ChemicalModelResult Class Reference

The result of a chemical model function that calculates the chemical properties of species. More...

#include <ChemicalModel.hpp>

Public Member Functions
	ChemicalModelResult ()
	Construct a default ChemicalModelResultBase instance.
	ChemicalModelResult (Index nphases, Index nspecies)
	Construct a ChemicalModelResultBase instance with allocated memory. More...
auto	resize (Index nphases, Index nspecies) -> void
	Resize this ChemicalModelResultBase with a given number of species. More...
auto	phaseProperties (Index iphase, Index ispecies, Index nspecies) -> PhaseChemicalModelResult
	Return a view of the chemical properties of a phase. More...
auto	phaseProperties (Index iphase, Index ispecies, Index nspecies) const -> PhaseChemicalModelResultConst
	Return a view of the chemical properties of a phase. More...
auto	lnActivityCoefficients () -> ChemicalVectorRef
	Return the natural log of the activity coefficients of the species.
auto	lnActivityCoefficients () const -> ChemicalVectorConstRef
	Return the natural log of the activity coefficients of the species.
auto	lnActivities () -> ChemicalVectorRef
	Return the natural log of the activities of the species.
auto	lnActivities () const -> ChemicalVectorConstRef
	Return the natural log of the activities of the species.
auto	partialMolarVolumes () -> ChemicalVectorRef
	Return the partial molar volume of species each phase (in units of m3/mol).
auto	partialMolarVolumes () const -> ChemicalVectorConstRef
	Return the partial molar volume of species each phase (in units of m3/mol).
auto	phaseMolarVolumes () -> ChemicalVectorRef
	Return the molar volumes of the phases (in units of m3/mol).
auto	phaseMolarVolumes () const -> ChemicalVectorConstRef
	Return the molar volumes of the phases (in units of m3/mol).
auto	phaseResidualMolarGibbsEnergies () -> ChemicalVectorRef
	Return the residual molar Gibbs energies of the phases w.r.t. to its ideal state (in units of J/mol).
auto	phaseResidualMolarGibbsEnergies () const -> ChemicalVectorConstRef
	Return the residual molar Gibbs energies of the phases w.r.t. to its ideal state (in units of J/mol).
auto	phaseResidualMolarEnthalpies () -> ChemicalVectorRef
	Return the residual molar enthalpies of the phases w.r.t. to its ideal state (in units of J/mol).
auto	phaseResidualMolarEnthalpies () const -> ChemicalVectorConstRef
	Return the residual molar enthalpies of the phases w.r.t. to its ideal state (in units of J/mol).
auto	phaseResidualMolarHeatCapacitiesCp () -> ChemicalVectorRef
	Return the residual molar isobaric heat capacities of the phases w.r.t. to its ideal state (in units of J/(mol*K)).
auto	phaseResidualMolarHeatCapacitiesCp () const -> ChemicalVectorConstRef
	Return the residual molar isobaric heat capacities of the phases w.r.t. to its ideal state (in units of J/(mol*K)).
auto	phaseResidualMolarHeatCapacitiesCv () -> ChemicalVectorRef
	Return the residual molar isochoric heat capacities of the phases w.r.t. to its ideal state (in units of J/(mol*K)).
auto	phaseResidualMolarHeatCapacitiesCv () const -> ChemicalVectorConstRef
	Return the residual molar isochoric heat capacities of the phases w.r.t. to its ideal state (in units of J/(mol*K)).

Detailed Description

The result of a chemical model function that calculates the chemical properties of species.

Constructor & Destructor Documentation

ChemicalModelResult()

ChemicalModelResult	(	Index	nphases,
		Index	nspecies
	)

Construct a ChemicalModelResultBase instance with allocated memory.

Parameters

nphases	The number of phases in the chemical system.
nspecies	The number of species in the chemical system.

Member Function Documentation

resize()

auto resize	(	Index	nphases,
		Index	nspecies
	)		-> void

Resize this ChemicalModelResultBase with a given number of species.

Parameters

nphases	The number of phases in the chemical system.
nspecies	The number of species in the chemical system.

phaseProperties() [1/2]

auto phaseProperties	(	Index	iphase,
		Index	ispecies,
		Index	nspecies
	)		-> PhaseChemicalModelResult

Return a view of the chemical properties of a phase.

Parameters

iphase	The index of the phase.
ispecies	The index of the first species in the phase.
nspecies	The number of species in the phase.

phaseProperties() [2/2]

auto phaseProperties	(	Index	iphase,
		Index	ispecies,
		Index	nspecies
	)		const -> PhaseChemicalModelResultConst

Return a view of the chemical properties of a phase.

Parameters

iphase	The index of the phase.
ispecies	The index of the first species in the phase.
nspecies	The number of species in the phase.

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

• Reaktoro/Thermodynamics/Models/ChemicalModel.hpp
• Reaktoro/Thermodynamics/Models/ChemicalModel.cpp