Reaktoro  v2.1.1
A unified framework for modeling chemically reactive systems
ChemicalPropsPhaseBase< TypeOp > Class Template Reference

The base type for chemical properties of a phase and its species. More...

#include <ChemicalPropsPhase.hpp>

Public Member Functions

 ChemicalPropsPhaseBase (const Phase &phase)
 Construct a ChemicalPropsPhaseBase instance.
 
 ChemicalPropsPhaseBase (const Phase &phase, const ChemicalPropsPhaseBaseData< TypeOp > &data)
 Construct a ChemicalPropsPhaseBase instance.
 
template<template< typename > typename OtherTypeOp>
 ChemicalPropsPhaseBase (ChemicalPropsPhaseBase< OtherTypeOp > &other)
 Construct a ChemicalPropsPhaseBase instance.
 
template<template< typename > typename OtherTypeOp>
 ChemicalPropsPhaseBase (const ChemicalPropsPhaseBase< OtherTypeOp > &other)
 Construct a ChemicalPropsPhaseBase instance.
 
auto update (const real &T, const real &P, ArrayXrConstRef n, Map< String, Any > &extra)
 Update the chemical properties of the phase. More...
 
auto updateIdeal (const real &T, const real &P, ArrayXrConstRef n, Map< String, Any > &extra)
 Update the chemical properties of the phase using ideal activity models. More...
 
auto updateWithData (const ChemicalPropsPhaseBaseData< TypeOp > &data)
 Update the chemical properties of the phase with given data.
 
auto phase () const -> const Phase &
 Return the underlying Phase object.
 
auto data () const -> const ChemicalPropsPhaseBaseData< TypeOp > &
 Return the primary chemical property data of the phase from which others are calculated.
 
auto stateOfMatter () const -> StateOfMatter
 Return the state of matter of the phase.
 
auto temperature () const -> real
 Return the temperature of the phase (in K).
 
auto pressure () const -> real
 Return the pressure of the phase (in Pa).
 
auto speciesAmounts () const -> ArrayXrConstRef
 Return the amounts of the species in the phase (in mol).
 
auto speciesMoleFractions () const -> ArrayXrConstRef
 Return the mole fractions of the species in the phase.
 
auto speciesActivityCoefficientsLn () const -> ArrayXrConstRef
 Return the ln activity coefficients of the species in the phase.
 
auto speciesActivitiesLn () const -> ArrayXrConstRef
 Return the ln activities of the species in the phase.
 
auto speciesChemicalPotentials () const -> ArrayXrConstRef
 Return the chemical potentials of the species in the phase (in J/mol).
 
auto speciesStandardVolumes () const -> ArrayXrConstRef
 Return the standard partial molar volumes of the species in the phase (in m³/mol).
 
auto speciesStandardVolumesT () const -> ArrayXrConstRef
 Return the temperature derivative of the standard molar volumes of the species in the phase (in m³/(mol·K)).
 
auto speciesStandardVolumesP () const -> ArrayXrConstRef
 Return the pressure derivative of the standard molar volumes of the species in the phase (in m³/(mol·K)).
 
auto speciesStandardGibbsEnergies () const -> ArrayXrConstRef
 Return the standard partial molar Gibbs energies of formation of the species in the phase (in J/mol).
 
auto speciesStandardEnthalpies () const -> ArrayXrConstRef
 Return the standard partial molar enthalpies of formation of the species in the phase (in J/mol).
 
auto speciesStandardEntropies () const -> ArrayXr
 Return the standard partial molar entropies of formation of the species in the phase (in J/(mol·K)).
 
auto speciesStandardInternalEnergies () const -> ArrayXr
 Return the standard partial molar internal energies of formation of the species in the phase (in J/mol).
 
auto speciesStandardHelmholtzEnergies () const -> ArrayXr
 Return the standard partial molar Helmholtz energies of formation of the species in the phase (in J/mol).
 
auto speciesStandardHeatCapacitiesConstP () const -> ArrayXrConstRef
 Return the standard partial molar isobaric heat capacities of the species in the phase (in J/(mol·K)).
 
auto speciesStandardHeatCapacitiesConstV () const -> ArrayXr
 Return the standard partial molar isochoric heat capacities of the species in the phase (in J/(mol·K)).
 
auto molarMass () const -> real
 Return the molar mass of the phase (in kg/mol).
 
auto molarVolume () const -> real
 Return the molar volume of the phase (in m³/mol).
 
auto molarVolumeT () const -> real
 Return the temperature derivative of the molar volume of the phase (in m³/(mol·K)).
 
auto molarVolumeP () const -> real
 Return the pressure derivative of the molar volume of the phase (in m³/(mol·Pa)).
 
auto molarGibbsEnergy () const -> real
 Return the molar Gibbs energy of formation of the phase (in J/mol).
 
auto molarEnthalpy () const -> real
 Return the molar enthalpy of formation of the phase (in J/mol).
 
auto molarEntropy () const -> real
 Return the molar entropy of formation of the phase (in J/(mol·K)).
 
auto molarInternalEnergy () const -> real
 Return the molar internal energy of formation of the phase (in J/mol).
 
auto molarHelmholtzEnergy () const -> real
 Return the molar Helmholtz energy of formation of the phase (in J/mol).
 
auto molarHeatCapacityConstP () const -> real
 Return the molar isobaric heat capacity of the phase (in J/(mol·K)).
 
auto molarHeatCapacityConstV () const -> real
 Return the molar isochoric heat capacity of the phase (in J/(mol·K)).
 
auto specificVolume () const -> real
 Return the specific volume of the phase (in m³/kg).
 
auto specificVolumeT () const -> real
 Return the temperature derivative of the specific volume of the phase (in m³/(kg·K)).
 
auto specificVolumeP () const -> real
 Return the pressure derivative of the specific volume of the phase (in m³/(kg·Pa)).
 
auto specificGibbsEnergy () const -> real
 Return the specific Gibbs energy of formation of the phase (in J/kg).
 
auto specificEnthalpy () const -> real
 Return the specific enthalpy of formation of the phase (in J/kg).
 
auto specificEntropy () const -> real
 Return the specific entropy of formation of the phase (in J/(kg·K)).
 
auto specificInternalEnergy () const -> real
 Return the specific internal energy of formation of the phase (in J/kg).
 
auto specificHelmholtzEnergy () const -> real
 Return the specific Helmholtz energy of formation of the phase (in J/kg).
 
auto specificHeatCapacityConstP () const -> real
 Return the specific isobaric heat capacity of the phase (in J/(kg·K)).
 
auto specificHeatCapacityConstV () const -> real
 Return the specific isochoric heat capacity of the phase (in J/(kg·K)).
 
auto density () const -> real
 Return the density of the phase (in kg/m³).
 
auto amount () const -> real
 Return the sum of species amounts in the phase (in mol).
 
auto mass () const -> real
 Return the sum of species masses in the phase (in kg).
 
auto volume () const -> real
 Return the volume of the phase (in m³).
 
auto volumeT () const -> real
 Return the temperature derivative of the volume of the phase (in m³/K).
 
auto volumeP () const -> real
 Return the pressure derivative of the volume of the phase (in m³/Pa).
 
auto gibbsEnergy () const -> real
 Return the Gibbs energy of the phase (in J).
 
auto enthalpy () const -> real
 Return the enthalpy of the phase (in J).
 
auto entropy () const -> real
 Return the entropy of the phase (in J/K).
 
auto internalEnergy () const -> real
 Return the internal energy of the phase (in J).
 
auto helmholtzEnergy () const -> real
 Return the Helmholtz energy of the phase (in J).
 
auto heatCapacityConstP () const -> real
 Return the isobaric heat capacity of the phase (in J/K).
 
auto heatCapacityConstV () const -> real
 Return the isochoric heat capacity of the phase (in J/K).
 
auto soundSpeed () const -> real
 Return the speed of sound in the phase (in m/s).
 
auto operator= (const ArrayStream< real > &array)
 Assign the given array data to this ChemicalPropsPhaseBase object.
 
 operator ArrayStream< real > () const
 Convert this ChemicalPropsPhaseBase object into an array.
 

Detailed Description

template<template< typename > typename TypeOp>
class Reaktoro::ChemicalPropsPhaseBase< TypeOp >

The base type for chemical properties of a phase and its species.

Member Function Documentation

◆ update()

auto update ( const real T,
const real P,
ArrayXrConstRef  n,
Map< String, Any > &  extra 
)
inline

Update the chemical properties of the phase.

Parameters
TThe temperature condition (in K)
PThe pressure condition (in Pa)
nThe amounts of the species in the phase (in mol)
extraThe extra properties evaluated in the activity models

◆ updateIdeal()

auto updateIdeal ( const real T,
const real P,
ArrayXrConstRef  n,
Map< String, Any > &  extra 
)
inline

Update the chemical properties of the phase using ideal activity models.

Parameters
TThe temperature condition (in K)
PThe pressure condition (in Pa)
nThe amounts of the species in the phase (in mol)
extraThe extra properties evaluated in the activity models

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