Reaktoro
A unified framework for modeling chemically reactive systems

A type used to define a phase and its attributes. More...

#include <Phase.hpp>

Inheritance diagram for Phase:
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Public Member Functions

 Phase ()
 Construct a default Phase instance.
 
auto setName (std::string name) -> void
 Set the name of the phase.
 
auto setType (PhaseType type) -> void
 Set the type of the phase.
 
auto setSpecies (const std::vector< Species > &species) -> void
 Set the species of the phase.
 
auto setThermoModel (const PhaseThermoModel &model) -> void
 Set the function that calculates the standard thermodynamic properties of the phase.
 
auto setChemicalModel (const PhaseChemicalModel &model) -> void
 Set the function that calculates the chemical properties of the phase.
 
auto numElements () const -> unsigned
 Return the number of elements in the phase.
 
auto numSpecies () const -> unsigned
 Return the number of species in the phase.
 
auto name () const -> std::string
 Return the name of the phase.
 
auto type () const -> PhaseType
 Return the type of the phase.
 
auto elements () const -> const std::vector< Element > &
 Return the elements of the phase.
 
auto elements () -> std::vector< Element > &
 Return the elements of the phase.
 
auto species () const -> const std::vector< Species > &
 Return the species of the phase.
 
auto species () -> std::vector< Species > &
 Return the species of the phase.
 
auto species (Index index) const -> const Species &
 Return the species of the phase with a given index.
 
auto isFluid () const -> bool
 Return true if the state of matter of the phase is fluid, i.e., liquid, gas, or plasma.
 
auto isSolid () const -> bool
 Return true if the phase type is solid.
 
auto thermoModel () const -> const PhaseThermoModel &
 Return the thermodynamic model function of the phase. More...
 
auto chemicalModel () const -> const PhaseChemicalModel &
 Return the chemical model function of the phase. More...
 
auto indexSpecies (std::string name) const -> Index
 Return the index of a species in the phase. More...
 
auto indexSpeciesWithError (std::string name) const -> Index
 Return the index of a species in the system. More...
 
auto indexSpeciesAny (const std::vector< std::string > &names) const -> Index
 Return the index of the first species in the phase with any of the given names. More...
 
auto indexSpeciesAnyWithError (const std::vector< std::string > &names) const -> Index
 Return the index of the first species in the phase with any of the given names. More...
 
auto properties (PhaseThermoModelResult &res, double T, double P) const -> void
 Calculate the standard thermodynamic properties of the species in the phase. More...
 
auto properties (PhaseChemicalModelResult &res, double T, double P, VectorConstRef n) const -> void
 Calculate the thermodynamic and chemical properties of the chemical system. More...
 

Detailed Description

A type used to define a phase and its attributes.

See also
ChemicalSystem, Element, Species

Member Function Documentation

◆ thermoModel()

auto thermoModel ( ) const -> const PhaseThermoModel&

Return the thermodynamic model function of the phase.

See also
PhaseThermoModel

◆ chemicalModel()

auto chemicalModel ( ) const -> const PhaseChemicalModel&

Return the chemical model function of the phase.

See also
PhaseChemicalModel

◆ indexSpecies()

auto indexSpecies ( std::string  name) const -> Index

Return the index of a species in the phase.

Parameters
nameThe name of the species
Returns
The index of the species if found, or the number of species in the phase otherwise.

◆ indexSpeciesWithError()

auto indexSpeciesWithError ( std::string  name) const -> Index

Return the index of a species in the system.

Parameters
nameThe name of the species
Returns
The index of the species if found, or a runtime exception otherwise.

◆ indexSpeciesAny()

auto indexSpeciesAny ( const std::vector< std::string > &  names) const -> Index

Return the index of the first species in the phase with any of the given names.

Parameters
namesThe tentative names of the species in the phase.
Returns
The index of the species if found, or the number of species in the phase otherwise.

◆ indexSpeciesAnyWithError()

auto indexSpeciesAnyWithError ( const std::vector< std::string > &  names) const -> Index

Return the index of the first species in the phase with any of the given names.

Parameters
namesThe tentative names of the species in the phase.
Returns
The index of the species if found, or a runtime exception otherwise.

◆ properties() [1/2]

auto properties ( PhaseThermoModelResult res,
double  T,
double  P 
) const -> void

Calculate the standard thermodynamic properties of the species in the phase.

Parameters
[out]resThe result of the thermodynamic model evaluation
TThe temperature of the system (in units of K)
PThe pressure of the system (in units of Pa)

◆ properties() [2/2]

auto properties ( PhaseChemicalModelResult res,
double  T,
double  P,
VectorConstRef  n 
) const -> void

Calculate the thermodynamic and chemical properties of the chemical system.

Parameters
[out]resThe result of the chemical model evaluation
TThe temperature of the system (in units of K)
PThe pressure of the system (in units of Pa)
nThe molar amounts of the species (in units of mol)

The documentation for this class was generated from the following files:
  • Reaktoro/Core/Phase.hpp
  • Reaktoro/Core/Phase.cpp