Implements the Peng-Robinson equation of state for liquids and gases. More...

#include <dumux/material/eos/pengrobinson.hh>

Description

template<class Scalar>
class Dumux::PengRobinson< Scalar >

Implements the Peng-Robinson equation of state for liquids and gases.

See:

D.-Y. Peng, D.B. Robinson (1976, pp. 59–64) [57]

R. Reid, et al. (1987, pp. 42-44, 82) [61]

Static Public Member Functions
static void	init (Scalar aMin, Scalar aMax, int na, Scalar bMin, Scalar bMax, int nb)

template<class Params >
static Scalar	computeVaporPressure (const Params &params, Scalar T)
	Predicts the vapor pressure \(\mathrm{[Pa]}\) for the temperature given in setTP(). More...

template<class FluidState , class Params >
static Scalar	computeMolarVolume (const FluidState &fs, Params &params, int phaseIdx, bool isGasPhase, bool handleUnphysicalPhase=true)
	Computes molar volumes \(\mathrm{[m^3 / mol]}\) where the Peng-Robinson EOS is true. More...

template<class Params >
static Scalar	criticalTemperature (const Params &params)
	Returns the critical temperature for a given mix. More...

template<class Params >
static Scalar	computeFugacityCoeffient (const Params &params)
	Returns the fugacity coefficient \(\mathrm{[-]}\) for a given pressure and molar volume. More...

template<class Params >
static Scalar	computeFugacity (const Params &params)
	Returns the fugacity coefficient \(\mathrm{[-]}\) for a given pressure and molar volume. More...

Static Protected Member Functions
template<class FluidState , class Params >
static Scalar	handleSingleRoot_ (Scalar Vm, const FluidState &fs, const Params &params, int phaseIdx, bool isGasPhase)

template<class FluidState , class Params >
static Scalar	handleCriticalFluid_ (Scalar Vm, const FluidState &fs, const Params &params, int phaseIdx, bool isGasPhase)

static void	findCriticalPoint_ (Scalar &Tcrit, Scalar &pcrit, Scalar &Vcrit, Scalar a, Scalar b)

static bool	findExtrema_ (Scalar &Vmin, Scalar &Vmax, Scalar &pMin, Scalar &pMax, Scalar a, Scalar b, Scalar T)

template<class Params >
static Scalar	ambroseWalton_ (const Params &params, Scalar T)
	The Ambrose-Walton method to estimate the vapor pressure. More...

template<class Params >
static Scalar	fugacityDifference_ (const Params &params, Scalar T, Scalar p, Scalar VmLiquid, Scalar VmGas)
	Returns the difference between the liquid and the gas phase fugacities in [bar]. More...

Static Protected Attributes
static Tabulated2DFunction< Scalar >	criticalTemperature_

static Tabulated2DFunction< Scalar >	criticalPressure_

static Tabulated2DFunction< Scalar >	criticalMolarVolume_

Member Function Documentation

◆ ambroseWalton_()

template<class Scalar >

template<class Params >

static Scalar Dumux::PengRobinson< Scalar >::ambroseWalton_	(	const Params &	params,
		Scalar	T
	)

inlinestaticprotected

The Ambrose-Walton method to estimate the vapor pressure.

Returns: Vapor pressure estimate in bar

See:

D. Ambrose, J. Walton (1989, pp. 1395-1403) [5]

◆ computeFugacity()

template<class Scalar >

template<class Params >

static Scalar Dumux::PengRobinson< Scalar >::computeFugacity ( const Params & params )

inlinestatic

Returns the fugacity coefficient \(\mathrm{[-]}\) for a given pressure and molar volume.

This is the fugacity coefficient times the pressure. The mole fraction of a component in a pure fluid is obviously always 100%, so it is not required.

Parameters

params Parameters

◆ computeFugacityCoeffient()

template<class Scalar >

template<class Params >

static Scalar Dumux::PengRobinson< Scalar >::computeFugacityCoeffient ( const Params & params )

inlinestatic

Returns the fugacity coefficient \(\mathrm{[-]}\) for a given pressure and molar volume.

This is the same value as computeFugacity() because the mole fraction of a component in a pure fluid is obviously always 100%.

Parameters

params Parameters

◆ computeMolarVolume()

template<class Scalar >

template<class FluidState , class Params >

static Scalar Dumux::PengRobinson< Scalar >::computeMolarVolume	(	const FluidState &	fs,
		Params &	params,
		int	phaseIdx,
		bool	isGasPhase,
		bool	handleUnphysicalPhase = `true`
	)

inlinestatic

Computes molar volumes \(\mathrm{[m^3 / mol]}\) where the Peng-Robinson EOS is true.

Parameters

fs	Thermodynamic state of the fluids
params	Parameters
phaseIdx	The phase index
isGasPhase	Specifies the phase state
handleUnphysicalPhase	Special handling of the case when the EOS has only one intersection with the pressure, and the intersection does not correspond to the given phase (the phase is thus considered unphysical). If it happens in the case of critical fluid, the critical molar volume is returned for the unphysical phase. If the fluid is not critical, a proper extremum of the EOS is returned for the unphysical phase. If the parameter is false and the EOS has only one intersection with the pressure, the molar volume is computed from that single intersection, not depending of the given phase (gas or fluid). If the EOS has three intersections with the pressure, this parameter is ignored.

◆ computeVaporPressure()

template<class Scalar >

template<class Params >

static Scalar Dumux::PengRobinson< Scalar >::computeVaporPressure	(	const Params &	params,
		Scalar	T
	)

inlinestatic

Predicts the vapor pressure \(\mathrm{[Pa]}\) for the temperature given in setTP().

Parameters

T	temperature in \(\mathrm{[K]}\)
params	Parameters

Initially, the vapor pressure is roughly estimated by using the Ambrose-Walton method, then the Newton method is used to make difference between the gas and liquid phase fugacity zero.

◆ criticalTemperature()

template<class Scalar >

template<class Params >

static Scalar Dumux::PengRobinson< Scalar >::criticalTemperature ( const Params & params )

inlinestatic

Returns the critical temperature for a given mix.

Parameters

params EOS (equation of state) parameters of a single-component fluid \ (usually PengRobinsonParms) or a mixture (usually PengRobinsonMixtureParams)

◆ findCriticalPoint_()

template<class Scalar >

static void Dumux::PengRobinson< Scalar >::findCriticalPoint_	(	Scalar &	Tcrit,
		Scalar &	pcrit,
		Scalar &	Vcrit,
		Scalar	a,
		Scalar	b
	)

inlinestaticprotected

◆ findExtrema_()

template<class Scalar >

static bool Dumux::PengRobinson< Scalar >::findExtrema_	(	Scalar &	Vmin,
		Scalar &	Vmax,
		Scalar &	pMin,
		Scalar &	pMax,
		Scalar	a,
		Scalar	b,
		Scalar	T
	)

inlinestaticprotected

◆ fugacityDifference_()

template<class Scalar >

template<class Params >

static Scalar Dumux::PengRobinson< Scalar >::fugacityDifference_	(	const Params &	params,
		Scalar	T,
		Scalar	p,
		Scalar	VmLiquid,
		Scalar	VmGas
	)

inlinestaticprotected

Returns the difference between the liquid and the gas phase fugacities in [bar].

Parameters

params	Parameters
T	Temperature [K]
p	Pressure [bar]
VmLiquid	Molar volume of the liquid phase [cm^3/mol]
VmGas	Molar volume of the gas phase [cm^3/mol]

◆ handleCriticalFluid_()

template<class Scalar >

template<class FluidState , class Params >

static Scalar Dumux::PengRobinson< Scalar >::handleCriticalFluid_	(	Scalar	Vm,
		const FluidState &	fs,
		const Params &	params,
		int	phaseIdx,
		bool	isGasPhase
	)

inlinestaticprotected

◆ handleSingleRoot_()

template<class Scalar >

template<class FluidState , class Params >

static Scalar Dumux::PengRobinson< Scalar >::handleSingleRoot_	(	Scalar	Vm,
		const FluidState &	fs,
		const Params &	params,
		int	phaseIdx,
		bool	isGasPhase
	)

inlinestaticprotected

◆ init()

template<class Scalar >

static void Dumux::PengRobinson< Scalar >::init	(	Scalar	aMin,
		Scalar	aMax,
		int	na,
		Scalar	bMin,
		Scalar	bMax,
		int	nb
	)

inlinestatic

Member Data Documentation

◆ criticalMolarVolume_

template<class Scalar >

Tabulated2DFunction< Scalar > Dumux::PengRobinson< Scalar >::criticalMolarVolume_

staticprotected

◆ criticalPressure_

template<class Scalar >

Tabulated2DFunction< Scalar > Dumux::PengRobinson< Scalar >::criticalPressure_

staticprotected

◆ criticalTemperature_

template<class Scalar >

Tabulated2DFunction< Scalar > Dumux::PengRobinson< Scalar >::criticalTemperature_

staticprotected

The documentation for this class was generated from the following file:

pengrobinson.hh

Description

Static Public Member Functions

Static Protected Member Functions

Static Protected Attributes

Member Function Documentation

◆ ambroseWalton_()

◆ computeFugacity()

◆ computeFugacityCoeffient()

◆ computeMolarVolume()

◆ computeVaporPressure()

◆ criticalTemperature()

◆ findCriticalPoint_()

◆ findExtrema_()

◆ fugacityDifference_()

◆ handleCriticalFluid_()

◆ handleSingleRoot_()

◆ init()

Member Data Documentation

◆ criticalMolarVolume_

◆ criticalPressure_

◆ criticalTemperature_