105 lines
1.8 KiB
Fortran
105 lines
1.8 KiB
Fortran
module m_chemistry
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use m_parameters
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implicit none
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real, private :: coef(10)
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real, private :: lambda_onestep
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contains
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subroutine init_chemistry
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if ( reaction_type == "onestep" ) then
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lambda_onestep = pre * exp ( - beta / hrp )
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else if ( reaction_type == "twostep" ) then
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else
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stop
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end if
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end subroutine init_chemistry
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real function rate_1step (yr, theta)
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real, intent(in) :: yr
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real, intent(in) :: theta
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real :: y
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real :: t_reduce
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y=yr
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! if(yr.lt.0.) y=0.
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! if(yr.gt.1.) y=1.
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t_reduce=theta
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! if(theta.lt.0.) t_reduce=0.
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! if(theta.gt.1.) t_reduce=1.
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if (t_reduce.gt.c_ref) then
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rate_1step = pre*y*exp(-ac/(1.+bc*t_reduce))
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else if (t_reduce.le.c_cut) then
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rate_1step = min_wr
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else
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rate_1step = &
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((refwr-min_wr)*exp(prof_wr*(t_reduce-c_ref)) + min_wr - refwr*exp(prof_wr*(c_cut-c_ref))) &
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/ (1.-exp(prof_wr*(c_cut-c_ref)))
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endif
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end function rate_1step
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real function rate1_2step (ya, yx, theta)
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real, intent(in) :: ya
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real, intent(in) :: yx
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real, intent(in) :: theta
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real :: y1
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real :: y2
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real :: t_reduce
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y1=ya
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if(ya.lt.0.) y1=0.
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if(ya.gt.1.) y1=1.
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y2=yx
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if(yx.lt.0.) y2=0.
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if(yx.gt.1.) y2=1.
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t_reduce=theta
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if(theta.lt.0.) t_reduce=0.
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if(theta.gt.1.) t_reduce=1.
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rate1_2step = lambda1 * y1 * y2 * &
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exp (-(beta1*(1. - t_reduce))/(1. - hrp*(1. - t_reduce)))
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end function rate1_2step
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real function rate2_2step (yx, theta)
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real, intent(in) :: yx
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real, intent(in) :: theta
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real :: y
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real :: t_reduce
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y=yx
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if(yx.lt.0.) y=0.
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if(yx.gt.1.) y=1.
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t_reduce=theta
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if(theta.lt.0.) t_reduce=0.
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if(theta.gt.1.) t_reduce=1.
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rate2_2step = lambda2 * yx * yx
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end function rate2_2step
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end module m_chemistry
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