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

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

#include <ThermoPropsPhase.hpp>

Public Member Functions

ThermoPropsPhaseBase (const Phase &phase)
Construct a ThermoPropsPhaseBase instance.

ThermoPropsPhaseBase (const Phase &phase, const ThermoPropsPhaseBaseData< TypeOp > &data)
Construct a ThermoPropsPhaseBase instance.

template<template< typename > typename OtherTypeOp>
ThermoPropsPhaseBase (ThermoPropsPhaseBase< OtherTypeOp > &other)
Construct a ThermoPropsPhaseBase instance.

template<template< typename > typename OtherTypeOp>
ThermoPropsPhaseBase (const ThermoPropsPhaseBase< OtherTypeOp > &other)
Construct a ThermoPropsPhaseBase instance.

auto update (const real &T, const real &P)
Update the standard thermodynamic properties of the phase. More...

auto update (const real &T, const real &P, Wrt< real & > wrtvar)
Update the standard thermodynamic properties of the phase. More...

auto phase () const -> const Phase &
Return the underlying Phase object.

auto data () const -> const ThermoPropsPhaseBaseData< TypeOp > &
Return the primary standard thermodynamic property data of the phase from which others are calculated.

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 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 partial molar volumes of the species in the phase (in m³/(mol·K)).

auto speciesStandardVolumesP () const -> ArrayXrConstRef
Return the pressure derivative of the standard partial molar volumes of the species in the phase (in m³/(mol·Pa)).

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 -> ArrayXrConstRef
Return the standard partial molar isochoric heat capacities of the species in the phase (in J/(mol·K)).

auto operator= (const ArrayStream< real > &array)
Assign the given array data to this ThermoPropsPhaseBase object.

operator ArrayStream< real > () const
Convert this ThermoPropsPhaseBase object into an array.

Detailed Description

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

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

◆ update() [1/2]

 auto update ( const real & T, const real & P )
inline

Update the standard thermodynamic properties of the phase.

Parameters
 T The temperature condition (in K) P The pressure condition (in Pa)

◆ update() [2/2]

 auto update ( const real & T, const real & P, Wrt< real & > wrtvar )
inline

Update the standard thermodynamic properties of the phase.

Parameters
 T The temperature condition (in K) P The pressure condition (in Pa) wrtvar The variable with respect to automatic differentiation should be carried out.

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