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!
!-----------------------------------------------------------------------
!
!Purpose:
! module t_saltdata definition for the Fortran-2003 wrapper used to
! calculate Molten Salt thermophysical properties using data from the
! MSTPDB-TP Database
!
!Copyright:
! Copyright (C) 2023 Cristian Garrido Tamm
! This library is free software; you can redistribute it and/or
! modify it under the terms of the GNU Lesser General Public
! License as published by the Free Software Foundation; either
! version 2.1 of the License, or (at your option) any later version.
!
!Author(s): Cristian Garrido Tamm
!
!-----------------------------------------------------------------------
!
module t_saltdata
implicit none
type :: tpdata ! Salt thermophysical data structure
character(len=32) :: formula ! Chemical formula of the salt (e.g 'LiF-BeF2')
real :: weight ! Molecular weight
character(len=32) :: composition ! Salt composition (e.g 'Pure Salt' or '0.66-0.34')
real :: Tm ! Melting Temperature (K)
real :: Tb ! Boiling Temperature (K)
real :: rhoA ! A coefficient in density (g/cm3): A - BT(K)
real :: rhoB ! A coefficient in density (g/cm3): A - BT(K)
real :: zmu1A ! A coeff in Viscosity (mN*s/m2): A*exp(B/(R*T(K)))
real :: zmu1B ! B coeff in Viscosity (mN*s/m2): A*exp(B/(R*T(K)))
real :: zmu2A ! A coeff in Viscosity (mN*s/m2): 10^(A + B/T + C/T**2)
real :: zmu2B ! B coeff in Viscosity (mN*s/m2): 10^(A + B/T + C/T**2)
real :: zmu2C ! C coeff in Viscosity (mN*s/m2): 10^(A + B/T + C/T**2)
real :: zkA ! A coefficient in Thermal Conductivity (W/m K): A - B*T(K)
real :: zkB ! B coefficient in Thermal Conductivity (W/m K): A - B*T(K)
real :: cpA ! A coefficient in Heat Capacity (J/K mol) : A + B*T(K) + C*T-2(K) + D*T2(K)
real :: cpB ! B coefficient in Heat Capacity (J/K mol) : A + B*T(K) + C*T-2(K) + D*T2(K)
real :: cpC ! C coefficient in Heat Capacity (J/K mol) : A + B*T(K) + C*T-2(K) + D*T2(K)
real :: cpD ! D coefficient in Heat Capacity (J/K mol) : A + B*T(K) + C*T-2(K) + D*T2(K)
end type tpdata
contains
real function dens(self, t) result(res)
! Computes density (g/cm3) as A - B*T(K)
type(tpdata), intent(in) :: self
real, intent(in) :: t ! Temperature (K)
real, parameter :: f = 1000.0 ! g/cm3 to kg/m3
res = (self%rhoA - self%rhoB * t) * f
end function
real function visc(self, t) result(res)
! Computes Viscosity (mN*s/m2) as A*exp(B/(R*T(K))) or 10^(A + B/T + C/T**2)
type(tpdata), intent(in) :: self
real, intent(in) :: t ! Temperature (K)
real, parameter :: R = 8.314 ! J/K mol
real, parameter :: f = 1000.0 ! mN*s/m2 to kg/m2/s
real :: zmu1, zmu2
zmu1 = self%zmu1A*exp(self%zmu1B/(R*t))
zmu2 = 10**(self%zmu2A + self%zmu2B/t + self%zmu2C/T**2)
res = max(zmu1, zmu2)/1000
end function
real function cond(self, t) result(res)
! Computes Thermal Conductivity (W/m K) as A - B*T(K)
type(tpdata), intent(in) :: self
real, intent(in) :: t ! Temperature (K)
res = self%zkA - self%zkB * t
end function
real function cap(self, t) result(res)
! Computes Heat Capacity (J/K mol) as A + B*T(K) + C*T**-2(K) + D*T**2(K)
type(tpdata), intent(in) :: self
real, intent(in) :: t ! Temperature (K)
res = self%cpA + self%cpB * t + self%cpC * t**(-2) + self%cpD * t**2
res = res / self%weight * 1000 ! J/K/kg
end function
end module t_saltdata
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