Dumux::CompositionalFluidState< ScalarType, FluidSystem > Class Template Reference

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 $[-]$. More...
Scalar	moleFraction (int phaseIdx, int compIdx) const
	Returns the molar fraction $x_{\alpha }^{\kappa }$ of the component $\kappa$ in fluid phase $\alpha$ in $[-]$. More...
Scalar	massFraction (int phaseIdx, int compIdx) const
	Returns the mass fraction $X_{\alpha }^{\kappa }$ of component $\kappa$ in fluid phase $\alpha$ in $[-]$. More...
Scalar	phaseMassFraction (int phaseIdx) const
	Returns the phase mass fraction, i.e. phase mass per total mass $[\mathrm{kg}/\mathrm{kg}]$. More...
Scalar	averageMolarMass (int phaseIdx) const
	The average molar mass ${\bar{M}}_{\alpha }$ of phase $\alpha$ in $[\mathrm{kg}/\mathrm{mol}]$. More...
Scalar	molarity (int phaseIdx, int compIdx) const
	The molar concentration $c_{\alpha }^{\kappa }$ of component $\kappa$ in fluid phase $\alpha$ in $[\mathrm{mol}/{\mathrm{m}}^3]$. More...
Scalar	fugacity (int phaseIdx, int compIdx) const
	The fugacity $f_{\alpha }^{\kappa }$ of component $\kappa$ in fluid phase $\alpha$ in $[\mathrm{Pa}]$. More...
Scalar	fugacityCoefficient (int phaseIdx, int compIdx) const
	The fugacity coefficient ${\mathrm{\Phi }}_{\alpha }^{\kappa }$ of component $\kappa$ in fluid phase $\alpha$ in $[-]$. More...
Scalar	molarVolume (int phaseIdx) const
	The molar volume $v_{mol,\alpha }$ of a fluid phase $\alpha$ in $[{\mathrm{m}}^3/\mathrm{mol}]$. More...
Scalar	density (int phaseIdx) const
	The mass density ${\rho }_{\alpha }$ of the fluid phase $\alpha$ in $[\mathrm{kg}/{\mathrm{m}}^3]$. More...
Scalar	molarDensity (int phaseIdx) const
	The molar density ${\rho }_{\alpha }$ of the fluid phase $\alpha$ in $[\mathrm{mol}/{\mathrm{m}}^3]$. 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 $[\mathrm{J}/\mathrm{kg}]$. More...
Scalar	internalEnergy (int phaseIdx) const
	The specific internal energy $u_{\alpha }$ of a fluid phase $\alpha$ in $[\mathrm{J}/\mathrm{kg}]$. More...
Scalar	viscosity (int phaseIdx) const
	The dynamic viscosity ${\mu }_{\alpha }$ of fluid phase $\alpha$ in $[\mathrm{Pa}\mathrm{s}]$. 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 $[-]$. More...
void	setMoleFraction (int phaseIdx, int compIdx, Scalar value)
	Set the mole fraction of a component in a phase $[-]$ and update the average molar mass $[\mathrm{kg}/\mathrm{mol}]$ 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 $[-]$ and update the average molar mass $[\mathrm{kg}/\mathrm{mol}]$ according to the current composition of the phase. More...
void	setFugacityCoefficient (int phaseIdx, int compIdx, Scalar value)
	Set the fugacity coefficient ${\mathrm{\Phi }}_{\alpha }^{\kappa }$ of component $\kappa$ in fluid phase $\alpha$ in $[-]$. More...
void	setDensity (int phaseIdx, Scalar value)
	Set the density of a phase $[\mathrm{kg}/{\mathrm{m}}^3]$. More...
void	setMolarDensity (int phaseIdx, Scalar value)
	Set the molar density of a phase $[\mathrm{mol}/{\mathrm{m}}^3]$. More...
void	setEnthalpy (int phaseIdx, Scalar value)
	Set the specific enthalpy of a phase $[\mathrm{J}/\mathrm{kg}]$. More...
void	setViscosity (int phaseIdx, Scalar value)
	Set the dynamic viscosity of a phase $[\mathrm{Pa}\mathrm{s}]$. 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 )

inlineexplicit

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:

$${\bar{\mathrm{M}}}_{\alpha }=\sum _{\kappa }{\mathrm{M}}^{\kappa }{\mathrm{x}}_{\alpha }^{\kappa }$$

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: $f_{\alpha }^{\kappa }:={\mathrm{\Phi }}_{\alpha }^{\kappa }{x}_{\alpha }^{\kappa }{p}_{\alpha },$ where ${\mathrm{\Phi }}_{\alpha }^{\kappa }$ is the fugacity coefficient [76] . The physical meaning of fugacity becomes clear from the equation:

$$f_{\alpha }^{\kappa }=p_{\alpha }\exp \left\{\frac{{\zeta }_{\alpha }^{\kappa }}{R{T}_{\alpha }}\right\},$$

where ${\zeta }_{\alpha }^{\kappa }$ 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 ${\zeta }_{\alpha }^{\kappa }$ and its fugacity $f_{\alpha }^{\kappa }$. In this case chemical equilibrium can thus be expressed by:

$$f^{\kappa }:=f_{\alpha }^{\kappa }=f_{\beta }^{\kappa }\mathrm{\forall }\alpha ,\beta$$

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 $X_{\alpha }^{\kappa }$ 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

$$X_{\alpha }^{\kappa }=x_{\alpha }^{\kappa }\frac{M^{\kappa }}{{\bar{M}}_{\alpha }},$$

where $M^{\kappa }$ is the molar mass of component $\kappa$ and ${\bar{M}}_{\alpha }$ 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 $x_{\alpha }^{\kappa }$ 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:

$$S_{\alpha }:=\frac{\varphi {\mathcal{V}}_{\alpha }}{\varphi \mathcal{V}}$$

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