Reaktoro  v2.0.0
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.

Member Function Documentation

◆ 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
TThe temperature condition (in K)
PThe 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
TThe temperature condition (in K)
PThe pressure condition (in Pa)
wrtvarThe variable with respect to automatic differentiation should be carried out.

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