wrfv2_fire/chem/KPP/kpp/kpp-2.1/util/WRF_conform/WRFUserRateLaws.f90

   1 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   2 !  User-defined Rate Law functions
   3
   4 ! !! FROM chem/KPP/kpp/kpp-2.1/util/WRFconform/WRFUserRateLaws !!!!
   5 !
   6 !  Note: the default argument type for rate laws, as read from the equations file, is single precision
   7 !        but all the internal calculations are performed in double precision
   8 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   9
  10 ! Arrhenius (added by psaide 15-07-2009)
  11     KPP_REAL FUNCTION ARR( A0,B0,C0, TEMP )
  12       KPP_REAL :: TEMP
  13       KPP_REAL A0,B0,C0
  14       ARR =  A0 * EXP( -B0 /TEMP ) * (TEMP/300._dp)**C0
  15     END FUNCTION ARR
  16
  17 !~~~> Simplified Arrhenius, with two arguments
  18    KPP_REAL FUNCTION ARR2( A0,B0, TEMP )
  19       KPP_REAL :: TEMP
  20       KPP_REAL A0,B0
  21       ARR2 = A0 * EXP( -B0 /TEMP )
  22    END FUNCTION ARR2
  23
  24 ! EP2 (added by psaide 22-07-2009)
  25    KPP_REAL FUNCTION EP2( A0,C0,A2,C2,A3,C3,TEMP,cair)
  26       KPP_REAL :: TEMP
  27       KPP_REAL :: cair
  28       KPP_REAL A0,C0,A2,C2,A3,C3
  29       KPP_REAL K0,K2,K3
  30
  31       K0 = A0 * EXP(-C0 /TEMP)
  32       K2 = A2 * EXP(-C2 /TEMP)
  33       K3 = A3 * EXP(-C3 /TEMP)
  34 !      K3 = K3 * 2.45E13_dp * 1.0E6_dp
  35       K3 = K3 * cair
  36       EP2 = K0 + K3/(1._dp+K3/K2 )
  37    END FUNCTION EP2
  38
  39 ! EP3 (added by psaide 15-07-2009)
  40     KPP_REAL FUNCTION EP3(A1,C1,A2,C2,TEMP,cair)
  41       KPP_REAL :: TEMP
  42       KPP_REAL :: cair
  43       KPP_REAL A1, C1, A2, C2
  44       KPP_REAL K1, K2
  45
  46       K1 = A1 * EXP(-C1 /TEMP)
  47       K2 = A2 * EXP(-C2 /TEMP)
  48 !      EP3 = K1 + K2*(1.0E6_dp * 2.45E13_dp)
  49       EP3 = K1 + K2*cair
  50     END FUNCTION EP3
  51
  52 ! FALL (added by psaide 15-07-2009)
  53     KPP_REAL FUNCTION FALL( A0,B0,C0,A1,B1,C1,CF,TEMP,cair)
  54
  55       INTRINSIC LOG10
  56
  57       KPP_REAL :: TEMP
  58       KPP_REAL :: cair
  59       KPP_REAL A0,B0,C0,A1,B1,C1,CF
  60       KPP_REAL K0, K1
  61
  62       K0 = A0 * EXP(-B0 /TEMP)* (TEMP/300._dp)**C0
  63       K1 = A1 * EXP(-B1 /TEMP)* (TEMP/300._dp)**C1
  64 !      K0 = K0 * 2.45E13_dp * 1.0E6_dp
  65       K0 = K0 * cair
  66       K1 = K0/K1
  67       FALL = (K0/(1._dp+K1))*CF**(1._dp/(1._dp+(LOG10(K1))**2))
  68
  69     END FUNCTION FALL
  70
  71 ! FALL2 (added by psaide 28-10-2009)
  72     KPP_REAL FUNCTION F2( A0,B0,C0,A1,B1,C1,CF,CN,TEMP,cair)
  73
  74       INTRINSIC LOG10
  75
  76       KPP_REAL :: TEMP
  77       KPP_REAL :: cair
  78       KPP_REAL A0,B0,C0,A1,B1,C1,CF,CN
  79       KPP_REAL K0, K1
  80
  81       K0 = A0 * EXP(-B0 /TEMP)* (TEMP/300._dp)**C0
  82       K1 = A1 * EXP(-B1 /TEMP)* (TEMP/300._dp)**C1
  83 !      K0 = K0 * 2.45E13_dp * 1.0E6_dp
  84       K0 = K0 * cair
  85       K1 = K0/K1
  86       F2 = (K0/(1._dp+K1))*CF**(1._dp/(1._dp+(LOG10(K1)/CN)**2))
  87
  88     END FUNCTION F2
  89
  90 !------------------------------------
  91 ! Troe reactions (as in Stockwell et al, 1997)
  92
  93     KPP_REAL FUNCTION TROE(k0_300K,n,kinf_300K,m,temp,cair)
  94
  95     INTRINSIC LOG10
  96
  97     KPP_REAL, INTENT(IN) :: temp      ! temperature [K]
  98     KPP_REAL, INTENT(IN) :: cair      ! air concentration [molecules/cm3]
  99     KPP_REAL,          INTENT(IN) :: k0_300K   ! low pressure limit at 300 K
 100     KPP_REAL,          INTENT(IN) :: n         ! exponent for low pressure limit
 101     KPP_REAL,          INTENT(IN) :: kinf_300K ! high pressure limit at 300 K
 102     KPP_REAL,          INTENT(IN) :: m         ! exponent for high pressure limit
 103     KPP_REAL             :: zt_help, k0_T, kinf_T, k_ratio
 104
 105     zt_help = 300._dp/temp
 106     k0_T    = k0_300K   * zt_help**(n) * cair ! k_0   at current T
 107     kinf_T  = kinf_300K * zt_help**(m)        ! k_inf at current T
 108     k_ratio = k0_T/kinf_T
 109     TROE   = k0_T/(1._dp+k_ratio)*0.6_dp**(1._dp/(1._dp+LOG10(k_ratio)**2))
 110
 111    END FUNCTION TROE
 112
 113
 114
 115 !-------------------------------------------
 116 ! Troe equilibrium reactions (as in Stockwell et al, 1997)
 117
 118     KPP_REAL FUNCTION TROEE(A, B, k0_300K,n,kinf_300K,m,temp,cair)
 119
 120     INTRINSIC LOG10
 121
 122     KPP_REAL, INTENT(IN) :: temp      ! temperature [K]
 123     KPP_REAL, INTENT(IN) :: cair      ! air concentration [molecules/cm3]
 124     KPP_REAL,     INTENT(IN) :: k0_300K   ! low pressure limit at 300 K
 125     KPP_REAL,     INTENT(IN) :: n         ! exponent for low pressure limit
 126     KPP_REAL,     INTENT(IN) :: kinf_300K ! high pressure limit at 300 K
 127     KPP_REAL,     INTENT(IN) :: m         ! exponent for high pressure limit
 128     KPP_REAL,     INTENT(IN) :: A, B
 129     KPP_REAL             :: zt_help, k0_T, kinf_T, k_ratio, troe
 130
 131
 132     zt_help = 300._dp/temp
 133     k0_T    = k0_300K   * zt_help**(n) * cair ! k_0   at current T
 134     kinf_T  = kinf_300K * zt_help**(m)        ! k_inf at current T
 135     k_ratio = k0_T/kinf_T
 136     troe   = k0_T/(1._dp+k_ratio)*0.6_dp**(1._dp/(1._dp+LOG10(k_ratio)**2))
 137
 138     TROEE = A * EXP( - B / temp) * troe
 139
 140
 141
 142   END FUNCTION TROEE
 143
 144 !------------------------
 145 ! k=T^2 C exp (-D/T) reactions
 146
 147    KPP_REAL FUNCTION THERMAL_T2(c, d ,temp)
 148     KPP_REAL, INTENT(IN) :: temp      ! temperature [K]
 149     KPP_REAL,     INTENT(IN) :: c, d
 150
 151
 152      THERMAL_T2= temp**2._dp * c * EXP(- d  / temp)
 153
 154    END FUNCTION THERMAL_T2
 155
 156 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 157 !  End of User-defined Rate Law functions
 158 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~