yaeos__models_ge_nrtlhv Module

NRTL-HV model for excess Gibbs energy

Uses

Derived Types

type, public, extends(GeModel) :: NRTLHV

Huron-Vidal modification of the NRTL model for excess Gibbs energy.

Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public,	allocatable	::	alpha(:,:)			$\alpha$ matrix
real(kind=pr),	public,	allocatable	::	b(:)			Covolume parameter
type(Substances),	public		::	components			Substances contained in the module
real(kind=pr),	public,	allocatable	::	gij(:,:)			$g_{ij}$ matrix

Type-Bound Procedures

procedure, public :: excess_enthalpy
procedure, public :: excess_entropy
procedure, public :: excess_gibbs
procedure, public :: ln_activity_coefficient

Subroutines

public subroutine excess_gibbs(self, n, T, Ge, GeT, GeT2, Gen, GeTn, Gen2)

Calculate Excess Gibbs and its derivatives.

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTLHV),	intent(in)			::	self	Model
real(kind=pr),	intent(in)			::	n(:)	Moles vector
real(kind=pr),	intent(in)			::	T	Temperature [K]
real(kind=pr),	intent(out),	optional		::	Ge	Excess Gibbs free energy
real(kind=pr),	intent(out),	optional		::	GeT	$\frac{dG^E}{dT}$
real(kind=pr),	intent(out),	optional		::	GeT2	$\frac{d^2G^E}{dT^2}$
real(kind=pr),	intent(out),	optional		::	Gen(size(n))	$\frac{dG^E}{dn}$
real(kind=pr),	intent(out),	optional		::	GeTn(size(n))
real(kind=pr),	intent(out),	optional		::	Gen2(size(n),size(n))