Represents all relevant thermodynamic quantities of a multi-phase, multi-component fluid system assuming thermodynamic equilibrium.

#include <dumux/material/fluidstates/compositional.hh>

Public Types
using	Scalar = ScalarType
	export the scalar type More...

Public Member Functions
	CompositionalFluidState ()=default
	default constructor More...

template<class FluidState , typename std::enable_if_t<!std::is_same< FluidState, CompositionalFluidState >::value, int > = 0>
	CompositionalFluidState (const FluidState &fs)
	copy constructor from arbitrary fluid state More...

	CompositionalFluidState (const CompositionalFluidState &fs)=default

	CompositionalFluidState (CompositionalFluidState &&fs)=default

CompositionalFluidState &	operator= (const CompositionalFluidState &fs)=default

CompositionalFluidState &	operator= (CompositionalFluidState &&fs)=default

int	wettingPhase () const
	Returns the index of the most wetting phase in the fluid-solid configuration (for porous medium systems). More...

Scalar	saturation (int phaseIdx) const
	Returns the saturation \(S_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[-]}\). More...

Scalar	moleFraction (int phaseIdx, int compIdx) const
	Returns the molar fraction \(x^\kappa_\alpha\) of the component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\). More...

Scalar	massFraction (int phaseIdx, int compIdx) const
	Returns the mass fraction \(X^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\). More...

Scalar	phaseMassFraction (int phaseIdx) const
	Returns the phase mass fraction, i.e. phase mass per total mass \(\mathrm{[kg/kg]}\). More...

Scalar	averageMolarMass (int phaseIdx) const
	The average molar mass \(\overline M_\alpha\) of phase \(\alpha\) in \(\mathrm{[kg/mol]}\). More...

Scalar	molarity (int phaseIdx, int compIdx) const
	The molar concentration \(c^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[mol/m^3]}\). More...

Scalar	fugacity (int phaseIdx, int compIdx) const
	The fugacity \(f^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[Pa]}\). More...

Scalar	fugacityCoefficient (int phaseIdx, int compIdx) const
	The fugacity coefficient \(\Phi^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\). More...

Scalar	molarVolume (int phaseIdx) const
	The molar volume \(v_{mol,\alpha}\) of a fluid phase \(\alpha\) in \(\mathrm{[m^3/mol]}\). More...

Scalar	density (int phaseIdx) const
	The mass density \(\rho_\alpha\) of the fluid phase \(\alpha\) in \(\mathrm{[kg/m^3]}\). More...

Scalar	molarDensity (int phaseIdx) const
	The molar density \(\rho_\alpha\) of the fluid phase \(\alpha\) in \(\mathrm{[mol/m^3]}\). More...

Scalar	temperature (int phaseIdx) const
	The absolute temperature \(T_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[K]}\). More...

Scalar	pressure (int phaseIdx) const
	The pressure \(p_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[Pa]}\). More...

Scalar	partialPressure (int phaseIdx, int compIdx) const
	The partial pressure of a component in a phase \(\mathrm{[Pa]}\). More...

Scalar	enthalpy (int phaseIdx) const
	The specific enthalpy \(h_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[J/kg]}\). More...

Scalar	internalEnergy (int phaseIdx) const
	The specific internal energy \(u_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[J/kg]}\). More...

Scalar	viscosity (int phaseIdx) const
	The dynamic viscosity \(\mu_\alpha\) of fluid phase \(\alpha\) in \(\mathrm{[Pa s]}\). More...

Scalar	temperature () const
	The temperature within the domain \(\mathrm{[K]}\). More...

Scalar	fugacity (int compIdx) const
	The fugacity of a component \(\mathrm{[Pa]}\). More...

template<class FluidState >
void	assign (const FluidState &fs)
	Retrieve all parameters from an arbitrary fluid state. More...

void	setTemperature (Scalar value)
	Set the temperature \(\mathrm{[K]}\) of all phases. More...

void	setTemperature (const int phaseIdx, const Scalar value)
	Set the temperature \(\mathrm{[K]}\) of a specific phase. This is not implemented in this fluidstate. More...

void	setPressure (int phaseIdx, Scalar value)
	Set the fluid pressure of a phase \(\mathrm{[Pa]}\). More...

void	setSaturation (int phaseIdx, Scalar value)
	Set the saturation of a phase \(\mathrm{[-]}\). More...

void	setMoleFraction (int phaseIdx, int compIdx, Scalar value)
	Set the mole fraction of a component in a phase \(\mathrm{[-]}\) and update the average molar mass \(\mathrm{[kg/mol]}\) according to the current composition of the phase. More...

void	setMassFraction (int phaseIdx, int compIdx, Scalar value)
	Set the mass fraction of a component in a phase \(\mathrm{[-]}\) and update the average molar mass \(\mathrm{[kg/mol]}\) according to the current composition of the phase. More...

void	setFugacityCoefficient (int phaseIdx, int compIdx, Scalar value)
	Set the fugacity coefficient \(\Phi^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\). More...

void	setDensity (int phaseIdx, Scalar value)
	Set the density of a phase \(\mathrm{[kg / m^3]}\). More...

void	setMolarDensity (int phaseIdx, Scalar value)
	Set the molar density of a phase \(\mathrm{[mol / m^3]}\). More...

void	setEnthalpy (int phaseIdx, Scalar value)
	Set the specific enthalpy of a phase \(\mathrm{[J/kg]}\). More...

void	setViscosity (int phaseIdx, Scalar value)
	Set the dynamic viscosity of a phase \(\mathrm{[Pa s]}\). More...

void	setWettingPhase (int phaseIdx)
	Set the index of the most wetting phase. More...

Static Public Attributes
static constexpr int	numPhases = FluidSystem::numPhases

static constexpr int	numComponents = FluidSystem::numComponents

Protected Attributes
std::array< std::array< Scalar, numComponents >, numPhases >	moleFraction_ = {}
	zero-initialize all data members with braces syntax More...

std::array< std::array< Scalar, numComponents >, numPhases >	fugacityCoefficient_ = {}

std::array< Scalar, numPhases >	averageMolarMass_ = {}

std::array< Scalar, numPhases >	sumMoleFractions_ = {}

std::array< Scalar, numPhases >	pressure_ = {}

std::array< Scalar, numPhases >	saturation_ = {}

std::array< Scalar, numPhases >	density_ = {}

std::array< Scalar, numPhases >	molarDensity_ = {}

std::array< Scalar, numPhases >	enthalpy_ = {}

std::array< Scalar, numPhases >	viscosity_ = {}

std::array< Scalar, numPhases >	temperature_ = {}

int	wPhaseIdx_ {0}

Member Typedef Documentation

◆ Scalar

template<class ScalarType , class FluidSystem >

using Dumux::CompositionalFluidState< ScalarType, FluidSystem >::Scalar = ScalarType

Constructor & Destructor Documentation

◆ CompositionalFluidState() [1/4]

template<class ScalarType , class FluidSystem >

Dumux::CompositionalFluidState< ScalarType, FluidSystem >::CompositionalFluidState ( )

default

◆ CompositionalFluidState() [2/4]

template<class ScalarType , class FluidSystem >

template<class FluidState , typename std::enable_if_t<!std::is_same< FluidState, CompositionalFluidState >::value, int > = 0>

Dumux::CompositionalFluidState< ScalarType, FluidSystem >::CompositionalFluidState ( const FluidState & fs )

inline

◆ CompositionalFluidState() [3/4]

template<class ScalarType , class FluidSystem >

Dumux::CompositionalFluidState< ScalarType, FluidSystem >::CompositionalFluidState ( const CompositionalFluidState< ScalarType, FluidSystem > & fs )

default

◆ CompositionalFluidState() [4/4]

template<class ScalarType , class FluidSystem >

Dumux::CompositionalFluidState< ScalarType, FluidSystem >::CompositionalFluidState ( CompositionalFluidState< ScalarType, FluidSystem > && fs )

default

Member Function Documentation

◆ assign()

template<class ScalarType , class FluidSystem >

template<class FluidState >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::assign ( const FluidState & fs )

inline

Note: If the other fluid state object is inconsistent with the thermodynamic equilibrium, the result of this method is undefined.

◆ averageMolarMass()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::averageMolarMass ( int phaseIdx ) const

inline

The average molar mass is the mean mass of a mole of the fluid at current composition. It is defined as the sum of the component's molar masses weighted by the current mole fraction:

\[\mathrm{ \overline M_\alpha = \sum_\kappa M^\kappa x_\alpha^\kappa}\]

◆ density()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::density ( int phaseIdx ) const

inline

◆ enthalpy()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::enthalpy ( int phaseIdx ) const

inline

◆ fugacity() [1/2]

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::fugacity ( int compIdx ) const

inline

This assumes chemical equilibrium.

◆ fugacity() [2/2]

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::fugacity	(	int	phaseIdx,
		int	compIdx
	)		const

inline

The fugacity is defined as: \(f_\alpha^\kappa := \Phi^\kappa_\alpha x^\kappa_\alpha p_\alpha \;,\) where \(\Phi^\kappa_\alpha\) is the fugacity coefficient [72] . The physical meaning of fugacity becomes clear from the equation:

\[f_\alpha^\kappa = p_\alpha \exp\left\{\frac{\zeta^\kappa_\alpha}{R T_\alpha} \right\} \;,\]

where \(\zeta^\kappa_\alpha\) represents the \(\kappa\)'s chemical potential in phase \(\alpha\), \(R\) stands for the ideal gas constant, and \(T_\alpha\) for the absolute temperature of phase \(\alpha\). Assuming thermal equilibrium, there is a one-to-one mapping between a component's chemical potential \(\zeta^\kappa_\alpha\) and its fugacity \(f^\kappa_\alpha\). In this case chemical equilibrium can thus be expressed by:

\[f^\kappa := f^\kappa_\alpha = f^\kappa_\beta\quad\forall \alpha, \beta\]

◆ fugacityCoefficient()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::fugacityCoefficient	(	int	phaseIdx,
		int	compIdx
	)		const

inline

◆ internalEnergy()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::internalEnergy ( int phaseIdx ) const

inline

The specific internal energy is defined by the relation:

\[u_\alpha = h_\alpha - \frac{p_\alpha}{\rho_\alpha}\]

◆ massFraction()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::massFraction	(	int	phaseIdx,
		int	compIdx
	)		const

inline

The mass fraction \(X^\kappa_\alpha\) is defined as the weight of all molecules of a component divided by the total mass of the fluid phase. It is related with the component's mole fraction by means of the relation

\[X^\kappa_\alpha = x^\kappa_\alpha \frac{M^\kappa}{\overline M_\alpha}\;,\]

where \(M^\kappa\) is the molar mass of component \(\kappa\) and \(\overline M_\alpha\) is the mean molar mass of a molecule of phase \(\alpha\).

Parameters

phaseIdx	the index of the phase
compIdx	the index of the component

◆ molarDensity()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::molarDensity ( int phaseIdx ) const

inline

◆ molarity()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::molarity	(	int	phaseIdx,
		int	compIdx
	)		const

inline

This quantity is usually called "molar concentration" or just "concentration", but there are many other (though less common) measures for concentration.

http://en.wikipedia.org/wiki/Concentration

◆ molarVolume()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::molarVolume ( int phaseIdx ) const

inline

This quantity is the inverse of the molar density.

◆ moleFraction()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::moleFraction	(	int	phaseIdx,
		int	compIdx
	)		const

inline

The molar fraction \(x^\kappa_\alpha\) is defined as the ratio of the number of molecules of component \(\kappa\) and the total number of molecules of the phase \(\alpha\).

Parameters

phaseIdx	the index of the phase
compIdx	the index of the component

◆ operator=() [1/2]

template<class ScalarType , class FluidSystem >

CompositionalFluidState & Dumux::CompositionalFluidState< ScalarType, FluidSystem >::operator= ( CompositionalFluidState< ScalarType, FluidSystem > && fs )

default

◆ operator=() [2/2]

template<class ScalarType , class FluidSystem >

CompositionalFluidState & Dumux::CompositionalFluidState< ScalarType, FluidSystem >::operator= ( const CompositionalFluidState< ScalarType, FluidSystem > & fs )

default

◆ partialPressure()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::partialPressure	(	int	phaseIdx,
		int	compIdx
	)		const

inline

◆ phaseMassFraction()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::phaseMassFraction ( int phaseIdx ) const

inline

Parameters

phaseIdx the index of the phase

◆ pressure()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::pressure ( int phaseIdx ) const

inline

◆ saturation()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::saturation ( int phaseIdx ) const

inline

The saturation is defined as the pore space occupied by the fluid divided by the total pore space:

\[S_\alpha := \frac{\phi \mathcal{V}_\alpha}{\phi \mathcal{V}}\]

Parameters

phaseIdx the index of the phase

◆ setDensity()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setDensity	(	int	phaseIdx,
		Scalar	value
	)

inline

◆ setEnthalpy()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setEnthalpy	(	int	phaseIdx,
		Scalar	value
	)

inline

◆ setFugacityCoefficient()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setFugacityCoefficient	(	int	phaseIdx,
		int	compIdx,
		Scalar	value
	)

inline

◆ setMassFraction()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setMassFraction	(	int	phaseIdx,
		int	compIdx,
		Scalar	value
	)

inline

◆ setMolarDensity()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setMolarDensity	(	int	phaseIdx,
		Scalar	value
	)

inline

◆ setMoleFraction()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setMoleFraction	(	int	phaseIdx,
		int	compIdx,
		Scalar	value
	)

inline

◆ setPressure()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setPressure	(	int	phaseIdx,
		Scalar	value
	)

inline

◆ setSaturation()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setSaturation	(	int	phaseIdx,
		Scalar	value
	)

inline

◆ setTemperature() [1/2]

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setTemperature	(	const int	phaseIdx,
		const Scalar	value
	)

inline

◆ setTemperature() [2/2]

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setTemperature ( Scalar value )

inline

◆ setViscosity()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setViscosity	(	int	phaseIdx,
		Scalar	value
	)

inline

◆ setWettingPhase()

template<class ScalarType , class FluidSystem >

void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setWettingPhase ( int phaseIdx )

inline

◆ temperature() [1/2]

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::temperature ( ) const

inline

◆ temperature() [2/2]

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::temperature ( int phaseIdx ) const

inline

◆ viscosity()

template<class ScalarType , class FluidSystem >

Scalar Dumux::CompositionalFluidState< ScalarType, FluidSystem >::viscosity ( int phaseIdx ) const

inline

◆ wettingPhase()

template<class ScalarType , class FluidSystem >

int Dumux::CompositionalFluidState< ScalarType, FluidSystem >::wettingPhase ( ) const

inline

Member Data Documentation

◆ averageMolarMass_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::averageMolarMass_ = {}

protected

◆ density_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::density_ = {}

protected

◆ enthalpy_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::enthalpy_ = {}

protected

◆ fugacityCoefficient_

template<class ScalarType , class FluidSystem >

std::array<std::array<Scalar, numComponents>, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::fugacityCoefficient_ = {}

protected

◆ molarDensity_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::molarDensity_ = {}

protected

◆ moleFraction_

template<class ScalarType , class FluidSystem >

std::array<std::array<Scalar, numComponents>, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::moleFraction_ = {}

protected

◆ numComponents

template<class ScalarType , class FluidSystem >

constexpr int Dumux::CompositionalFluidState< ScalarType, FluidSystem >::numComponents = FluidSystem::numComponents

staticconstexpr

◆ numPhases

template<class ScalarType , class FluidSystem >

constexpr int Dumux::CompositionalFluidState< ScalarType, FluidSystem >::numPhases = FluidSystem::numPhases

staticconstexpr

◆ pressure_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::pressure_ = {}

protected

◆ saturation_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::saturation_ = {}

protected

◆ sumMoleFractions_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::sumMoleFractions_ = {}

protected

◆ temperature_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::temperature_ = {}

protected

◆ viscosity_

template<class ScalarType , class FluidSystem >

std::array<Scalar, numPhases> Dumux::CompositionalFluidState< ScalarType, FluidSystem >::viscosity_ = {}

protected

◆ wPhaseIdx_

template<class ScalarType , class FluidSystem >

int Dumux::CompositionalFluidState< ScalarType, FluidSystem >::wPhaseIdx_ {0}

protected

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

compositional.hh

Public Types

Public Member Functions

Static Public Attributes

Protected Attributes

Member Typedef Documentation

◆ Scalar

Constructor & Destructor Documentation

◆ CompositionalFluidState() [1/4]

◆ CompositionalFluidState() [2/4]

◆ CompositionalFluidState() [3/4]

◆ CompositionalFluidState() [4/4]

Member Function Documentation

◆ assign()

◆ averageMolarMass()

◆ density()

◆ enthalpy()

◆ fugacity() [1/2]

◆ fugacity() [2/2]

◆ fugacityCoefficient()

◆ internalEnergy()

◆ massFraction()

◆ molarDensity()

◆ molarity()

◆ molarVolume()

◆ moleFraction()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ partialPressure()

◆ phaseMassFraction()

◆ pressure()

◆ saturation()

◆ setDensity()

◆ setEnthalpy()

◆ setFugacityCoefficient()

◆ setMassFraction()

◆ setMolarDensity()

◆ setMoleFraction()

◆ setPressure()

◆ setSaturation()

◆ setTemperature() [1/2]

◆ setTemperature() [2/2]

◆ setViscosity()

◆ setWettingPhase()

◆ temperature() [1/2]

◆ temperature() [2/2]

◆ viscosity()

◆ wettingPhase()

Member Data Documentation

◆ averageMolarMass_

◆ density_

◆ enthalpy_

◆ fugacityCoefficient_

◆ molarDensity_

◆ moleFraction_

◆ numComponents

◆ numPhases

◆ pressure_

◆ saturation_

◆ sumMoleFractions_

◆ temperature_

◆ viscosity_

◆ wPhaseIdx_