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) [50]

R. Reid, et al. (1987, pp. 42-44, 82) [53]

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

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

◆ 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.

◆ 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 void Dumux::PengRobinson< Scalar >::handleCriticalFluid_	(	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()

◆ findCriticalPoint_()

◆ findExtrema_()

◆ fugacityDifference_()

◆ handleCriticalFluid_()

◆ init()

Member Data Documentation

◆ criticalMolarVolume_

◆ criticalPressure_

◆ criticalTemperature_