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.

## ◆ update()

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

Update the chemical properties of the phase.

Parameters
 T The temperature condition (in K) P The pressure condition (in Pa) n The amounts of the species in the phase (in mol) extra The 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
 T The temperature condition (in K) P The pressure condition (in Pa) n The amounts of the species in the phase (in mol) extra The extra properties evaluated in the activity models

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