 | do l = 1,lswitch-1 |
---|
| 839 | rm(l,i_ch4) = 0. |
---|
| 840 | end do |
---|
| 841 | else |
---|
| 842 | do l = 1,lswitch-1 |
---|
| 843 | rm(l,i_ch4) = max(zycol(l,igcm_ch4), 1.e-30) |
---|
| 844 | end do |
---|
| 845 | end if |
---|
[1125] | 846 | |
---|
[334] | 847 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 848 | c initialise chemical families c |
---|
| 849 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 850 | |
---|
[334] | 851 | do l = 1,lswitch-1 |
---|
| 852 | rm(l,i_hox) = rm(l,i_h) |
---|
| 853 | $ + rm(l,i_oh) |
---|
| 854 | $ + rm(l,i_ho2) |
---|
| 855 | rm(l,i_ox) = rm(l,i_o) |
---|
| 856 | $ + rm(l,i_o3) |
---|
| 857 | end do |
---|
[1125] | 858 | |
---|
[334] | 859 | return |
---|
| 860 | end |
---|
[1125] | 861 | |
---|
[334] | 862 | c***************************************************************** |
---|
| 863 | c |
---|
[1125] | 864 | subroutine chimtogcm(nlayer, nq, zycol, lswitch, nesp, rm) |
---|
[334] | 865 | c |
---|
| 866 | c***************************************************************** |
---|
| 867 | c |
---|
[1125] | 868 | use tracer_mod, only: igcm_co2, igcm_co, igcm_o, igcm_o1d, |
---|
[1036] | 869 | & igcm_o2, igcm_o3, igcm_h, igcm_h2, igcm_oh, |
---|
| 870 | & igcm_ho2, igcm_h2o2, igcm_n2, igcm_h2o_vap, |
---|
| 871 | & igcm_ch4 |
---|
[1125] | 872 | |
---|
[334] | 873 | implicit none |
---|
[1125] | 874 | |
---|
[334] | 875 | #include "callkeys.h" |
---|
[1125] | 876 | |
---|
[334] | 877 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 878 | c inputs: |
---|
| 879 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 880 | |
---|
| 881 | integer, intent(in) :: nlayer ! number of atmospheric layers |
---|
| 882 | integer, intent(in) :: nq ! number of tracers |
---|
| 883 | integer :: nesp ! number of species in the chemistry |
---|
| 884 | integer :: lswitch ! interface level between chemistries |
---|
| 885 | |
---|
| 886 | real :: rm(nlayer,nesp) ! species volume mixing ratio |
---|
| 887 | |
---|
[334] | 888 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 889 | c output: |
---|
| 890 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 891 | |
---|
| 892 | real :: zycol(nlayer,nq) ! species volume mixing ratio in the gcm |
---|
| 893 | |
---|
[334] | 894 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 895 | c local: |
---|
| 896 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 897 | |
---|
| 898 | integer l, iq |
---|
[334] | 899 | |
---|
| 900 | c tracer indexes in the chemistry: |
---|
| 901 | |
---|
| 902 | integer,parameter :: i_co2 = 1 |
---|
| 903 | integer,parameter :: i_co = 2 |
---|
| 904 | integer,parameter :: i_o = 3 |
---|
| 905 | integer,parameter :: i_o1d = 4 |
---|
| 906 | integer,parameter :: i_o2 = 5 |
---|
| 907 | integer,parameter :: i_o3 = 6 |
---|
| 908 | integer,parameter :: i_h = 7 |
---|
| 909 | integer,parameter :: i_h2 = 8 |
---|
| 910 | integer,parameter :: i_oh = 9 |
---|
| 911 | integer,parameter :: i_ho2 = 10 |
---|
| 912 | integer,parameter :: i_h2o2 = 11 |
---|
| 913 | integer,parameter :: i_ch4 = 12 |
---|
| 914 | integer,parameter :: i_h2o = 13 |
---|
| 915 | integer,parameter :: i_n2 = 14 |
---|
| 916 | integer,parameter :: i_hox = 15 |
---|
| 917 | integer,parameter :: i_ox = 16 |
---|
[1125] | 918 | |
---|
[334] | 919 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 920 | c save mixing ratios for the gcm |
---|
| 921 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 922 | |
---|
[334] | 923 | do l = 1,lswitch-1 |
---|
| 924 | zycol(l, igcm_co2) = rm(l,i_co2) |
---|
| 925 | zycol(l, igcm_co) = rm(l,i_co) |
---|
| 926 | zycol(l, igcm_o) = rm(l,i_o) |
---|
| 927 | zycol(l, igcm_o1d) = rm(l,i_o1d) |
---|
| 928 | zycol(l, igcm_o2) = rm(l,i_o2) |
---|
| 929 | zycol(l, igcm_o3) = rm(l,i_o3) |
---|
| 930 | zycol(l, igcm_h) = rm(l,i_h) |
---|
| 931 | zycol(l, igcm_h2) = rm(l,i_h2) |
---|
| 932 | zycol(l, igcm_oh) = rm(l,i_oh) |
---|
| 933 | zycol(l, igcm_ho2) = rm(l,i_ho2) |
---|
| 934 | zycol(l, igcm_h2o2) = rm(l,i_h2o2) |
---|
| 935 | zycol(l, igcm_n2) = rm(l,i_n2) |
---|
| 936 | zycol(l, igcm_h2o_vap) = rm(l,i_h2o) |
---|
| 937 | end do |
---|
[618] | 938 | |
---|
| 939 | if (igcm_ch4 .ne. 0) then |
---|
| 940 | do l = 1,lswitch-1 |
---|
| 941 | zycol(l,igcm_ch4) = rm(l,i_ch4) |
---|
| 942 | end do |
---|
| 943 | end if |
---|
[1125] | 944 | |
---|
[334] | 945 | return |
---|
| 946 | end |
---|
[1125] | 947 | |
---|
[334] | 948 | c***************************************************************** |
---|
[1125] | 949 | |
---|
| 950 | subroutine chemrates(nlayer, |
---|
| 951 | $ lswitch, dens, press, t, |
---|
[334] | 952 | $ surfdust1d, surfice1d, |
---|
| 953 | $ a001, a002, a003, |
---|
| 954 | $ b001, b002, b003, b004, b005, b006, |
---|
| 955 | $ b007, b008, b009, |
---|
| 956 | $ c001, c002, c003, c004, c005, c006, |
---|
| 957 | $ c007, c008, c009, c010, c011, c012, |
---|
| 958 | $ c013, c014, c015, c016, c017, c018, |
---|
| 959 | $ d001, d002, d003, |
---|
| 960 | $ e001, e002, e003, |
---|
| 961 | $ h001, h002, h003, h004, h005, |
---|
| 962 | $ t001, t002, t003, tau) |
---|
[1125] | 963 | |
---|
[334] | 964 | c***************************************************************** |
---|
[1125] | 965 | |
---|
[1226] | 966 | USE comcstfi_h |
---|
[334] | 967 | implicit none |
---|
[1125] | 968 | |
---|
[334] | 969 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 970 | c inputs: c |
---|
| 971 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 972 | |
---|
[1125] | 973 | integer, intent(in) :: nlayer ! number of atmospheric layers |
---|
| 974 | integer :: lswitch ! interface level between chemistries |
---|
| 975 | |
---|
| 976 | real :: dens(nlayer) ! density (cm-3) |
---|
| 977 | real :: press(nlayer) ! pressure (hpa) |
---|
| 978 | real :: t(nlayer) ! temperature (k) |
---|
| 979 | real :: surfdust1d(nlayer) ! dust surface area (cm^2/cm^3) |
---|
| 980 | real :: surfice1d(nlayer) ! ice surface area (cm^2/cm^3) |
---|
| 981 | real :: tau ! dust opacity at 7 hpa |
---|
| 982 | |
---|
| 983 | real, parameter :: tribo = 0. ! switch for triboelectricity |
---|
| 984 | |
---|
[334] | 985 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 986 | c outputs: c |
---|
| 987 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 988 | |
---|
| 989 | real :: a001(nlayer), a002(nlayer), a003(nlayer) |
---|
| 990 | real :: b001(nlayer), b002(nlayer), b003(nlayer), |
---|
| 991 | $ b004(nlayer), b005(nlayer), b006(nlayer), |
---|
| 992 | $ b007(nlayer), b008(nlayer), b009(nlayer) |
---|
| 993 | real :: c001(nlayer), c002(nlayer), c003(nlayer), |
---|
| 994 | $ c004(nlayer), c005(nlayer), c006(nlayer), |
---|
| 995 | $ c007(nlayer), c008(nlayer), c009(nlayer), |
---|
| 996 | $ c010(nlayer), c011(nlayer), c012(nlayer), |
---|
| 997 | $ c013(nlayer), c014(nlayer), c015(nlayer), |
---|
| 998 | $ c016(nlayer), c017(nlayer), c018(nlayer) |
---|
| 999 | real :: d001(nlayer), d002(nlayer), d003(nlayer) |
---|
| 1000 | real :: e001(nlayer), e002(nlayer), e003(nlayer) |
---|
| 1001 | real :: h001(nlayer), h002(nlayer), h003(nlayer), |
---|
| 1002 | $ h004(nlayer), h005(nlayer) |
---|
| 1003 | real :: t001(nlayer), t002(nlayer), t003(nlayer) |
---|
| 1004 | |
---|
[334] | 1005 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1006 | c local: c |
---|
| 1007 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 1008 | |
---|
| 1009 | real :: ak0, ak1, rate, rate1, rate2, xpo, xpo1, xpo2 |
---|
| 1010 | real :: ef, efmax, lossh2o, lossch4, lossco2 |
---|
| 1011 | |
---|
| 1012 | integer :: l |
---|
| 1013 | real :: k1a, k1b, k1a0, k1b0, k1ainf |
---|
| 1014 | real :: x, y, fc, fx |
---|
| 1015 | |
---|
[334] | 1016 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1017 | c compute reaction rates |
---|
| 1018 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
[1125] | 1019 | |
---|
[334] | 1020 | do l = 1,lswitch-1 |
---|
[1125] | 1021 | |
---|
[334] | 1022 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1023 | c oxygen compounds |
---|
| 1024 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1025 | c |
---|
| 1026 | ccc a001: o + o2 + co2 -> o3 + co2 |
---|
| 1027 | c |
---|
| 1028 | c jpl 2003 |
---|
| 1029 | c |
---|
[576] | 1030 | c co2 efficiency as a third body (2.075) |
---|
| 1031 | c from sehested et al., j. geophys. res., 100, 1995. |
---|
| 1032 | c |
---|
| 1033 | a001(l) = 2.075 |
---|
[334] | 1034 | $ *6.0e-34*(t(l)/300.)**(-2.4)*dens(l) |
---|
| 1035 | c |
---|
| 1036 | c mulcahy and williams, 1968 |
---|
| 1037 | c |
---|
| 1038 | c a001(l) = 2.68e-33*(t(l)/298.)**(-2.4)*dens(l) |
---|
| 1039 | c |
---|
| 1040 | c nair et al., 1994 |
---|
| 1041 | c |
---|
| 1042 | c a001(l) = 1.3e-34*exp(724./t(l))*dens(l) |
---|
| 1043 | c |
---|
| 1044 | ccc a002: o + o + co2 -> o2 + co2 |
---|
| 1045 | c |
---|
| 1046 | c Tsang and Hampson, J. Chem. Phys. Ref. Data, 15, 1087, 1986 |
---|
| 1047 | c |
---|
| 1048 | c a002(l) = 2.5*5.2e-35*exp(900./t(l))*dens(l) |
---|
| 1049 | c |
---|
| 1050 | c Campbell and Gray, Chem. Phys. Lett., 18, 607, 1973 |
---|
| 1051 | c |
---|
| 1052 | c a002(l) = 1.2e-32*(300./t(l))**(2.0)*dens(l) ! yung expression |
---|
| 1053 | c |
---|
| 1054 | a002(l) = 2.5*9.46e-34*exp(485./t(l))*dens(l) ! nist expression |
---|
| 1055 | c |
---|
| 1056 | c baulch et al., 1976 confirmed by smith and robertson, 2008 |
---|
| 1057 | c |
---|
| 1058 | c a002(l) = 2.5*2.76e-34*exp(720./t(l))*dens(l) |
---|
| 1059 | c |
---|
| 1060 | ccc a003: o + o3 -> o2 + o2 |
---|
| 1061 | c |
---|
| 1062 | c jpl 2003 |
---|
| 1063 | c |
---|
| 1064 | a003(l) = 8.0e-12*exp(-2060./t(l)) |
---|
| 1065 | c |
---|
| 1066 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1067 | c reactions with o(1d) |
---|
| 1068 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1069 | c |
---|
| 1070 | ccc b001: o(1d) + co2 -> o + co2 |
---|
| 1071 | c |
---|
| 1072 | c jpl 2003 |
---|
| 1073 | c |
---|
| 1074 | c b001(l) = 7.4e-11*exp(120./t(l)) |
---|
| 1075 | c |
---|
| 1076 | c jpl 2006 |
---|
| 1077 | c |
---|
| 1078 | b001(l) = 7.5e-11*exp(115./t(l)) |
---|
| 1079 | c |
---|
| 1080 | ccc b002: o(1d) + h2o -> oh + oh |
---|
| 1081 | c |
---|
| 1082 | c jpl 2003 |
---|
| 1083 | c |
---|
| 1084 | c b002(l) = 2.2e-10 |
---|
| 1085 | c |
---|
| 1086 | c jpl 2006 |
---|
| 1087 | c |
---|
| 1088 | b002(l) = 1.63e-10*exp(60./t(l)) |
---|
| 1089 | c |
---|
| 1090 | ccc b003: o(1d) + h2 -> oh + h |
---|
| 1091 | c |
---|
[408] | 1092 | c jpl 2011 |
---|
[334] | 1093 | c |
---|
[408] | 1094 | b003(l) = 1.2e-10 |
---|
[334] | 1095 | c |
---|
| 1096 | ccc b004: o(1d) + o2 -> o + o2 |
---|
| 1097 | c |
---|
| 1098 | c jpl 2003 |
---|
| 1099 | c |
---|
| 1100 | c b004(l) = 3.2e-11*exp(70./t(l)) |
---|
| 1101 | c |
---|
| 1102 | c jpl 2006 |
---|
| 1103 | c |
---|
| 1104 | b004(l) = 3.3e-11*exp(55./t(l)) |
---|
| 1105 | c |
---|
| 1106 | ccc b005: o(1d) + o3 -> o2 + o2 |
---|
| 1107 | c |
---|
| 1108 | c jpl 2003 |
---|
| 1109 | c |
---|
| 1110 | b005(l) = 1.2e-10 |
---|
| 1111 | c |
---|
| 1112 | ccc b006: o(1d) + o3 -> o2 + o + o |
---|
| 1113 | c |
---|
| 1114 | c jpl 2003 |
---|
| 1115 | c |
---|
| 1116 | b006(l) = 1.2e-10 |
---|
| 1117 | c |
---|
| 1118 | ccc b007: o(1d) + ch4 -> ch3 + oh |
---|
| 1119 | c |
---|
| 1120 | c jpl 2003 |
---|
| 1121 | c |
---|
| 1122 | b007(l) = 1.5e-10*0.75 |
---|
| 1123 | c |
---|
| 1124 | ccc b008: o(1d) + ch4 -> ch3o + h |
---|
| 1125 | c |
---|
| 1126 | c jpl 2003 |
---|
| 1127 | c |
---|
| 1128 | b008(l) = 1.5e-10*0.20 |
---|
| 1129 | c |
---|
| 1130 | ccc b009: o(1d) + ch4 -> ch2o + h2 |
---|
| 1131 | c |
---|
| 1132 | c jpl 2003 |
---|
| 1133 | c |
---|
| 1134 | b009(l) = 1.5e-10*0.05 |
---|
| 1135 | c |
---|
| 1136 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1137 | c hydrogen compounds |
---|
| 1138 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1139 | c |
---|
| 1140 | ccc c001: o + ho2 -> oh + o2 |
---|
| 1141 | c |
---|
| 1142 | c jpl 2003 |
---|
| 1143 | c |
---|
| 1144 | c001(l) = 3.0e-11*exp(200./t(l)) |
---|
| 1145 | c |
---|
| 1146 | ccc c002: o + oh -> o2 + h |
---|
| 1147 | c |
---|
[408] | 1148 | c jpl 2011 |
---|
[334] | 1149 | c |
---|
[408] | 1150 | c002(l) = 1.8e-11*exp(180./t(l)) |
---|
[334] | 1151 | c |
---|
| 1152 | c robertson and smith, j. chem. phys. a 110, 6673, 2006 |
---|
| 1153 | c |
---|
| 1154 | c c002(l) = 11.2e-11*t(l)**(-0.32)*exp(177./t(l)) |
---|
| 1155 | c |
---|
| 1156 | ccc c003: h + o3 -> oh + o2 |
---|
| 1157 | c |
---|
| 1158 | c jpl 2003 |
---|
| 1159 | c |
---|
| 1160 | c003(l) = 1.4e-10*exp(-470./t(l)) |
---|
| 1161 | c |
---|
| 1162 | ccc c004: h + ho2 -> oh + oh |
---|
| 1163 | c |
---|
| 1164 | c jpl 2003 |
---|
| 1165 | c |
---|
| 1166 | c c004(l) = 8.1e-11*0.90 |
---|
| 1167 | c |
---|
| 1168 | c jpl 2006 |
---|
| 1169 | c |
---|
| 1170 | c004(l) = 7.2e-11 |
---|
| 1171 | c |
---|
| 1172 | ccc c005: h + ho2 -> h2 + o2 |
---|
| 1173 | c |
---|
| 1174 | c jpl 2003 |
---|
| 1175 | c |
---|
| 1176 | c c005(l) = 8.1e-11*0.08 |
---|
| 1177 | c |
---|
| 1178 | c jpl 2006 |
---|
| 1179 | c |
---|
| 1180 | c005(l) = 6.9e-12 |
---|
| 1181 | c |
---|
| 1182 | ccc c006: h + ho2 -> h2o + o |
---|
| 1183 | c |
---|
| 1184 | c jpl 2003 |
---|
| 1185 | c |
---|
| 1186 | c c006(l) = 8.1e-11*0.02 |
---|
| 1187 | c |
---|
| 1188 | c jpl 2006 |
---|
| 1189 | c |
---|
| 1190 | c006(l) = 1.6e-12 |
---|
| 1191 | c |
---|
| 1192 | ccc c007: oh + ho2 -> h2o + o2 |
---|
| 1193 | c |
---|
| 1194 | c jpl 2003 |
---|
| 1195 | c |
---|
| 1196 | c007(l) = 4.8e-11*exp(250./t(l)) |
---|
| 1197 | c |
---|
| 1198 | c jpl 2003 +20% d'apres canty et al., grl, 2006 |
---|
| 1199 | c |
---|
| 1200 | c c007(l) = 4.8e-11*exp(250./t(l))*1.2 |
---|
| 1201 | c |
---|
| 1202 | ccc c008: ho2 + ho2 -> h2o2 + o2 |
---|
| 1203 | c |
---|
| 1204 | c jpl 2003 |
---|
| 1205 | c |
---|
| 1206 | c c008(l) = 2.3e-13*exp(600./t(l)) |
---|
| 1207 | c |
---|
| 1208 | c christensen et al., grl, 13, 2002 |
---|
| 1209 | c |
---|
| 1210 | c008(l) = 1.5e-12*exp(19./t(l)) |
---|
| 1211 | c |
---|
| 1212 | ccc c009: oh + h2o2 -> h2o + ho2 |
---|
| 1213 | c |
---|
| 1214 | c jpl 2003 |
---|
| 1215 | c |
---|
| 1216 | c c009(l) = 2.9e-12*exp(-160./t(l)) |
---|
| 1217 | c |
---|
| 1218 | c jpl 2006 |
---|
| 1219 | c |
---|
| 1220 | c009(l) = 1.8e-12 |
---|
| 1221 | c |
---|
| 1222 | ccc c010: oh + h2 -> h2o + h |
---|
| 1223 | c |
---|
| 1224 | c jpl 2003 |
---|
| 1225 | c |
---|
| 1226 | c c010(l) = 5.5e-12*exp(-2000./t(l)) |
---|
| 1227 | c |
---|
| 1228 | c jpl 2006 |
---|
| 1229 | c |
---|
| 1230 | c010(l) = 2.8e-12*exp(-1800./t(l)) |
---|
| 1231 | c |
---|
| 1232 | ccc c011: h + o2 + co2 -> ho2 + co2 |
---|
| 1233 | c |
---|
[408] | 1234 | c jpl 2011 |
---|
[334] | 1235 | c |
---|
| 1236 | ak0 = 2.5*4.4e-32*(t(l)/300.)**(-1.3) |
---|
[408] | 1237 | ak1 = 7.5e-11*(t(l)/300.)**(0.2) |
---|
[334] | 1238 | c |
---|
| 1239 | rate = (ak0*dens(l))/(1. + ak0*dens(l)/ak1) |
---|
| 1240 | xpo = 1./(1. + alog10((ak0*dens(l))/ak1)**2) |
---|
| 1241 | c011(l) = rate*0.6**xpo |
---|
| 1242 | c |
---|
| 1243 | ccc c012: o + h2o2 -> oh + ho2 |
---|
| 1244 | c |
---|
| 1245 | c jpl 2003 |
---|
| 1246 | c |
---|
| 1247 | c012(l) = 1.4e-12*exp(-2000./t(l)) |
---|
| 1248 | c |
---|
| 1249 | ccc c013: oh + oh -> h2o + o |
---|
| 1250 | c |
---|
| 1251 | c jpl 2003 |
---|
| 1252 | c |
---|
| 1253 | c c013(l) = 4.2e-12*exp(-240./t(l)) |
---|
| 1254 | c |
---|
| 1255 | c jpl 2006 |
---|
| 1256 | c |
---|
| 1257 | c013(l) = 1.8e-12 |
---|
| 1258 | c |
---|
| 1259 | ccc c014: oh + o3 -> ho2 + o2 |
---|
| 1260 | c |
---|
| 1261 | c jpl 2003 |
---|
| 1262 | c |
---|
| 1263 | c014(l) = 1.7e-12*exp(-940./t(l)) |
---|
| 1264 | c |
---|
| 1265 | c jpl 2000 |
---|
| 1266 | c |
---|
| 1267 | c c014(l) = 1.5e-12*exp(-880./t(l)) |
---|
| 1268 | c |
---|
| 1269 | c nair et al., 1994 (jpl 1997) |
---|
| 1270 | c |
---|
| 1271 | c c014(l) = 1.6e-12*exp(-940./t(l)) |
---|
| 1272 | c |
---|
| 1273 | ccc c015: ho2 + o3 -> oh + o2 + o2 |
---|
| 1274 | c |
---|
| 1275 | c jpl 2003 |
---|
| 1276 | c |
---|
| 1277 | c015(l) = 1.0e-14*exp(-490./t(l)) |
---|
| 1278 | c |
---|
| 1279 | c jpl 2000 |
---|
| 1280 | c |
---|
| 1281 | c c015(l) = 2.0e-14*exp(-680./t(l)) |
---|
| 1282 | c |
---|
| 1283 | c nair et al., 1994 (jpl 1997) |
---|
| 1284 | c |
---|
| 1285 | c c015(l) = 1.1e-14*exp(-500./t(l)) |
---|
| 1286 | c |
---|
| 1287 | ccc c016: ho2 + ho2 + co2 -> h2o2 + o2 + co2 |
---|
| 1288 | c |
---|
[408] | 1289 | c jpl 2011 |
---|
[334] | 1290 | c |
---|
[408] | 1291 | c016(l) = 2.5*2.1e-33 |
---|
| 1292 | $ *exp(920./t(l))*dens(l) |
---|
[334] | 1293 | c |
---|
| 1294 | ccc c017: oh + oh + co2 -> h2o2 + co2 |
---|
| 1295 | c |
---|
| 1296 | c jpl 2003 |
---|
| 1297 | c |
---|
| 1298 | ak0 = 2.5*6.9e-31*(t(l)/300.)**(-1.0) |
---|
| 1299 | ak1 = 2.6e-11*(t(l)/300.)**(0.0) |
---|
| 1300 | c |
---|
| 1301 | c jpl 1997 |
---|
| 1302 | c |
---|
| 1303 | c ak0 = 2.5*6.2e-31*(t(l)/300.)**(-1.0) |
---|
| 1304 | c ak1 = 2.6e-11*(t(l)/300.)**(0.0) |
---|
| 1305 | c |
---|
| 1306 | c nair et al., 1994 |
---|
| 1307 | c |
---|
| 1308 | c ak0 = 2.5*7.1e-31*(t(l)/300.)**(-0.8) |
---|
| 1309 | c ak1 = 1.5e-11*(t(l)/300.)**(0.0) |
---|
| 1310 | c |
---|
| 1311 | rate = (ak0*dens(l))/(1. + ak0*dens(l)/ak1) |
---|
| 1312 | xpo = 1./(1. + alog10((ak0*dens(l))/ak1)**2) |
---|
| 1313 | c017(l) = rate*0.6**xpo |
---|
| 1314 | c |
---|
| 1315 | ccc c018: h + h + co2 -> h2 + co2 |
---|
| 1316 | c |
---|
| 1317 | c baulch et al., 1992 |
---|
| 1318 | c |
---|
| 1319 | c c018(l) = 2.5*8.85e-33*(t(l)/298.)**(-0.6)*dens(l) |
---|
| 1320 | c |
---|
| 1321 | c baulch et al., 2005 |
---|
| 1322 | c |
---|
| 1323 | c018(l) = 2.5*1.8e-30*(t(l)**(-1.0))*dens(l) |
---|
| 1324 | c |
---|
| 1325 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1326 | c nitrogen compounds |
---|
| 1327 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1328 | c |
---|
| 1329 | ccc d001: no2 + o -> no + o2 |
---|
| 1330 | c |
---|
| 1331 | c jpl 2003 |
---|
| 1332 | c |
---|
| 1333 | c d001(l) = 5.6e-12*exp(180./t(l)) |
---|
| 1334 | c |
---|
| 1335 | ccc jpl 2006 |
---|
| 1336 | c |
---|
| 1337 | d001(l) = 5.1e-12*exp(210./t(l)) |
---|
| 1338 | c |
---|
| 1339 | ccc d002: no + o3 -> no2 + o2 |
---|
| 1340 | c |
---|
| 1341 | c jpl 2003 |
---|
| 1342 | c |
---|
| 1343 | d002(l) = 3.0e-12*exp(-1500./t(l)) |
---|
| 1344 | c |
---|
| 1345 | ccc d003: no + ho2 -> no2 + oh |
---|
| 1346 | c |
---|
[408] | 1347 | c jpl 2011 |
---|
[334] | 1348 | c |
---|
[408] | 1349 | d003(l) = 3.3e-12*exp(270./t(l)) |
---|
[334] | 1350 | c |
---|
| 1351 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1352 | c carbon compounds |
---|
| 1353 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1354 | c |
---|
| 1355 | ccc e001: oh + co -> co2 + h |
---|
| 1356 | c |
---|
| 1357 | c jpl 2003 |
---|
| 1358 | c |
---|
| 1359 | c e001(l) = 1.5e-13*(1 + 0.6*press(l)/1013.) |
---|
| 1360 | c |
---|
| 1361 | c mccabe et al., grl, 28, 3135, 2001 |
---|
| 1362 | c |
---|
| 1363 | c e001(l) = 1.57e-13 + 3.54e-33*dens(l) |
---|
| 1364 | c |
---|
| 1365 | c atkinson et al. 2006 |
---|
| 1366 | c |
---|
| 1367 | c e001(l) = 1.44e-13 + 3.43e-33*dens(l) |
---|
| 1368 | c |
---|
| 1369 | c joshi et al., 2006 |
---|
| 1370 | c |
---|
| 1371 | k1a0 = 1.34*2.5*dens(l) |
---|
| 1372 | $ *1/(1/(3.62e-26*t(l)**(-2.739)*exp(-20./t(l))) |
---|
| 1373 | $ + 1/(6.48e-33*t(l)**(0.14)*exp(-57./t(l)))) ! corrige de l'erreur publi |
---|
| 1374 | k1b0 = 1.17e-19*t(l)**(2.053)*exp(139./t(l)) |
---|
| 1375 | $ + 9.56e-12*t(l)**(-0.664)*exp(-167./t(l)) |
---|
| 1376 | k1ainf = 1.52e-17*t(l)**(1.858)*exp(28.8/t(l)) |
---|
| 1377 | $ + 4.78e-8*t(l)**(-1.851)*exp(-318./t(l)) |
---|
| 1378 | x = k1a0/(k1ainf - k1b0) |
---|
| 1379 | y = k1b0/(k1ainf - k1b0) |
---|
| 1380 | fc = 0.628*exp(-1223./t(l)) + (1. - 0.628)*exp(-39./t(l)) |
---|
| 1381 | $ + exp(-t(l)/255.) |
---|
| 1382 | fx = fc**(1./(1. + (alog(x))**2)) ! corrige de l'erreur publi |
---|
| 1383 | k1a = k1a0*((1. + y)/(1. + x))*fx |
---|
| 1384 | k1b = k1b0*(1./(1.+x))*fx |
---|
| 1385 | c |
---|
| 1386 | e001(l) = k1a + k1b |
---|
| 1387 | c |
---|
| 1388 | ccc e002: o + co + m -> co2 + m |
---|
| 1389 | c |
---|
| 1390 | c tsang and hampson, 1986. |
---|
| 1391 | c |
---|
| 1392 | e002(l) = 2.5*6.5e-33*exp(-2184./t(l))*dens(l) |
---|
| 1393 | c |
---|
| 1394 | c baulch et al., butterworths, 1976. |
---|
| 1395 | c |
---|
| 1396 | c e002(l) = 1.6e-32*exp(-2184./t(l))*dens(l) |
---|
| 1397 | c |
---|
| 1398 | ccc e003: ch4 + oh -> ch3 + h2o |
---|
| 1399 | c |
---|
| 1400 | c jpl 2003 |
---|
| 1401 | c |
---|
| 1402 | c e003(l) = 2.45e-12*exp(-1775./t(l)) |
---|
| 1403 | c |
---|
| 1404 | c jpl 2003, three-parameter expression |
---|
| 1405 | c |
---|
| 1406 | e003(l) = 2.80e-14*(t(l)**0.667)*exp(-1575./t(l)) |
---|
| 1407 | c |
---|
| 1408 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1409 | c heterogenous chemistry |
---|
| 1410 | cccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc |
---|
| 1411 | c |
---|
| 1412 | c k = (surface*v*gamma)/4 (s-1) |
---|
| 1413 | c v = 100*sqrt(8rt/(pi*m)) (cm s-1) |
---|
| 1414 | c |
---|
| 1415 | ccc h001: ho2 + ice -> products |
---|
| 1416 | c |
---|
| 1417 | c cooper and abbatt, 1996: gamma = 0.025 |
---|
| 1418 | c |
---|
| 1419 | h001(l) = surfice1d(l) |
---|
| 1420 | $ *100.*sqrt(8.*8.31*t(l)/(33.e-3*pi))*0.025/4. |
---|
| 1421 | c |
---|
| 1422 | c h002: oh + ice -> products |
---|
| 1423 | c |
---|
| 1424 | c cooper and abbatt, 1996: gamma = 0.03 |
---|
| 1425 | c |
---|
| 1426 | h002(l) = surfice1d(l) |
---|
| 1427 | $ *100.*sqrt(8.*8.31*t(l)/(17.e-3*pi))*0.03/4. |
---|
| 1428 | c |
---|
| 1429 | c h003: ho2 + dust -> products |
---|
| 1430 | c |
---|
| 1431 | c jacob, 2000: gamma = 0.2 |
---|
| 1432 | c see dereus et al., atm. chem. phys., 2005 |
---|
| 1433 | c |
---|
| 1434 | c h003(l) = surfdust1d(l) |
---|
| 1435 | c $ *100.*sqrt(8.*8.31*t(l)/(33.e-3*pi))*0.2/4. |
---|
| 1436 | h003(l) = 0. ! advised |
---|
| 1437 | c |
---|
| 1438 | ccc h004: h2o2 + ice -> products |
---|
| 1439 | c |
---|
| 1440 | c gamma = 1.e-3 test value |
---|
| 1441 | c |
---|
| 1442 | c h004(l) = surfice1d(l) |
---|
| 1443 | c $ *100.*sqrt(8.*8.31*t(l)/(34.e-3*pi))*0.001/4. |
---|
| 1444 | h004(l) = 0. ! advised |
---|
| 1445 | c |
---|
| 1446 | c h005: h2o2 + dust -> products |
---|
| 1447 | c |
---|
| 1448 | c gamma = 5.e-4 |
---|
| 1449 | c see dereus et al., atm. chem. phys., 2005 |
---|
| 1450 | c |
---|
| 1451 | h005(l) = surfdust1d(l) |
---|
| 1452 | $ *100.*sqrt(8.*8.31*t(l)/(34.e-3*pi))*5.e-4/4. |
---|
| 1453 | h005(l) = 0. ! advised |
---|
| 1454 | c |
---|
| 1455 | end do |
---|
| 1456 | c |
---|
| 1457 | if (tribo .eq. 1.) then |
---|
| 1458 | c |
---|
| 1459 | c electrochemical reactions |
---|
| 1460 | c |
---|
| 1461 | c efmax: maximum electric field (kv.m-1) |
---|
| 1462 | c |
---|
| 1463 | efmax = 23.3 |
---|
| 1464 | c |
---|
| 1465 | c ef: actual electric field, scaled by tau. |
---|
| 1466 | c |
---|
| 1467 | c if (tau .ge. 1.) then |
---|
| 1468 | c ef = efmax |
---|
| 1469 | c else |
---|
| 1470 | c ef = 0. |
---|
| 1471 | c end if |
---|
| 1472 | c ef = min(efmax,efmax*tau/1.0) |
---|
| 1473 | c |
---|
| 1474 | ef = (efmax/0.5)*tau - (efmax/0.5)*0.5 |
---|
| 1475 | c |
---|
| 1476 | ef = max(ef, 0.) |
---|
| 1477 | ef = min(ef, efmax) |
---|
| 1478 | c |
---|
| 1479 | ccc t001: h2o + e -> oh + h- |
---|
| 1480 | c |
---|
| 1481 | c lossh2o: fit of oh/h- production rates |
---|
| 1482 | c given by delory et al., astrobiology, 6, 451, 2006 |
---|
| 1483 | c |
---|
| 1484 | if (ef .eq. 0.) then |
---|
| 1485 | lossh2o = 0. |
---|
| 1486 | else if (ef .lt. 10.) then |
---|
| 1487 | lossh2o = 0.054136*exp(1.0978*ef) |
---|
| 1488 | else if (ef .lt. 16.) then |
---|
| 1489 | lossh2o = 64.85*exp(0.38894*ef) |
---|
| 1490 | else if (ef .le. 20.) then |
---|
| 1491 | lossh2o = 0.2466*exp(0.73719*ef) |
---|
| 1492 | else |
---|
| 1493 | lossh2o = 2.3269e-8*exp(1.546*ef) |
---|
| 1494 | end if |
---|
| 1495 | c |
---|
| 1496 | c production rates are given for h2o = 20 prec. microns. |
---|
| 1497 | c t001 is converted to first-order reaction rate |
---|
| 1498 | c assuming h2o number density at the surface = 5e13 mol cm-3 |
---|
| 1499 | c |
---|
| 1500 | do l = 1,21 ! 70 km |
---|
| 1501 | t001(l) = lossh2o/5.e13 ! s-1 |
---|
| 1502 | end do |
---|
| 1503 | do l = 22,lswitch-1 |
---|
| 1504 | t001(l) = 0. |
---|
| 1505 | end do |
---|
| 1506 | c |
---|
| 1507 | ccc t002: ch4 + e -> products |
---|
| 1508 | c |
---|
| 1509 | c lossch4: fit of ch4 loss rates |
---|
| 1510 | c given by farrell et al., grl, 33, 2006 |
---|
| 1511 | c |
---|
| 1512 | if (ef .eq. 0.) then |
---|
| 1513 | lossch4 = 0. |
---|
| 1514 | else if (ef .gt. 20.) then |
---|
| 1515 | lossch4 = 1.113e-21*exp(1.6065*ef) |
---|
| 1516 | else if (ef .gt. 17.5) then |
---|
| 1517 | lossch4 = 1.e-15*exp(0.92103*ef) |
---|
| 1518 | else if (ef .gt. 14.) then |
---|
| 1519 | lossch4 = 1.e-13*exp(0.65788*ef) |
---|
| 1520 | else |
---|
| 1521 | lossch4 = 8.9238e-15*exp(0.835*ef) |
---|
| 1522 | end if |
---|
| 1523 | c |
---|
| 1524 | do l = 1,21 ! 70 km |
---|
| 1525 | t002(l) = lossch4 ! s-1 |
---|
| 1526 | end do |
---|
| 1527 | do l = 22,lswitch-1 |
---|
| 1528 | t002(l) = 0. |
---|
| 1529 | end do |
---|
| 1530 | c |
---|
| 1531 | ccc t003: co2 + e -> co + o- |
---|
| 1532 | c |
---|
| 1533 | c lossco2: fit of co/o- production rates |
---|
| 1534 | c given by delory et al., astrobiology, 6, 451, 2006 |
---|
| 1535 | c |
---|
| 1536 | if (ef .eq. 0.) then |
---|
| 1537 | lossco2 = 0. |
---|
| 1538 | else if (ef .lt. 10.) then |
---|
| 1539 | lossco2 = 22.437*exp(1.045*ef) |
---|
| 1540 | else if (ef .lt. 16.) then |
---|
| 1541 | lossco2 = 17518.*exp(0.37896*ef) |
---|
| 1542 | else if (ef .lt. 20.) then |
---|
| 1543 | lossco2 = 54.765*exp(0.73946*ef) |
---|
| 1544 | else |
---|
| 1545 | lossco2 = 4.911e-6*exp(1.5508*ef) |
---|
| 1546 | end if |
---|
| 1547 | c |
---|
| 1548 | c production rates are assumed to be given for p = 6 hPa |
---|
| 1549 | c lossco2 is converted to first-order reaction rate |
---|
| 1550 | c assuming co2 number density at the surface = 2e17 mol cm-3 |
---|
| 1551 | c |
---|
| 1552 | do l = 1,21 ! 70 km |
---|
| 1553 | t003(l) = lossco2/2.e17 ! s-1 |
---|
| 1554 | end do |
---|
| 1555 | do l = 22,lswitch-1 |
---|
| 1556 | t003(l) = 0. |
---|
| 1557 | end do |
---|
| 1558 | else |
---|
| 1559 | do l = 1,lswitch-1 |
---|
| 1560 | t001(l) = 0. |
---|
| 1561 | t002(l) = 0. |
---|
| 1562 | t003(l) = 0. |
---|
| 1563 | end do |
---|
| 1564 | end if |
---|
| 1565 | c |
---|
| 1566 | return |
---|
| 1567 | end |
---|