Dumux::CompositionFromFugacities< Scalar, FluidSystem > Class Template Reference

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 >

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

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

Guess an initial value for the composition of the phase.

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

Calculates the chemical equilibrium from the component fugacities in a phase.

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

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

• compositionfromfugacities.hh