Flash calculation routines for compositional sequential models. More...

#include <dumux/material/constraintsolvers/compositionalflash.hh>

Description

template<class Scalar, class FluidSystem>
class Dumux::CompositionalFlash< Scalar, FluidSystem >

Flash calculation routines for compositional sequential models.

Routines for isothermal and isobaric 2p2c and 1p2c flash, assuming an ideal mixture. The flash assumes that the fugacities of a component \( \kappa \) in each phase are the same. The fugacity is defined as:

\( f^\kappa = \Phi^\kappa_\alpha(T_\alpha, p_\alpha) p_\alpha x^\kappa_\alpha\; \),

where \( Phi^\kappa_\alpha \) is a fixed fugacity coefficient independent of the phase's composition (ideal mixture), \( T_\alpha \) is a fixed temperature, and \( p_\alpha \) a fixed phase pressure. From the equality of fugacities, the mole (and mass) fractions \( x^\kappa_\alpha \) in equilibrium are calculated.

Public Types
using	ComponentVector = Dune::FieldVector< Scalar, numComponents >

using	PhaseVector = Dune::FieldVector< Scalar, numPhases >

Static Public Member Functions
template<class FluidState >
static void	concentrationFlash2p2c (FluidState &fluidState, const Scalar &Z0, const PhaseVector &phasePressure, const Scalar &porosity, const Scalar &temperature)

Concentration flash for a given feed fraction
template<class FluidState >
static void	concentrationFlash2p2c (FluidState &fluidState, const Scalar Z0, const PhaseVector &phasePressure, const Scalar temperature)
	2p2c Flash for constant p & T if concentration (feed mass fraction) is given. More...

static void	concentrationFlash1p2c (FluidState1p2c &fluidState, const Scalar &Z0, const Dune::FieldVector< Scalar, numPhases > phasePressure, const int presentPhaseIdx, const Scalar &temperature)
	The simplest possible update routine for 1p2c "flash" calculations. More...

template<class FluidState >
static void	saturationFlash2p2c (FluidState &fluidState, const Scalar &saturation, const PhaseVector &phasePressure, const Scalar &porosity, const Scalar &temperature)

Saturation flash for a given saturation (e.g. at boundary)
template<class FluidState >
static void	saturationFlash2p2c (FluidState &fluidState, const Scalar saturation, const PhaseVector &phasePressure, const Scalar temperature)
	2p2c flash for constant p & T if the saturation instead of concentration (feed mass fraction) is known. More...

Member Typedef Documentation

◆ ComponentVector

template<class Scalar , class FluidSystem >

using Dumux::CompositionalFlash< Scalar, FluidSystem >::ComponentVector = Dune::FieldVector<Scalar, numComponents>

◆ PhaseVector

template<class Scalar , class FluidSystem >

using Dumux::CompositionalFlash< Scalar, FluidSystem >::PhaseVector = Dune::FieldVector<Scalar, numPhases>

Member Function Documentation

◆ concentrationFlash1p2c()

template<class Scalar , class FluidSystem >

static void Dumux::CompositionalFlash< Scalar, FluidSystem >::concentrationFlash1p2c	(	FluidState1p2c &	fluidState,
		const Scalar &	Z0,
		const Dune::FieldVector< Scalar, numPhases >	phasePressure,
		const int	presentPhaseIdx,
		const Scalar &	temperature
	)

inlinestatic

The simplest possible update routine for 1p2c "flash" calculations.

Routine goes as follows:

check if we are in single phase condition
assign total concentration to the present phase
complete fluid state

Parameters

fluidState	The sequential fluid state
Z0	Feed mass fraction: Mass of first component per total mass \(\mathrm{[-]}\)
phasePressure	Vector holding the pressure \(\mathrm{[Pa]}\)
presentPhaseIdx	Subdomain Index = Indication which phase is present
temperature	Temperature \(\mathrm{[K]}\)

◆ concentrationFlash2p2c() [1/2]

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionalFlash< Scalar, FluidSystem >::concentrationFlash2p2c	(	FluidState &	fluidState,
		const Scalar &	Z0,
		const PhaseVector &	phasePressure,
		const Scalar &	porosity,
		const Scalar &	temperature
	)

inlinestatic

◆ concentrationFlash2p2c() [2/2]

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionalFlash< Scalar, FluidSystem >::concentrationFlash2p2c	(	FluidState &	fluidState,
		const Scalar	Z0,
		const PhaseVector &	phasePressure,
		const Scalar	temperature
	)

inlinestatic

2p2c Flash for constant p & T if concentration (feed mass fraction) is given.

This flash uses the Rachford-Rice equation: Rachford Jr, H. H., & Rice, J. D. (1952). Procedure for use of electronic digital computers in calculating flash vaporization hydrocarbon equilibrium. Journal of Petroleum Technology, 4(10), 19-3.

Routine goes as follows:

determination of the equilibrium constants from the fluid system
determination of maximum solubilities (mole fractions) according to phase pressures
comparison with phase mass fraction Nu (from Rachford-Rice equation) to determine phase presence => actual mole and mass fractions

complete fluid state

Parameters

fluidState	The sequential fluid State
Z0	Feed mass fraction: Mass of first component per total mass \(\mathrm{[-]}\)
phasePressure	Vector holding the pressure \(\mathrm{[Pa]}\)
temperature	Temperature \(\mathrm{[K]}\)

◆ saturationFlash2p2c() [1/2]

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionalFlash< Scalar, FluidSystem >::saturationFlash2p2c	(	FluidState &	fluidState,
		const Scalar &	saturation,
		const PhaseVector &	phasePressure,
		const Scalar &	porosity,
		const Scalar &	temperature
	)

inlinestatic

◆ saturationFlash2p2c() [2/2]

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionalFlash< Scalar, FluidSystem >::saturationFlash2p2c	(	FluidState &	fluidState,
		const Scalar	saturation,
		const PhaseVector &	phasePressure,
		const Scalar	temperature
	)

inlinestatic

2p2c flash for constant p & T if the saturation instead of concentration (feed mass fraction) is known.

Routine goes as follows:

determination of the equilibrium constants from the fluid system
determination of maximum solubilities (mole fractions) according to phase pressures

complete fluid state

Parameters

fluidState	The sequential fluid state
saturation	Saturation of phase 1 \(\mathrm{[-]}\)
phasePressure	Vector holding the pressure \(\mathrm{[Pa]}\)
temperature	Temperature \(\mathrm{[K]}\)

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

compositionalflash.hh

Description

Public Types

Static Public Member Functions

Member Typedef Documentation

◆ ComponentVector

◆ PhaseVector

Member Function Documentation

◆ concentrationFlash1p2c()

◆ concentrationFlash2p2c() [1/2]

◆ concentrationFlash2p2c() [2/2]

◆ saturationFlash2p2c() [1/2]

◆ saturationFlash2p2c() [2/2]