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(GeModelTapenade) :: 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_gibbs
procedure, public :: ge => EXCESS_GIBBS
procedure, public :: ge_b => EXCESS_GIBBS_B
procedure, public :: ge_d => EXCESS_GIBBS_D
procedure, public :: ge_d_b => EXCESS_GIBBS_D_B
procedure, public :: ge_d_d => EXCESS_GIBBS_D_D
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(model, n, t, ge)

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTL)				::	model
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr),	intent(out)			::	ge

public subroutine EXCESS_GIBBS_B(model, n, nb, t, tb, ge, geb)

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTL)				::	model
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr)				::	nb(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr)				::	tb
real(kind=pr)				::	ge
real(kind=pr)				::	geb

public subroutine EXCESS_GIBBS_D(model, n, nd, t, td, ge, ged)

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTL)				::	model
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	nd(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr),	intent(in)			::	td
real(kind=pr),	intent(out)			::	ge
real(kind=pr),	intent(out)			::	ged

public subroutine EXCESS_GIBBS_D_B(model, n, nb, nd, ndb, t, tb, td, tdb, ge, geb, ged, gedb)

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTL)				::	model
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr)				::	nb(:)
real(kind=pr),	intent(in)			::	nd(:)
real(kind=pr)				::	ndb(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr)				::	tb
real(kind=pr),	intent(in)			::	td
real(kind=pr)				::	tdb
real(kind=pr)				::	ge
real(kind=pr)				::	geb
real(kind=pr)				::	ged
real(kind=pr)				::	gedb

public subroutine EXCESS_GIBBS_D_D(model, n, nd, t, td0, td, ge, ged0, ged, gedd)

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTL)				::	model
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	nd(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr),	intent(in)			::	td0
real(kind=pr),	intent(in)			::	td
real(kind=pr),	intent(out)			::	ge
real(kind=pr),	intent(out)			::	ged0
real(kind=pr),	intent(out)			::	ged
real(kind=pr),	intent(out)			::	gedd

public subroutine EXCESS_GIBBS_D_D_D(model, n, nd, t, td1, td0, td, ge, ged1, ged0, ged0d, ged, gedd0, gedd, geddd)

Arguments

Type	Intent	Optional	Attributes		Name
class(NRTL)				::	model
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	nd(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr),	intent(in)			::	td1
real(kind=pr),	intent(in)			::	td0
real(kind=pr),	intent(in)			::	td
real(kind=pr),	intent(out)			::	ge
real(kind=pr),	intent(out)			::	ged1
real(kind=pr),	intent(out)			::	ged0
real(kind=pr),	intent(out)			::	ged0d
real(kind=pr),	intent(out)			::	ged
real(kind=pr),	intent(out)			::	gedd0
real(kind=pr),	intent(out)			::	gedd
real(kind=pr),	intent(out)			::	geddd