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.

Constructor & Destructor Documentation

◆ ChemicalModelResult()

ChemicalModelResult ( Index  nphases,
Index  nspecies 
)

Construct a ChemicalModelResultBase instance with allocated memory.

Parameters
nphasesThe number of phases in the chemical system.
nspeciesThe 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
nphasesThe number of phases in the chemical system.
nspeciesThe 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
iphaseThe index of the phase.
ispeciesThe index of the first species in the phase.
nspeciesThe 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
iphaseThe index of the phase.
ispeciesThe index of the first species in the phase.
nspeciesThe 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