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

#include <PengRobinson.hpp>

Static Public Member Functions
static void	init (Scalar, Scalar, unsigned, Scalar, Scalar, unsigned)

template<class Evaluation , class Params >
static Evaluation	computeVaporPressure (const Params &params, const Evaluation &T)
	Predicts the vapor pressure for the temperature given in setTP(). More...

template<class FluidState , class Params >
static FluidState::Scalar	computeMolarVolume (const FluidState &fs, Params &params, unsigned phaseIdx, bool isGasPhase)
	Computes molar volumes where the Peng-Robinson EOS is true. More...

template<class Evaluation , class Params >
static Evaluation	computeFugacityCoeffient (const Params &params)
	Returns the fugacity coefficient for a given pressure and molar volume. More...

template<class Evaluation , class Params >
static Evaluation	computeFugacity (const Params &params)
	Returns the fugacity coefficient for a given pressure and molar volume. More...

Static Protected Member Functions
template<class FluidState , class Params , class Evaluation = typename FluidState::Scalar>
static void	handleCriticalFluid_ (Evaluation &Vm, const FluidState &, const Params &params, unsigned phaseIdx, bool isGasPhase)

template<class Evaluation >
static void	findCriticalPoint_ (Evaluation &Tcrit, Evaluation &pcrit, Evaluation &Vcrit, const Evaluation &a, const Evaluation &b)

template<class Evaluation >
static bool	findExtrema_ (Evaluation &Vmin, Evaluation &Vmax, Evaluation &, Evaluation &, const Evaluation &a, const Evaluation &b, const Evaluation &T)

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

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

Detailed Description

template<class Scalar>
class Opm::PengRobinson< Scalar >

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

See:

D.-Y. Peng, D.B. Robinson: A new two-constant equation of state, Industrial & Engineering Chemistry Fundamentals, 1976, 15 (1), pp. 59–64

R. Reid, et al.: The Properties of Gases and Liquids, 4th edition, McGraw-Hill, 1987, pp. 42-44, 82

Member Function Documentation

◆ ambroseWalton_()

template<class Scalar >

template<class Evaluation , class Params >

static Evaluation Opm::PengRobinson< Scalar >::ambroseWalton_	(	const Params &	,
		const Evaluation &	T
	)

inlinestaticprotected

The Ambrose-Walton method to estimate the vapor pressure.

Returns: Vapor pressure estimate in bar

See:

D. Ambrose, J. Walton: "Vapor Pressures up to Their Critical Temperatures of Normal Alkanes and 1-Alkanols", Pure Appl. Chem., 61, 1395-1403, 1989

References Opm::Component< ScalarT, Implementation >::acentricFactor(), Opm::Component< ScalarT, Implementation >::criticalPressure(), Opm::Component< ScalarT, Implementation >::criticalTemperature(), Opm::exp(), Opm::pow(), and Opm::sqrt().

Referenced by Opm::PengRobinson< Scalar >::computeVaporPressure().

◆ computeFugacity()

template<class Scalar >

template<class Evaluation , class Params >

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

inlinestatic

Returns the fugacity coefficient 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 Evaluation , class Params >

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

inlinestatic

Returns the fugacity coefficient 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

References Opm::exp(), Opm::pow(), and Opm::sqrt().

◆ computeMolarVolume()

template<class Scalar >

template<class FluidState , class Params >

static FluidState::Scalar Opm::PengRobinson< Scalar >::computeMolarVolume	(	const FluidState &	fs,
		Params &	params,
		unsigned	phaseIdx,
		bool	isGasPhase
	)

inlinestatic

Computes molar volumes where the Peng-Robinson EOS is true.

References Opm::abs(), Opm::Valgrind::CheckDefined(), Opm::cubicRoots(), Opm::PengRobinson< Scalar >::findExtrema_(), Opm::PengRobinson< Scalar >::handleCriticalFluid_(), Opm::isfinite(), Opm::max(), Opm::min(), Opm::scalarValue(), and Opm::Valgrind::SetUndefined().

Referenced by Opm::PTFlashParameterCache< Scalar, FluidSystem >::updateMolarVolume_(), and Opm::Spe5ParameterCache< Scalar, FluidSystem >::updateMolarVolume_().

◆ computeVaporPressure()

template<class Scalar >

template<class Evaluation , class Params >

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

inlinestatic

Predicts the vapor pressure for the temperature given in setTP().

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.

References Opm::abs(), Opm::PengRobinson< Scalar >::ambroseWalton_(), Opm::Component< ScalarT, Implementation >::criticalPressure(), Opm::Component< ScalarT, Implementation >::criticalTemperature(), Opm::PengRobinson< Scalar >::fugacityDifference_(), and Opm::scalarValue().

◆ findCriticalPoint_()

template<class Scalar >

template<class Evaluation >

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

inlinestaticprotected

References Opm::abs(), Opm::PengRobinson< Scalar >::findExtrema_(), Opm::isfinite(), and Opm::scalarValue().

Referenced by Opm::PengRobinson< Scalar >::handleCriticalFluid_().

◆ findExtrema_()

template<class Scalar >

template<class Evaluation >

static bool Opm::PengRobinson< Scalar >::findExtrema_	(	Evaluation &	Vmin,
		Evaluation &	Vmax,
		Evaluation &	,
		Evaluation &	,
		const Evaluation &	a,
		const Evaluation &	b,
		const Evaluation &	T
	)

inlinestaticprotected

References Opm::abs(), Opm::isfinite(), and Opm::scalarValue().

Referenced by Opm::PengRobinson< Scalar >::computeMolarVolume(), and Opm::PengRobinson< Scalar >::findCriticalPoint_().

◆ fugacityDifference_()

template<class Scalar >

template<class Evaluation , class Params >

static Evaluation Opm::PengRobinson< Scalar >::fugacityDifference_	(	const Params &	params,
		const Evaluation &	T,
		const Evaluation &	p,
		const Evaluation &	VmLiquid,
		const Evaluation &	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]

Referenced by Opm::PengRobinson< Scalar >::computeVaporPressure().

◆ handleCriticalFluid_()

template<class Scalar >

template<class FluidState , class Params , class Evaluation = typename FluidState::Scalar>

static void Opm::PengRobinson< Scalar >::handleCriticalFluid_	(	Evaluation &	Vm,
		const FluidState &	,
		const Params &	params,
		unsigned	phaseIdx,
		bool	isGasPhase
	)