ArModelAdiff – yaeos

type, public, abstract, extends(ArModel) :: ArModelAdiff

Components

Type	Visibility	Attributes		Name		Initial
type(Substances),	public		::	components			Substances contained in the module
character(len=:),	public,	allocatable	::	name			Name of the model

Type-Bound Procedures

procedure(hyperdual_Ar), public, deferred :: Ar

function hyperdual_Ar(self, n, v, t) Prototype

Arguments

Type	Intent		Name
class(ArModelAdiff)		::	self
type(hyperdual),	intent(in)	::	n(:)
type(hyperdual),	intent(in)	::	v
type(hyperdual),	intent(in)	::	t

Return Value type(hyperdual)

procedure, public :: Cp_residual_vt

public subroutine Cp_residual_vt(eos, n, V, T, Cp)

Calculate residual heat capacity pressure constant given v and t.

Arguments

Type	Intent		Name
class(ArModel),	intent(in)	::	eos	Model
real(kind=pr),	intent(in)	::	n(:)	Moles number vector
real(kind=pr),	intent(in)	::	V	Volume [L]
real(kind=pr),	intent(in)	::	T	Temperature [K]
real(kind=pr),	intent(out)	::	Cp	heat capacity p constant [bar L / K]

procedure, public :: Cv_residual_vt

public subroutine Cv_residual_vt(eos, n, V, T, Cv)

Calculate residual heat capacity volume constant given v and t.

Arguments

Type	Intent		Name
class(ArModel),	intent(in)	::	eos	Model
real(kind=pr),	intent(in)	::	n(:)	Moles number vector
real(kind=pr),	intent(in)	::	V	Volume [L]
real(kind=pr),	intent(in)	::	T	Temperature [K]
real(kind=pr),	intent(out)	::	Cv	heat capacity v constant [bar L / K]

procedure, public :: enthalpy_residual_vt

public subroutine enthalpy_residual_vt(eos, n, v, t, Hr, HrT, HrV, Hrn)

Calculate residual enthalpy given volume and temperature.

Arguments

Type	Intent	Optional		Name
class(ArModel),	intent(in)		::	eos	Model
real(kind=pr),	intent(in)		::	n(:)	Moles number vector
real(kind=pr),	intent(in)		::	v	Volume [L]
real(kind=pr),	intent(in)		::	t	Temperature [K]
real(kind=pr),	intent(out)		::	Hr	Residual enthalpy [bar L]
real(kind=pr),	intent(out),	optional	::	HrT	$\frac{dH^r}}{dT}$
real(kind=pr),	intent(out),	optional	::	HrV	$\frac{dH^r}}{dV}$
real(kind=pr),	intent(out),	optional	::	Hrn(size(n))	$\frac{dH^r}}{dn}$

procedure, public :: entropy_residual_vt

public subroutine entropy_residual_vt(eos, n, V, T, Sr, SrT, SrV, Srn)

Calculate residual entropy given volume and temperature.

Arguments

Type	Intent	Optional		Name
class(ArModel),	intent(in)		::	eos	Model
real(kind=pr),	intent(in)		::	n(:)	Moles number vector
real(kind=pr),	intent(in)		::	V	Volume [L]
real(kind=pr),	intent(in)		::	T	Temperature [K]
real(kind=pr),	intent(out)		::	Sr	Entropy [bar L / K]
real(kind=pr),	intent(out),	optional	::	SrT	$\frac{dS^r}}{dT}$
real(kind=pr),	intent(out),	optional	::	SrV	$\frac{dS^r}}{dV}$
real(kind=pr),	intent(out),	optional	::	Srn(size(n))	$\frac{dS^r}}{dn}$

procedure(abs_volume_initializer), public, deferred :: get_v0

function abs_volume_initializer(self, n, p, t) Prototype

Function that provides an initializer value for the liquid-root of newton solver of volume. In the case the model will use the volume_michelsen routine this value should provide the co-volume of the model.

Arguments

Type	Intent		Name
class(ArModel),	intent(in)	::	self	Ar Model
real(kind=pr),	intent(in)	::	n(:)	Moles vector
real(kind=pr),	intent(in)	::	p	Pressure [bar]
real(kind=pr),	intent(in)	::	t	Temperature [K]

Return Value real(kind=pr)

Initial volume [L]

procedure, public :: gibbs_residual_vt => gibbs_residual_VT

public subroutine gibbs_residual_VT(eos, n, V, T, Gr, GrT, GrV, Grn)

Calculate residual Gibbs energy given volume and temperature.

Arguments

Type	Intent	Optional		Name
class(ArModel),	intent(in)		::	eos	Model
real(kind=pr),	intent(in)		::	n(:)	Moles number vector
real(kind=pr),	intent(in)		::	V	Volume [L]
real(kind=pr),	intent(in)		::	T	Temperature [K]
real(kind=pr),	intent(out)		::	Gr	Gibbs energy [bar L]
real(kind=pr),	intent(out),	optional	::	GrT	$\frac{dG^r}}{dT}$
real(kind=pr),	intent(out),	optional	::	GrV	$\frac{dG^r}}{dV}$
real(kind=pr),	intent(out),	optional	::	Grn(size(n))	$\frac{dG^r}}{dn}$

procedure, public :: lnphi_pt => fugacity_pt

public subroutine fugacity_pt(eos, n, P, T, V, root_type, lnPhi, dlnPhidP, dlnPhidT, dlnPhidn, dPdV, dPdT, dPdn)

Calculate logarithm of fugacity, given pressure and temperature.

Arguments

Type	Intent	Optional		Name
class(ArModel),	intent(in)		::	eos	Model
real(kind=pr),	intent(in)		::	n(:)	Mixture mole numbers
real(kind=pr),	intent(in)		::	P	Pressure [bar]
real(kind=pr),	intent(in)		::	T	Temperature [K]
real(kind=pr),	intent(out),	optional	::	V	Volume [L]
character(len=*),	intent(in)		::	root_type	Type of root desired [“liquid”, “vapor”, “stable”]
real(kind=pr),	intent(out),	optional	::	lnPhi(size(n))	$\ln(phi)$ vector
real(kind=pr),	intent(out),	optional	::	dlnPhidP(size(n))	ln(phi) Presssure derivative
real(kind=pr),	intent(out),	optional	::	dlnPhidT(size(n))	ln(phi) Temp derivative
real(kind=pr),	intent(out),	optional	::	dlnPhidn(size(n),size(n))	ln(phi) compositional derivative
real(kind=pr),	intent(out),	optional	::	dPdV	$\frac{dP}{dV}$
real(kind=pr),	intent(out),	optional	::	dPdT	$\frac{dP}{dT}$
real(kind=pr),	intent(out),	optional	::	dPdn(size(n))	$\frac{dP}{dn_i}$

procedure, public :: lnphi_vt => fugacity_vt

public subroutine fugacity_vt(eos, n, V, T, P, lnPhi, dlnPhidP, dlnPhidT, dlnPhidn, dPdV, dPdT, dPdn)

Calculate fugacity coefficent given volume and temperature.

Arguments

Type	Intent	Optional		Name
class(ArModel)			::	eos	Model
real(kind=pr),	intent(in)		::	n(:)	Mixture mole numbers
real(kind=pr),	intent(in)		::	V	Volume [L]
real(kind=pr),	intent(in)		::	T	Temperature [K]
real(kind=pr),	intent(out),	optional	::	P	Pressure [bar]
real(kind=pr),	intent(out),	optional	::	lnPhi(size(n))	$\ln(\phi_i*P)$ vector
real(kind=pr),	intent(out),	optional	::	dlnPhidP(size(n))	$ln(phi_i)$ Presssure derivative
real(kind=pr),	intent(out),	optional	::	dlnPhidT(size(n))	$ln(phi_i)$ Temp derivative
real(kind=pr),	intent(out),	optional	::	dlnPhidn(size(n),size(n))	$ln(phi_i)$ compositional derivative
real(kind=pr),	intent(out),	optional	::	dPdV	$\frac{dP}{dV}$
real(kind=pr),	intent(out),	optional	::	dPdT	$\frac{dP}{dT}$
real(kind=pr),	intent(out),	optional	::	dPdn(:)	$\frac{dP}{dn_i}$

procedure, public :: pressure

public subroutine pressure(eos, n, v, t, p, dPdV, dPdT, dPdn)

Pressure calculation.

Arguments

Type	Intent	Optional		Name
class(ArModel),	intent(in)		::	eos	Model
real(kind=pr),	intent(in)		::	n(:)	Moles number vector
real(kind=pr),	intent(in)		::	v	Volume [L]
real(kind=pr),	intent(in)		::	t	Temperature [K]
real(kind=pr),	intent(out)		::	p	Pressure [bar]
real(kind=pr),	intent(out),	optional	::	dPdV	$\frac{dP}}{dV}$
real(kind=pr),	intent(out),	optional	::	dPdT	$\frac{dP}}{dT}$
real(kind=pr),	intent(out),	optional	::	dPdn(:)	$\frac{dP}}{dn_i}$

procedure, public :: residual_helmholtz

public subroutine residual_helmholtz(self, n, v, t, Ar, ArV, ArT, ArTV, ArV2, ArT2, Arn, ArVn, ArTn, Arn2)

Arguments

Type	Intent	Optional	Attributes		Name
class(ArModelAdiff),	intent(in)			::	self
real(kind=pr),	intent(in)			::	n(:)
real(kind=pr),	intent(in)			::	v
real(kind=pr),	intent(in)			::	t
real(kind=pr),	intent(out),	optional		::	Ar
real(kind=pr),	intent(out),	optional		::	ArV
real(kind=pr),	intent(out),	optional		::	ArT
real(kind=pr),	intent(out),	optional		::	ArTV
real(kind=pr),	intent(out),	optional		::	ArV2
real(kind=pr),	intent(out),	optional		::	ArT2
real(kind=pr),	intent(out),	optional,	dimension(size(n))	::	Arn
real(kind=pr),	intent(out),	optional,	dimension(size(n))	::	ArVn
real(kind=pr),	intent(out),	optional,	dimension(size(n))	::	ArTn
real(kind=pr),	intent(out),	optional		::	Arn2(size(n),size(n))

procedure, public :: volume

public subroutine volume(eos, n, P, T, V, root_type)

Solves volume roots using newton method. Given pressure and temperature.

Arguments

Type	Intent		Name
class(ArModel),	intent(in)	::	eos
real(kind=pr),	intent(in)	::	n(:)	Moles number vector
real(kind=pr),	intent(in)	::	P	Pressure [bar]
real(kind=pr),	intent(in)	::	T	Temperature [K]
real(kind=pr),	intent(out)	::	V	Volume [L]
character(len=*),	intent(in)	::	root_type	Desired root-type to solve. Options are: `["liquid", "vapor", "stable"]`

ArModelAdiff Derived Type

Contents

Variables

Type-Bound Procedures

type, public, abstract, extends(ArModel) :: ArModelAdiff

Components

Type-Bound Procedures

procedure(hyperdual_Ar), public, deferred :: Ar

function hyperdual_Ar(self, n, v, t) Prototype

Arguments

Return Value type(hyperdual)

procedure, public :: Cp_residual_vt

public subroutine Cp_residual_vt(eos, n, V, T, Cp)

Arguments

procedure, public :: Cv_residual_vt

public subroutine Cv_residual_vt(eos, n, V, T, Cv)

Arguments

procedure, public :: enthalpy_residual_vt

public subroutine enthalpy_residual_vt(eos, n, v, t, Hr, HrT, HrV, Hrn)

Arguments

procedure, public :: entropy_residual_vt

public subroutine entropy_residual_vt(eos, n, V, T, Sr, SrT, SrV, Srn)

Arguments

procedure(abs_volume_initializer), public, deferred :: get_v0

function abs_volume_initializer(self, n, p, t) Prototype

Arguments

Return Value real(kind=pr)

procedure, public :: gibbs_residual_vt => gibbs_residual_VT

public subroutine gibbs_residual_VT(eos, n, V, T, Gr, GrT, GrV, Grn)

Arguments

procedure, public :: lnphi_pt => fugacity_pt

public subroutine fugacity_pt(eos, n, P, T, V, root_type, lnPhi, dlnPhidP, dlnPhidT, dlnPhidn, dPdV, dPdT, dPdn)

Arguments

procedure, public :: lnphi_vt => fugacity_vt

public subroutine fugacity_vt(eos, n, V, T, P, lnPhi, dlnPhidP, dlnPhidT, dlnPhidn, dPdV, dPdT, dPdn)

Arguments

procedure, public :: pressure

public subroutine pressure(eos, n, v, t, p, dPdV, dPdT, dPdn)

Arguments

procedure, public :: residual_helmholtz

public subroutine residual_helmholtz(self, n, v, t, Ar, ArV, ArT, ArTV, ArV2, ArT2, Arn, ArVn, ArTn, Arn2)

Arguments

procedure, public :: volume

public subroutine volume(eos, n, P, T, V, root_type)

Arguments