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

Determines the phase compositions, pressures and saturations given the total mass of all components. More...

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

Description

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

Determines the phase compositions, pressures and saturations given the total mass of all components.

In a M-phase, N-component context, we have the following unknowns:

• M pressures
• M saturations
• M*N mole fractions

This sums up to M*(N + 2). On the equations side of things, we have:

• (M - 1)*N equation stemming from the fact that the fugacity of any component is the same in all phases
• 1 equation from the closure condition of all saturations (they sum up to 1)
• M - 1 constraints from the capillary pressures \((-> p_\beta = p_\alpha + p_c\alpha,\beta)\)
• N constraints from the fact that the total mass of each component is given \((-> sum_\alpha rhoMolar_\alpha * x_\alpha^\kappa = const)\)
• M model constraints. Here we use the NCP constraints (-> 0 = min \( {S_\alpha, 1 - \sum_\kappa x_\alpha^\kappa}\))

this also sums up to M*(N + 2).

We use the following catches: Capillary pressures are taken into account explicitly, so that only the pressure of the first phase is solved implicitly, also the closure condition for the saturations is taken into account explicitly, which means, that we don't need to implicitly solve for the last saturation. These two measures reduce the number of unknowns to M*(N + 1), namely:

• 1 pressure
• M - 1 saturations
• M*N mole fractions

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

Public Member Functions
	NcpFlash (int wettingPhaseIdx=0)
	Construct a new flash. More...
template<class FluidState >
void	guessInitial (FluidState &fluidState, ParameterCache &paramCache, const ComponentVector &globalMolarities)
	Guess initial values for all quantities. More...
template<class MaterialLaw , class FluidState >
void	solve (FluidState &fluidState, ParameterCache &paramCache, const MaterialLaw &material, const ComponentVector &globalMolarities)
	Calculates the chemical equilibrium from the component fugacities in a phase. More...

Protected Member Functions
template<class FluidState >
void	printFluidState_ (const FluidState &fs)
template<class MaterialLaw , class FluidState >
void	linearize_ (Matrix &J, Vector &b, FluidState &fluidState, ParameterCache &paramCache, const MaterialLaw &material, const ComponentVector &globalMolarities)
template<class FluidState >
void	calculateDefect_ (Vector &b, const FluidState &fluidStateEval, const FluidState &fluidState, const ComponentVector &globalMolarities)
template<class MaterialLaw , class FluidState >
Scalar	update_ (FluidState &fluidState, ParameterCache &paramCache, const MaterialLaw &material, const Vector &deltaX)
template<class MaterialLaw , class FluidState >
void	completeFluidState_ (FluidState &fluidState, ParameterCache &paramCache, const MaterialLaw &material)
bool	isPressureIdx_ (int pvIdx)
bool	isSaturationIdx_ (int pvIdx)
bool	isMoleFracIdx_ (int pvIdx)
template<class FluidState >
Scalar	getQuantity_ (const FluidState &fs, int pvIdx)
template<class MaterialLaw , class FluidState >
void	setQuantity_ (FluidState &fs, ParameterCache &paramCache, const MaterialLaw &material, int pvIdx, Scalar value)
template<class FluidState >
void	setQuantityRaw_ (FluidState &fs, int pvIdx, Scalar value)
template<class FluidState >
Scalar	quantityWeight_ (const FluidState &fs, int pvIdx)

Member Typedef Documentation

ComponentVector

template<class Scalar , class FluidSystem >

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

Constructor & Destructor Documentation

NcpFlash()

template<class Scalar , class FluidSystem >

Dumux::NcpFlash< Scalar, FluidSystem >::NcpFlash ( int  wettingPhaseIdx = 0 )

inlineexplicit

Construct a new flash.

Parameters

wettingPhaseIdx

the phase index of the wetting phase

Member Function Documentation

calculateDefect_()

template<class Scalar , class FluidSystem >

template<class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::calculateDefect_ ( Vector &  b, const FluidState &  fluidStateEval, const FluidState &  fluidState, const ComponentVector &  globalMolarities  )

inlineprotected

completeFluidState_()

template<class Scalar , class FluidSystem >

template<class MaterialLaw , class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::completeFluidState_ ( FluidState &  fluidState, ParameterCache &  paramCache, const MaterialLaw &  material  )

inlineprotected

getQuantity_()

template<class Scalar , class FluidSystem >

template<class FluidState >

Scalar Dumux::NcpFlash< Scalar, FluidSystem >::getQuantity_ ( const FluidState &  fs, int  pvIdx  )

inlineprotected

guessInitial()

template<class Scalar , class FluidSystem >

template<class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::guessInitial ( FluidState &  fluidState, ParameterCache &  paramCache, const ComponentVector &  globalMolarities  )

inline

Guess initial values for all quantities.

Parameters

fluidState	Thermodynamic state of the fluids
paramCache	Container for cache parameters
globalMolarities

isMoleFracIdx_()

template<class Scalar , class FluidSystem >

bool Dumux::NcpFlash< Scalar, FluidSystem >::isMoleFracIdx_ ( int  pvIdx )

inlineprotected

isPressureIdx_()

template<class Scalar , class FluidSystem >

bool Dumux::NcpFlash< Scalar, FluidSystem >::isPressureIdx_ ( int  pvIdx )

inlineprotected

isSaturationIdx_()

template<class Scalar , class FluidSystem >

bool Dumux::NcpFlash< Scalar, FluidSystem >::isSaturationIdx_ ( int  pvIdx )

inlineprotected

linearize_()

template<class Scalar , class FluidSystem >

template<class MaterialLaw , class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::linearize_ ( Matrix &  J, Vector &  b, FluidState &  fluidState, ParameterCache &  paramCache, const MaterialLaw &  material, const ComponentVector &  globalMolarities  )

inlineprotected

printFluidState_()

template<class Scalar , class FluidSystem >

template<class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::printFluidState_ ( const FluidState &  fs )

inlineprotected

quantityWeight_()

template<class Scalar , class FluidSystem >

template<class FluidState >

Scalar Dumux::NcpFlash< Scalar, FluidSystem >::quantityWeight_ ( const FluidState &  fs, int  pvIdx  )

inlineprotected

setQuantity_()

template<class Scalar , class FluidSystem >

template<class MaterialLaw , class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::setQuantity_ ( FluidState &  fs, ParameterCache &  paramCache, const MaterialLaw &  material, int  pvIdx, Scalar  value  )

inlineprotected

setQuantityRaw_()

template<class Scalar , class FluidSystem >

template<class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::setQuantityRaw_ ( FluidState &  fs, int  pvIdx, Scalar  value  )

inlineprotected

solve()

template<class Scalar , class FluidSystem >

template<class MaterialLaw , class FluidState >

void Dumux::NcpFlash< Scalar, FluidSystem >::solve ( FluidState &  fluidState, ParameterCache &  paramCache, const MaterialLaw &  material, const ComponentVector &  globalMolarities  )

inline

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

Parameters

fluidState	Thermodynamic state of the fluids
paramCache	Container for cache parameters
globalMolarities
material	The material law object

The phase's fugacities must already be set.

update_()

template<class Scalar , class FluidSystem >

template<class MaterialLaw , class FluidState >

Scalar Dumux::NcpFlash< Scalar, FluidSystem >::update_ ( FluidState &  fluidState, ParameterCache &  paramCache, const MaterialLaw &  material, const Vector &  deltaX  )

inlineprotected

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

• ncpflash.hh