Calculates the chemical equilibrium from the component fugacities \( f^\kappa \) in the phase \( \alpha \). More...

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

Description

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

This constraint solver takes the component fugacity \(f^\kappa\) of of component \(\kappa\), the temperature \( T_\alpha \), the pressure \(p_\alpha\) and the composition \(x^\lambda_\alpha\) of a phase \(\alpha\) as input and calculates the mole fraction of component \(\kappa\) in that fluid phase \(x^\kappa_\alpha\). This means that the thermodynamic constraints used by this solver are

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

where \({f^\kappa}\), \( T_\alpha \) and \( p_\alpha \) are fixed values.

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

Static Public Member Functions
template<class FluidState >
static void	guessInitial (FluidState &fluidState, ParameterCache &paramCache, int phaseIdx, const ComponentVector &fugVec)
	Guess an initial value for the composition of the phase. More...

template<class FluidState >
static void	solve (FluidState &fluidState, ParameterCache &paramCache, int phaseIdx, const ComponentVector &targetFug)
	Calculates the chemical equilibrium from the component fugacities in a phase. More...

Static Protected Member Functions
template<class FluidState >
static void	solveIdealMix_ (FluidState &fluidState, ParameterCache &paramCache, int phaseIdx, const ComponentVector &fugacities)

template<class FluidState >
static void	linearize_ (Dune::FieldMatrix< Scalar, numComponents, numComponents > &J, Dune::FieldVector< Scalar, numComponents > &defect, FluidState &fluidState, ParameterCache &paramCache, int phaseIdx, const ComponentVector &targetFug)

template<class FluidState >
static Scalar	update_ (FluidState &fluidState, ParameterCache &paramCache, Dune::FieldVector< Scalar, numComponents > &x, Dune::FieldVector< Scalar, numComponents > &b, int phaseIdx, const Dune::FieldVector< Scalar, numComponents > &targetFug)

template<class FluidState >
static Scalar	calculateDefect_ (const FluidState &params, int phaseIdx, const ComponentVector &targetFug)

Member Typedef Documentation

◆ ComponentVector

template<class Scalar , class FluidSystem >

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

Member Function Documentation

◆ calculateDefect_()

template<class Scalar , class FluidSystem >

template<class FluidState >

static Scalar Dumux::CompositionFromFugacities< Scalar, FluidSystem >::calculateDefect_	(	const FluidState &	params,
		int	phaseIdx,
		const ComponentVector &	targetFug
	)

inlinestaticprotected

◆ guessInitial()

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionFromFugacities< Scalar, FluidSystem >::guessInitial	(	FluidState &	fluidState,
		ParameterCache &	paramCache,
		int	phaseIdx,
		const ComponentVector &	fugVec
	)

inlinestatic

Parameters

fluidState	Thermodynamic state of the fluids
paramCache	Container for cache parameters
phaseIdx	The phase index
fugVec	fugacity vector of the component

◆ linearize_()

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionFromFugacities< Scalar, FluidSystem >::linearize_	(	Dune::FieldMatrix< Scalar, numComponents, numComponents > &	J,
		Dune::FieldVector< Scalar, numComponents > &	defect,
		FluidState &	fluidState,
		ParameterCache &	paramCache,
		int	phaseIdx,
		const ComponentVector &	targetFug
	)

inlinestaticprotected

◆ solve()

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionFromFugacities< Scalar, FluidSystem >::solve	(	FluidState &	fluidState,
		ParameterCache &	paramCache,
		int	phaseIdx,
		const ComponentVector &	targetFug
	)

inlinestatic

Parameters

fluidState	Thermodynamic state of the fluids
paramCache	Container for cache parameters
phaseIdx	The phase index
targetFug	target fugacity

The phase's fugacities must already be set.

◆ solveIdealMix_()

template<class Scalar , class FluidSystem >

template<class FluidState >

static void Dumux::CompositionFromFugacities< Scalar, FluidSystem >::solveIdealMix_	(	FluidState &	fluidState,
		ParameterCache &	paramCache,
		int	phaseIdx,
		const ComponentVector &	fugacities
	)

inlinestaticprotected

◆ update_()

template<class Scalar , class FluidSystem >

template<class FluidState >

static Scalar Dumux::CompositionFromFugacities< Scalar, FluidSystem >::update_	(	FluidState &	fluidState,
		ParameterCache &	paramCache,
		Dune::FieldVector< Scalar, numComponents > &	x,
		Dune::FieldVector< Scalar, numComponents > &	b,
		int	phaseIdx,
		const Dune::FieldVector< Scalar, numComponents > &	targetFug
	)

inlinestaticprotected

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

compositionfromfugacities.hh

Description

Public Types

Static Public Member Functions

Static Protected Member Functions

Member Typedef Documentation

◆ ComponentVector

Member Function Documentation

◆ calculateDefect_()

◆ guessInitial()

◆ linearize_()

◆ solve()

◆ solveIdealMix_()

◆ update_()