Reaktoro
A unified framework for modeling chemically reactive systems
ThermoModelResult Class Reference

The result of a thermodynamic model function that calculates standard thermodynamic properties of species. More...

#include <ThermoModel.hpp>

Public Member Functions

 ThermoModelResult ()
 Construct a default ThermoModelResult instance.
 
 ThermoModelResult (Index nphases, Index nspecies)
 Construct a ThermoModelResult instance with allocated memory. More...
 
auto resize (Index nphases, Index nspecies) -> void
 Resize this ThermoModelResult with a given number of species. More...
 
auto phaseProperties (Index iphase, Index ispecies, Index nspecies) -> PhaseThermoModelResult
 Return a view of the thermodynamic properties of a phase. More...
 
auto phaseProperties (Index iphase, Index ispecies, Index nspecies) const -> PhaseThermoModelResultConst
 Return a view of the thermodynamic properties of a phase. More...
 
auto standardPartialMolarGibbsEnergies () -> ThermoVectorRef
 The standard partial molar Gibbs energies of the species (in units of J/mol).
 
auto standardPartialMolarGibbsEnergies () const -> ThermoVectorConstRef
 The standard partial molar Gibbs energies of the species (in units of J/mol).
 
auto standardPartialMolarEnthalpies () -> ThermoVectorRef
 The standard partial molar enthalpies of the species (in units of J/mol).
 
auto standardPartialMolarEnthalpies () const -> ThermoVectorConstRef
 The standard partial molar enthalpies of the species (in units of J/mol).
 
auto standardPartialMolarVolumes () -> ThermoVectorRef
 The standard partial molar volumes of the species (in units of m3/mol).
 
auto standardPartialMolarVolumes () const -> ThermoVectorConstRef
 The standard partial molar volumes of the species (in units of m3/mol).
 
auto standardPartialMolarHeatCapacitiesConstP () -> ThermoVectorRef
 The standard partial molar isobaric heat capacities of the species (in units of J/(mol*K)).
 
auto standardPartialMolarHeatCapacitiesConstP () const -> ThermoVectorConstRef
 The standard partial molar isobaric heat capacities of the species (in units of J/(mol*K)).
 
auto standardPartialMolarHeatCapacitiesConstV () -> ThermoVectorRef
 The standard partial molar isochoric heat capacities of the species (in units of J/(mol*K)).
 
auto standardPartialMolarHeatCapacitiesConstV () const -> ThermoVectorConstRef
 The standard partial molar isochoric heat capacities of the species (in units of J/(mol*K)).
 
auto lnActivityConstants () -> ThermoVectorRef
 The natural log of the activity constants of the species.
 
auto lnActivityConstants () const -> ThermoVectorConstRef
 The natural log of the activity constants of the species.
 

Detailed Description

The result of a thermodynamic model function that calculates standard thermodynamic properties of species.

Constructor & Destructor Documentation

ThermoModelResult ( Index  nphases,
Index  nspecies 
)

Construct a ThermoModelResult instance with allocated memory.

Parameters
nphasesThe number of phases in the chemical system.
nspeciesThe number of species in the chemical system.

Member Function Documentation

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

Resize this ThermoModelResult with a given number of species.

Parameters
nphasesThe number of phases in the chemical system.
nspeciesThe number of species in the chemical system.
auto phaseProperties ( Index  iphase,
Index  ispecies,
Index  nspecies 
) -> PhaseThermoModelResult

Return a view of the thermodynamic 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.
auto phaseProperties ( Index  iphase,
Index  ispecies,
Index  nspecies 
) const -> PhaseThermoModelResultConst

Return a view of the thermodynamic 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/ThermoModel.hpp
  • Reaktoro/Thermodynamics/Models/ThermoModel.cpp