#include atoms_red
#include RACM.spc
#include RACM.eqn

#include ../boxmox/wrapper
#include ../boxmox/setup

#LOOKATALL

#INLINE F90_GLOBAL

  ! global variables used by special rate constants of this mechanism

  ! air/water concentration (molecules/cm3)
  REAL(KIND=dp)      :: c_m, c_h2o
  ! relative humidity (not used)
  REAL(KIND=dp)      :: rh

#ENDINLINE

#INLINE F90_INIT

  ! 1E-03 * (1.0/28.97) * 6.022e23 * air density
  c_m    = 2.078702e+19 * 1.25

  ! 1E-03 * (1.0/18.02) * 6.022e23 * air density, then times kg(water)/kg(air)
  c_h2o  = 3.341842e+19 * 1.25 * 0.010

#ENDINLINE

#INLINE F90_RATES
REAL(KIND=dp) FUNCTION k45( TEMP, C_M )
    REAL(KIND=dp), INTENT(IN) :: temp, c_m
    REAL(KIND=dp) :: k0, k2, k3

   k0=2.4E-14_dp * EXP(460._dp/TEMP)
   k2=2.7E-17_dp * EXP(2199._dp/TEMP)
   k3=6.5E-34_dp * EXP(1335._dp/TEMP) * c_m

   k45=k0+k3/(1+k3/k2)

END FUNCTION k45

REAL(kind=dp) FUNCTION k57( TEMP, C_M )

    INTRINSIC LOG10

    REAL(KIND=dp), INTENT(IN) :: temp      ! temperature [K]
    REAL(KIND=dp), INTENT(IN) :: c_m       ! air concentration [molecules/cm3]
    REAL(KIND=dp) :: k0_300Kn   ! low pressure limit at 300 K
    REAL(KIND=dp) :: nn         ! exponent for low pressure limit
    REAL(KIND=dp) :: kinf_300Kn ! high pressure limit at 300 K
    REAL(KIND=dp) :: mn         ! exponent for high pressure limit
    REAL(KIND=dp) :: zt_help, k0_T, kinf_T, k_ratio
    REAL(KIND=dp) :: k57troe, k57cact

    k0_300Kn = 5.9e-33_dp
    nn = 1.4_dp
    kinf_300Kn = 1.1e-12_dp
    mn = -1.3_dp

    zt_help = 300._dp/temp
    k0_T    = k0_300Kn   * zt_help**(nn) * c_m ! k_0   at current T
    kinf_T  = kinf_300Kn * zt_help**(mn)       ! k_inf at current T
    k_ratio = k0_T/kinf_T
    k57troe   = k0_T/(1._dp+k_ratio)*0.6_dp**(1._dp/(1._dp+LOG10(k_ratio)**2))

    k0_300Kn = 1.5e-13_dp
    nn = -0.6_dp
    kinf_300Kn = 2.9e9_dp
    mn = -6.1_dp

    k0_T    = k0_300Kn   * zt_help**(nn)! k_0   at current T
    kinf_T  = kinf_300Kn * zt_help**(mn) / c_m ! k_inf at current T
    k_ratio = k0_T/kinf_T
    k57cact = k0_T/(1._dp+k_ratio)*0.6_dp**(1._dp/(1._dp+LOG10(k_ratio)**2))

    k57 = k57troe + k57cact

END FUNCTION k57

#ENDINLINE

