mus_eNRTL_module Module

This module contains an interface for external C++ code to compute liquid mixture property like thermodynamic factor and Maxwell-Stefan Diffusivity coefficients


Uses


Interfaces

public interface mus_calc_thermFactor

  • private subroutine mus_calc_thermFactor_single(nFields, temp, press, mole_frac, therm_factors)

    Dummy routine which sets thermodynamic factor matrix to diagonal matrix

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in) :: nFields

    number of fields in mixture
    real(kind=rk), intent(in) :: temp

    mixture temperature
    real(kind=rk), intent(in) :: press

    mixture pressure
    real(kind=rk), intent(in) :: mole_frac(nFields)

    mole fraction of all species of single element
    real(kind=rk), intent(out) :: therm_factors(nFields,nFields)

    thermodynamic factor matrix

public interface mus_calc_MS_DiffMatrix

  • private subroutine mus_calc_MS_DiffMatrix_single(nFields, temp, press, mole_dens, D_ij_out)

    Dummy routine which sets diffusivity coeff matrix to diagonal matrix

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in) :: nFields

    number of fields in mixture
    real(kind=rk), intent(in) :: temp

    mixture temperature
    real(kind=rk), intent(in) :: press

    mixture pressure
    real(kind=rk), intent(in) :: mole_dens(nFields)

    mole density of all species of single element
    real(kind=rk), intent(out) :: D_ij_out(nFields,nFields)

    thermodynamic factor matrix

Functions

public function mus_init_eNRTL(filename, nFields) result(success)

Dummy function to init_enrtl

Arguments

Type IntentOptional Attributes Name
character(kind=c_char, len=1), dimension(*) :: filename
integer, intent(out) :: nFields

Number of fields defined in the property file

Return Value logical

Result, indicating the status of encode


Subroutines

private subroutine mus_calc_thermFactor_single(nFields, temp, press, mole_frac, therm_factors)

Dummy routine which sets thermodynamic factor matrix to diagonal matrix

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nFields

number of fields in mixture
real(kind=rk), intent(in) :: temp

mixture temperature
real(kind=rk), intent(in) :: press

mixture pressure
real(kind=rk), intent(in) :: mole_frac(nFields)

mole fraction of all species of single element
real(kind=rk), intent(out) :: therm_factors(nFields,nFields)

thermodynamic factor matrix

private subroutine mus_calc_MS_DiffMatrix_single(nFields, temp, press, mole_dens, D_ij_out)

Dummy routine which sets diffusivity coeff matrix to diagonal matrix

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nFields

number of fields in mixture
real(kind=rk), intent(in) :: temp

mixture temperature
real(kind=rk), intent(in) :: press

mixture pressure
real(kind=rk), intent(in) :: mole_dens(nFields)

mole density of all species of single element
real(kind=rk), intent(out) :: D_ij_out(nFields,nFields)

thermodynamic factor matrix