GeModelTapenade Derived Type

type, public, abstract, extends(GeModel) :: GeModelTapenade

Components

Type	Visibility	Attributes		Name		Initial
type(Substances),	public		::	components			Substances contained in the module

Type-Bound Procedures

procedure, public :: excess_enthalpy

public subroutine excess_enthalpy(self, n, T, He, HeT, Hen)

Calculate Excess enthalpy and its derivatives.

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModel),	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		::	He	Excess enthalpy
real(kind=pr),	intent(out),	optional		::	HeT	$\frac{dH^E}{dT}$
real(kind=pr),	intent(out),	optional		::	Hen(:)	$\frac{dH^E}{dn}$

procedure, public :: excess_entropy

public subroutine excess_entropy(self, n, T, Se, SeT, Sen)

Calculate Excess entropy and its derivatives.

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModel),	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		::	Se	Excess entropy
real(kind=pr),	intent(out),	optional		::	SeT	$\frac{dS^E}{dT}$
real(kind=pr),	intent(out),	optional		::	Sen(:)	$\frac{dS^E}{dn}$

procedure, public :: excess_gibbs

private subroutine excess_gibbs(self, n, t, Ge, GeT, GeT2, Gen, GeTn, Gen2)

Excess Gibbs model generic interface

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModelTapenade),	intent(in)			::	self
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	t
real(kind=pr),	intent(out),	optional		::	Ge
real(kind=pr),	intent(out),	optional		::	GeT
real(kind=pr),	intent(out),	optional		::	GeT2
real(kind=pr),	intent(out),	optional,	dimension(size(n))	::	Gen
real(kind=pr),	intent(out),	optional,	dimension(size(n))	::	GeTn
real(kind=pr),	intent(out),	optional		::	Gen2(size(n),size(n))

procedure(tapenade_ge), public, deferred :: ge

subroutine tapenade_ge(model, n, t, ge) Prototype

Arguments

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

procedure(tapenade_ge_b), public, deferred :: ge_b

subroutine tapenade_ge_b(model, n, nb, t, tb, ge, geb) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModelTapenade)				::	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

procedure(tapenade_ge_d), public, deferred :: ge_d

subroutine tapenade_ge_d(model, n, nd, t, td, ge, ged) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModelTapenade)				::	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

procedure(tapenade_ge_d_b), public, deferred :: ge_d_b

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

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModelTapenade)				::	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

procedure(tapenade_ge_d_d), public, deferred :: ge_d_d

subroutine tapenade_ge_d_d(model, n, nd, t, td0, td, ge, ged0, ged, gedd) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModelTapenade)				::	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

procedure, public :: ln_activity_coefficient

public subroutine ln_activity_coefficient(self, n, T, lngamma, dlngammadT, dlngammadn)

Calculate natural logarithm of activity coefficients.

Arguments

Type	Intent	Optional	Attributes		Name
class(GeModel),	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		::	lngamma(:)	Natural logarithm of activity coefficients
real(kind=pr),	intent(out),	optional		::	dlngammadT(size(n))	$\frac{d\ln \gamma_i}{dT}$
real(kind=pr),	intent(out),	optional		::	dlngammadn(size(n),size(n))	$\frac{d\ln \gamma_i}{dn_j}$