Represents all relevant thermodynamic quantities of a multi-phase, multi-component fluid system without using any assumptions. More...

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

Inheritance diagram for Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >:

Description

template<class ScalarType, class FluidSystem>
class Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >

Represents all relevant thermodynamic quantities of a multi-phase, multi-component fluid system without using any assumptions.

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

Public Member Functions
int	wettingPhase () const
	Returns the index of the 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	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	fugacityCoefficient (int phaseIdx, int compIdx) const
	The fugacity coefficient \(\Phi^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\). 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	fugacity (int compIdx) const

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 \(\rho_{mol,\alpha}\) of a fluid phase \(\alpha\) in \(\mathrm{[mol/m^3]}\). More...

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

Scalar	temperature () const
	Get the equilibrium temperature \(\mathrm{[K]}\) of the fluid phases. 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...

void	setTemperature (int phaseIdx, Scalar value)
	Set the temperature \(\mathrm{[K]}\) of a fluid phase. More...

void	setTemperature (Scalar value)
	Set the temperature \(\mathrm{[K]}\) of all fluid phases. 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 \(\mathrm{[-]}\). 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 of a component in a phase \(\mathrm{[-]}\). 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 \(\mathrm{[kg / m^3]}\). More...

void	setEnthalpy (int phaseIdx, Scalar value)
	Set the specific enthalpy of a phase \(\mathrm{[J/m^3]}\). 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 wetting phase. More...

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

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

static constexpr int	numComponents = FluidSystem::numComponents

Protected Attributes
Scalar	moleFraction_ [numPhases][numComponents] = {}

Scalar	fugacityCoefficient_ [numPhases][numComponents] = {}

Scalar	averageMolarMass_ [numPhases] = {}

Scalar	sumMoleFractions_ [numPhases] = {}

Scalar	pressure_ [numPhases] = {}

Scalar	saturation_ [numPhases] = {}

Scalar	density_ [numPhases] = {}

Scalar	molarDensity_ [numPhases] = {}

Scalar	enthalpy_ [numPhases] = {}

Scalar	viscosity_ [numPhases] = {}

Scalar	temperature_ [numPhases] = {}

Scalar	temperatureEquil_ = 0.0

int	wPhaseIdx_ {0}

Member Typedef Documentation

◆ Scalar

template<class ScalarType , class FluidSystem >

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

export the scalar type

Member Function Documentation

◆ assign()

template<class ScalarType , class FluidSystem >

template<class FluidState >

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

inline

Retrieve all parameters from an arbitrary fluid state.

Parameters

fs	Fluidstate

◆ averageMolarMass()

template<class ScalarType , class FluidSystem >

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

inline

The average molar mass \(\overline M_\alpha\) of phase \(\alpha\) in \(\mathrm{[kg/mol]}\).

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::NonEquilibriumFluidState< ScalarType, FluidSystem >::density ( int phaseIdx ) const

inline

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

◆ enthalpy()

template<class ScalarType , class FluidSystem >

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

inline

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

◆ fugacity() [1/2]

template<class ScalarType , class FluidSystem >

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

inline

◆ fugacity() [2/2]

template<class ScalarType , class FluidSystem >

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

inline

The fugacity \(f^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[Pa]}\).

The fugacity is defined as: \(f_\alpha^\kappa := \Phi^\kappa_\alpha x^\kappa_\alpha p_\alpha \;,\) where \(\Phi^\kappa_\alpha\) is the fugacity coefficient [59] . 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::NonEquilibriumFluidState< ScalarType, FluidSystem >::fugacityCoefficient	(	int	phaseIdx,
		int	compIdx
	)		const

inline

The fugacity coefficient \(\Phi^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\).

◆ internalEnergy()

template<class ScalarType , class FluidSystem >

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

inline

The specific internal energy \(u_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[J/kg]}\).

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::NonEquilibriumFluidState< ScalarType, FluidSystem >::massFraction	(	int	phaseIdx,
		int	compIdx
	)		const

inline

Returns the mass fraction \(X^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\).

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::NonEquilibriumFluidState< ScalarType, FluidSystem >::molarDensity ( int phaseIdx ) const

inline

The molar density \(\rho_{mol,\alpha}\) of a fluid phase \(\alpha\) in \(\mathrm{[mol/m^3]}\).

The molar density is defined by the mass density \(\rho_\alpha\) and the mean molar mass \(\overline M_\alpha\):

\[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\]

◆ molarity()

template<class ScalarType , class FluidSystem >

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

inline

The molar concentration \(c^\kappa_\alpha\) of component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[mol/m^3]}\).

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::NonEquilibriumFluidState< ScalarType, FluidSystem >::molarVolume ( int phaseIdx ) const

inline

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

This quantity is the inverse of the molar density.

◆ moleFraction()

template<class ScalarType , class FluidSystem >

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

inline

Returns the molar fraction \(x^\kappa_\alpha\) of the component \(\kappa\) in fluid phase \(\alpha\) in \(\mathrm{[-]}\).

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

◆ partialPressure()

template<class ScalarType , class FluidSystem >

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

inline

The partial pressure of a component in a phase \(\mathrm{[Pa]}\).

Todo:: is this needed?

◆ pressure()

template<class ScalarType , class FluidSystem >

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

inline

The pressure \(p_\alpha\) of a fluid phase \(\alpha\) in \(\mathrm{[Pa]}\).

◆ saturation()

template<class ScalarType , class FluidSystem >

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

inline

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

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::NonEquilibriumFluidState< ScalarType, FluidSystem >::setDensity	(	int	phaseIdx,
		Scalar	value
	)

inline

Set the density of a phase \(\mathrm{[kg / m^3]}\).

◆ setEnthalpy()

template<class ScalarType , class FluidSystem >

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

inline

Set the specific enthalpy of a phase \(\mathrm{[J/m^3]}\).

◆ setFugacityCoefficient()

template<class ScalarType , class FluidSystem >

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

inline

Set the fugacity of a component in a phase \(\mathrm{[-]}\).

◆ setMassFraction()

template<class ScalarType , class FluidSystem >

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

inline

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.

◆ setMolarDensity()

template<class ScalarType , class FluidSystem >

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

inline

Set the molar density of a phase \(\mathrm{[kg / m^3]}\).

◆ setMoleFraction()

template<class ScalarType , class FluidSystem >

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

inline

Set the mole fraction of a component in a phase \(\mathrm{[-]}\).

◆ setPressure()

template<class ScalarType , class FluidSystem >

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

inline

Set the fluid pressure of a phase \(\mathrm{[Pa]}\).

◆ setSaturation()

template<class ScalarType , class FluidSystem >

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

inline

Set the saturation of a phase \(\mathrm{[-]}\).

◆ setTemperature() [1/2]

template<class ScalarType , class FluidSystem >

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

inline

Set the temperature \(\mathrm{[K]}\) of a fluid phase.

◆ setTemperature() [2/2]

template<class ScalarType , class FluidSystem >

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

inline

Set the temperature \(\mathrm{[K]}\) of all fluid phases.

◆ setViscosity()

template<class ScalarType , class FluidSystem >

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

inline

Set the dynamic viscosity of a phase \(\mathrm{[Pa s]}\).

◆ setWettingPhase()

template<class ScalarType , class FluidSystem >

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

inline

Set the index of the wetting phase.

◆ temperature() [1/2]

template<class ScalarType , class FluidSystem >

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

inline

Get the equilibrium temperature \(\mathrm{[K]}\) of the fluid phases.

◆ temperature() [2/2]

template<class ScalarType , class FluidSystem >

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

inline

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

◆ viscosity()

template<class ScalarType , class FluidSystem >

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

inline

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

◆ wettingPhase()

template<class ScalarType , class FluidSystem >

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

inline

Returns the index of the wetting phase in the fluid-solid configuration (for porous medium systems).

Member Data Documentation

◆ averageMolarMass_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::averageMolarMass_[numPhases] = {}

protected

◆ density_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::density_[numPhases] = {}

protected

◆ enthalpy_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::enthalpy_[numPhases] = {}

protected

◆ fugacityCoefficient_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::fugacityCoefficient_[numPhases][numComponents] = {}

protected

◆ molarDensity_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::molarDensity_[numPhases] = {}

protected

◆ moleFraction_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::moleFraction_[numPhases][numComponents] = {}

protected

◆ numComponents

template<class ScalarType , class FluidSystem >

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

staticconstexpr

◆ numPhases

template<class ScalarType , class FluidSystem >

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

staticconstexpr

◆ pressure_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::pressure_[numPhases] = {}

protected

◆ saturation_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::saturation_[numPhases] = {}

protected

◆ sumMoleFractions_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::sumMoleFractions_[numPhases] = {}

protected

◆ temperature_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::temperature_[numPhases] = {}

protected

◆ temperatureEquil_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::temperatureEquil_ = 0.0

protected

◆ viscosity_

template<class ScalarType , class FluidSystem >

Scalar Dumux::NonEquilibriumFluidState< ScalarType, FluidSystem >::viscosity_[numPhases] = {}

protected

◆ wPhaseIdx_

template<class ScalarType , class FluidSystem >

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

protected

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

nonequilibrium.hh

Description

Public Types

Public Member Functions

Static Public Attributes

Protected Attributes

Member Typedef Documentation

◆ Scalar

Member Function Documentation

◆ assign()

◆ averageMolarMass()

◆ density()

◆ enthalpy()

◆ fugacity() [1/2]

◆ fugacity() [2/2]

◆ fugacityCoefficient()

◆ internalEnergy()

◆ massFraction()

◆ molarDensity()

◆ molarity()

◆ molarVolume()

◆ moleFraction()

◆ partialPressure()

◆ 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_

◆ temperatureEquil_

◆ viscosity_

◆ wPhaseIdx_