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
TThe new temperature (in units of K)
PThe 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
TThe new temperature (in units of K)
PThe new pressure (in units of Pa)
nThe new species amounts (in units of mol)

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