Ge_combinatorial Subroutine

public subroutine Ge_combinatorial(self, n, T, Ge, dGe_dn, dGe_dn2)

UNIFAC combinatorial term

Calculate the UNIFAC combinatorial term of Gibbs excess energy

Description

Calculate the UNIFAC combinatorial term of reduced Gibbs excess energy. The subroutine uses the Flory-Huggins and Staverman-Guggenheim.

References

SINTEF - Thermopack

Type Bound

Arguments

Type	Intent	Optional	Attributes		Name
class(UNIFAC)				::	self
real(kind=pr),	intent(in)			::	n(self%nmolecules)	Moles vector [mol]
real(kind=pr),	intent(in)			::	T	Temperature [K]
real(kind=pr),	intent(out),	optional		::	Ge	Combinatorial Gibbs excess energy
real(kind=pr),	intent(out),	optional		::	dGe_dn(self%nmolecules)	$\frac{dGe}{dn}$
real(kind=pr),	intent(out),	optional		::	dGe_dn2(self%nmolecules,self%nmolecules)	$\frac{d^2Ge}{dn^2}$

Variables

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public		::	Ge_fh
real(kind=pr),	public		::	Ge_sg
real(kind=pr),	public		::	dGe_fh_dn(self%nmolecules)
real(kind=pr),	public		::	dGe_fh_dn2(self%nmolecules,self%nmolecules)
real(kind=pr),	public		::	dGe_sg_dn(self%nmolecules)
real(kind=pr),	public		::	dGe_sg_dn2(self%nmolecules,self%nmolecules)
integer,	public		::	i
integer,	public		::	j
real(kind=pr),	public		::	n_t
real(kind=pr),	public		::	nq
real(kind=pr),	public		::	nr
real(kind=pr),	public		::	nrp