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

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.

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

• Reaktoro/Core/ThermoProps.hpp