Reaktoro  A unified framework for modeling chemically reactive systems
Reaktoro::PhaseChemicalProperties Class Reference

## Detailed Description

Defines a class for querying thermodynamic and chemical properties of a phase.

#include <PhaseChemicalProperties.hpp>

## Public Member Functions

PhaseChemicalProperties ()
Construct a default PhaseChemicalProperties instance.

PhaseChemicalProperties (const Phase &phase)
Construct a PhaseChemicalProperties instance with given Phase instance.

PhaseChemicalProperties (const PhaseChemicalProperties &other)
Construct a copy of a PhaseChemicalProperties instance.

virtual ~PhaseChemicalProperties ()
Destroy this instance.

auto operator= (PhaseChemicalProperties other) -> PhaseChemicalProperties &
Construct a copy of a PhaseChemicalProperties instance.

auto update (double T, double P) -> void
Update the thermodynamic properties of the phase. More...

auto update (double T, double P, const Vector &n) -> void
Update the chemical properties of the phase. More...

auto temperature () const -> double
Return the temperature of the phase (in units of K).

auto pressure () const -> double
Return the pressure of the phase (in units of Pa).

auto composition () const -> const Vector &
Return the amounts of the species of the phase (in units of mol).

auto molarFractions () const -> ChemicalVector
Return the molar fractions of the species.

auto lnActivityCoefficients () const -> ChemicalVector
Return the ln activity coefficients of the species.

auto lnActivityConstants () const -> ThermoVector
Return the ln activity constants of the species.

auto lnActivities () const -> ChemicalVector
Return the ln activities of the species.

auto chemicalPotentials () const -> ChemicalVector
Return the chemical potentials of the species (in units of J/mol).

auto standardPartialMolarGibbsEnergies () const -> ThermoVector
Return the standard partial molar Gibbs energies of the species (in units of J/mol).

auto standardPartialMolarEnthalpies () const -> ThermoVector
Return the standard partial molar enthalpies of the species (in units of J/mol).

auto standardPartialMolarVolumes () const -> ThermoVector
Return the standard partial molar volumes of the species (in units of m3/mol).

auto standardPartialMolarEntropies () const -> ThermoVector
Return the standard partial molar entropies of the species (in units of J/(mol*K)).

auto standardPartialMolarInternalEnergies () const -> ThermoVector
Return the standard partial molar internal energies of the species (in units of J/mol).

auto standardPartialMolarHelmholtzEnergies () const -> ThermoVector
Return the standard partial molar Helmholtz energies of the species (in units of J/mol).

auto standardPartialMolarHeatCapacitiesConstP () const -> ThermoVector
Return the standard partial molar isobaric heat capacities of the species (in units of J/(mol*K)).

auto standardPartialMolarHeatCapacitiesConstV () const -> ThermoVector
Return the standard partial molar isochoric heat capacities of the species (in units of J/(mol*K)).

auto molarGibbsEnergy () const -> ChemicalScalar
Return the molar Gibbs energy of the phase (in units of J/mol).

auto molarEnthalpy () const -> ChemicalScalar
Return the molar enthalpy of the phase (in units of J/mol).

auto molarVolume () const -> ChemicalScalar
Return the molar volume of the phase (in units of m3/mol).

auto molarEntropy () const -> ChemicalScalar
Return the molar entropy of the phase (in units of J/(mol*K)).

auto molarInternalEnergy () const -> ChemicalScalar
Return the molar internal energy of the phase (in units of J/mol).

auto molarHelmholtzEnergy () const -> ChemicalScalar
Return the molar Helmholtz energy of the phase (in units of J/mol).

auto molarHeatCapacityConstP () const -> ChemicalScalar
Return the molar isobaric heat capacity of the phase (in units of J/(mol*K)).

auto molarHeatCapacityConstV () const -> ChemicalScalar
Return the molar isochoric heat capacity of the phase (in units of J/(mol*K)).

auto specificGibbsEnergy () const -> ChemicalScalar
Return the specific Gibbs energy of the phase (in units of J/kg).

auto specificEnthalpy () const -> ChemicalScalar
Return the specific enthalpy of the phase (in units of J/kg).

auto specificVolume () const -> ChemicalScalar
Return the specific volume of the phase (in units of m3/kg).

auto specificEntropy () const -> ChemicalScalar
Return the specific entropy of the phase (in units of J/(kg*K)).

auto specificInternalEnergy () const -> ChemicalScalar
Return the specific internal energy of the phase (in units of J/kg).

auto specificHelmholtzEnergy () const -> ChemicalScalar
Return the specific Helmholtz energy of the phase (in units of J/kg).

auto specificHeatCapacityConstP () const -> ChemicalScalar
Return the specific isobaric heat capacity of the phase (in units of J/(kg*K)).

auto specificHeatCapacityConstV () const -> ChemicalScalar
Return the specific isochoric heat capacity of the phase (in units of J/(kg*K)).

auto density () const -> ChemicalScalar
Return the density of the phase (in units of kg/m3).

auto mass () const -> ChemicalScalar
Return the mass of the phase (in units of kg).

auto amount () const -> ChemicalScalar
Return the amount of the phase (in units of mol).

auto volume () const -> ChemicalScalar
Return the volume of the phase (in units of m3).

## Member Function Documentation

 auto Reaktoro::PhaseChemicalProperties::update ( double T, double P ) -> void

Update the thermodynamic properties of the phase.

Parameters
 T The new temperature (in units of K) P The new pressure (in units of Pa)
 auto Reaktoro::PhaseChemicalProperties::update ( double T, double P, const Vector & n ) -> void

Update the chemical properties of the phase.

Parameters
 T The new temperature (in units of K) P The new pressure (in units of Pa) n The new species amounts (in units of mol)

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