Reaktoro  v2.1.1 A unified framework for modeling chemically reactive systems
ThermoProps Class Reference

The standard thermodynamic properties of the species in a chemical system. More...

#include <ThermoProps.hpp>

## Public Member Functions

ThermoProps (const ChemicalSystem &system)
Construct a ThermoProps object.

ThermoProps (const ThermoProps &other)
Construct a copy of a ThermoProps object.

~ThermoProps ()
Destroy this ThermoProps object.

auto operator= (ThermoProps other) -> ThermoProps &
Assign a ThermoProps object to this.

auto update (const real &T, const real &P) -> void
Update the standard thermodynamic properties of the species in the chemical system. More...

auto update (const real &T, const real &P, Wrt< real & > wrtvar) -> void
Update the standard thermodynamic properties of the species in the chemical system. More...

auto system () const -> const ChemicalSystem &
Return the chemical system associated with these standard thermodynamic properties.

auto phaseProps (Index idx) const -> ThermoPropsPhaseConstRef
Return the standard thermodynamic properties of a phase with given index.

auto temperature () const -> const real &
Return the temperature of the system (in K).

auto pressure () const -> const real &
Return the pressure of the system (in Pa).

auto speciesStandardVolumes () const -> ArrayXrConstRef
Return the standard partial molar volumes of the species in the system (in m3/mol).

auto speciesStandardVolumesT () const -> ArrayXrConstRef
Return the temperature derivative of the standard partial molar volumes of the species in the system (in m³/(mol·K)).

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

auto speciesStandardGibbsEnergies () const -> ArrayXrConstRef
Return the standard partial molar Gibbs energies of formation of the species in the system (in J/mol).

auto speciesStandardEnthalpies () const -> ArrayXrConstRef
Return the standard partial molar enthalpies of formation of the species in the system (in J/mol).

auto speciesStandardEntropies () const -> ArrayXr
Return the standard partial molar entropies of formation of the species in the system (in J/(mol*K)).

auto speciesStandardInternalEnergies () const -> ArrayXr
Return the standard partial molar internal energies of formation of the species in the system (in J/mol).

auto speciesStandardHelmholtzEnergies () const -> ArrayXr
Return the standard partial molar Helmholtz energies of formation of the species in the system (in J/mol).

auto speciesStandardHeatCapacitiesConstP () const -> ArrayXrConstRef
Return the standard partial molar isobaric heat capacities of the species in the system (in J/(mol*K)).

auto speciesStandardHeatCapacitiesConstV () const -> ArrayXrConstRef
Return the standard partial molar isochoric heat capacities of the species in the system (in J/(mol*K)).

## Detailed Description

The standard thermodynamic properties of the species in a chemical system.

## ◆ update() [1/2]

 auto update ( const real & T, const real & P ) -> void

Update the standard thermodynamic properties of the species in the chemical system.

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 ) -> void

Update the standard thermodynamic properties of the species in the chemical system.

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: