| 1 | module pfunc |
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| 2 | implicit none |
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| 3 | |
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| 4 | contains |
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| 5 | |
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| 6 | !======================================================================= |
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| 7 | ! Reaction rate function |
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| 8 | ! |
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| 9 | ! version: April 2019 - Yassin Jaziri |
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| 10 | !======================================================================= |
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| 11 | |
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| 12 | |
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| 13 | function pfunc1(nlayer,t,dens,param) |
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| 14 | |
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| 15 | use types_asis |
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| 16 | |
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| 17 | implicit none |
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| 18 | |
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| 19 | ! input/output |
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| 20 | |
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| 21 | integer :: nlayer ! number of atmospheric layers |
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| 22 | real, dimension(nlayer) :: pfunc1 ! output values |
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| 23 | type(rtype1) :: param ! parameters |
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| 24 | real, dimension(nlayer) :: t ! temperature (K) |
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| 25 | real, dimension(nlayer) :: dens ! total number density (molecule.cm-3) |
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| 26 | |
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| 27 | |
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| 28 | pfunc1(:) = param%a*exp(-param%b/t(:))*((t(:)/param%t0)**param%c)*(dens(:)**param%d) |
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| 29 | |
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| 30 | return |
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| 31 | end function pfunc1 |
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| 32 | |
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| 33 | |
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| 34 | function pfunc2(nlayer,t,dens,param) |
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| 35 | |
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| 36 | use types_asis |
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| 37 | |
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| 38 | implicit none |
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| 39 | |
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| 40 | ! input/output |
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| 41 | |
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| 42 | integer :: nlayer ! number of atmospheric layers |
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| 43 | real, dimension(nlayer) :: pfunc2 ! output values |
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| 44 | type(rtype2) :: param ! parameters |
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| 45 | real, dimension(nlayer) :: t ! temperature (K) |
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| 46 | real, dimension(nlayer) :: dens ! total number density (molecule.cm-3) |
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| 47 | |
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| 48 | ! local |
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| 49 | |
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| 50 | real, dimension(nlayer) :: ak0, ak1, ak2, rate, xpo |
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| 51 | |
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| 52 | ak0(:) = param%k0*exp(-param%a/t(:))*((t(:)/param%t0)**param%n) |
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| 53 | ak1(:) = param%kinf*exp(-param%b/t(:))*((t(:)/param%t0)**param%m) |
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| 54 | ak2(:) = param%g*exp(-param%h/t(:)) |
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| 55 | rate(:) = (ak0(:)*dens(:)**param%dup)/(1. + ak0(:)*(dens(:)**param%ddown)/ak1(:)) |
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| 56 | xpo(:) = 1./(1. + alog10((ak0(:)*dens(:))/ak1(:))**2) |
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| 57 | |
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| 58 | pfunc2(:) = ak2(:) + rate(:)*(param%fc**xpo(:)) |
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| 59 | |
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| 60 | return |
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| 61 | end function pfunc2 |
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| 62 | |
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| 63 | function pfunc3(nlayer,t,dens,param) |
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| 64 | |
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| 65 | use types_asis |
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| 66 | |
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| 67 | implicit none |
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| 68 | |
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| 69 | ! input/output |
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| 70 | |
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| 71 | integer :: nlayer ! number of atmospheric layers |
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| 72 | real, dimension(nlayer) :: pfunc3 ! output values |
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| 73 | type(rtype3) :: param ! parameters |
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| 74 | real, dimension(nlayer) :: t ! temperature (K) |
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| 75 | real, dimension(nlayer) :: dens ! total number density (molecule.cm-3) |
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| 76 | |
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| 77 | ! local |
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| 78 | |
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| 79 | real, dimension(nlayer) :: ak0, ak1, rate, fc, c, N, d, xpo |
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| 80 | |
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| 81 | ak0(:) = param%k0*exp(-param%a/t(:))*((t(:)/param%t0)**param%n) |
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| 82 | ak1(:) = param%kinf*exp(-param%b/t(:))*((t(:)/param%t0)**param%m) |
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| 83 | rate(:) = (ak0(:)*dens(:)**param%dup)/(1. + ak0(:)*(dens(:)**param%ddown)/ak1(:)) |
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| 84 | fc(:) = (1-param%atroe)*exp(-t(:)/param%btroe) + param%atroe*exp(-t(:)/param%ctroe) + exp(-param%dtroe/t(:)) |
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| 85 | c(:) = -0.4-0.67*alog10(fc(:)) |
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| 86 | N(:) = 0.75-1.27*alog10(fc(:)) |
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| 87 | d(:) = 0.14 |
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| 88 | xpo(:) = 1./(1. + ( (alog10((ak0(:)*dens(:))/ak1(:))+c(:))/(N(:)-d(:)*(alog10((ak0(:)*dens(:))/ak1(:))+c(:))) )**2) |
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| 89 | |
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| 90 | pfunc3(:) = rate(:)*(fc(:)**xpo(:)) |
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| 91 | |
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| 92 | return |
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| 93 | end function pfunc3 |
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| 94 | |
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| 95 | end module pfunc |
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