yaeos__models_ge_NRTL Module

Uses

Interfaces

public interface NRTL

public function init(a, b, c)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(in)			::	a(:,:)
real(kind=pr),	intent(in)			::	b(:,:)
real(kind=pr),	intent(in)			::	c(:,:)

Return Value type(NRTL)

Derived Types

type, public, extends(GeModel) :: NRTL

Non-Random-Two-Liquid model

Components

Type	Visibility	Attributes		Name		Initial
real(kind=pr),	public,	allocatable	::	a(:,:)			A_{ij} matrix
real(kind=pr),	public,	allocatable	::	b(:,:)			B_{ij} matrix
real(kind=pr),	public,	allocatable	::	c(:,:)			C_{ij} matrix
type(Substances),	public		::	components			Substances contained in the module

Constructor

public function init (a, b, c)

Type-Bound Procedures

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

Functions

public function init(a, b, c)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=pr),	intent(in)			::	a(:,:)
real(kind=pr),	intent(in)			::	b(:,:)
real(kind=pr),	intent(in)			::	c(:,:)

Return Value type(NRTL)

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(NRTL),	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))