Reaktoro A unified framework for modeling chemically reactive systems
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 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.

## ◆ 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.

## ◆ 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.

The documentation for this class was generated from the following files:
• Reaktoro/Thermodynamics/Models/ChemicalModel.hpp
• Reaktoro/Thermodynamics/Models/ChemicalModel.cpp