version 3.8
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
 
CompositionalFluidStateoperator= (const CompositionalFluidState &fs)=default
 
CompositionalFluidStateoperator= (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...
 
template<class FluidState >
void setRelativeHumidity (FluidState &fluidState, int phaseIdx, int compIdx, Scalar value)
 Set the relative humidity 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 >, numPhasesmoleFraction_ = {}
 zero-initialize all data members with braces syntax More...
 
std::array< std::array< Scalar, numComponents >, numPhasesfugacityCoefficient_ = {}
 
std::array< Scalar, numPhasesaverageMolarMass_ = {}
 
std::array< Scalar, numPhasessumMoleFractions_ = {}
 
std::array< Scalar, numPhasespressure_ = {}
 
std::array< Scalar, numPhasessaturation_ = {}
 
std::array< Scalar, numPhasesdensity_ = {}
 
std::array< Scalar, numPhasesmolarDensity_ = {}
 
std::array< Scalar, numPhasesenthalpy_ = {}
 
std::array< Scalar, numPhasesviscosity_ = {}
 
std::array< Scalar, numPhasestemperature_ = {}
 
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 [70] . 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
phaseIdxthe index of the phase
compIdxthe 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
phaseIdxthe index of the phase
compIdxthe 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
phaseIdxthe 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
phaseIdxthe 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

◆ setRelativeHumidity()

template<class ScalarType , class FluidSystem >
template<class FluidState >
void Dumux::CompositionalFluidState< ScalarType, FluidSystem >::setRelativeHumidity ( FluidState &  fluidState,
int  phaseIdx,
int  compIdx,
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: