Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::GaseousMixture Class Reference

Detailed Description

Provides a computational representation of a gaseous mixture.

The GaseousMixture class is defined as a collection of GaseousSpecies objects, representing, therefore, a mixture of gaseous species. Its main purpose is to provide the necessary operations in the calculation of activities of gaseous species.

See also
GaseousSpecies

#include <GaseousMixture.hpp>

Inheritance diagram for Reaktoro::GaseousMixture:
Collaboration diagram for Reaktoro::GaseousMixture:

Public Member Functions

 GaseousMixture ()
 Construct a default GaseousMixture instance.
 
 GaseousMixture (const std::vector< GaseousSpecies > &species)
 Construct a GaseousMixture instance with given species. More...
 
virtual ~GaseousMixture ()
 Destroy the GaseousMixture instance.
 
auto state (double T, double P, const Vector &n) const -> GaseousMixtureState
 Calculate the state of the gaseous mixture. More...
 
- Public Member Functions inherited from Reaktoro::GeneralMixture< GaseousSpecies >
 GeneralMixture ()
 Construct a default GeneralMixture instance.
 
 GeneralMixture (const std::vector< GaseousSpecies > &species)
 Construct a GeneralMixture instance with given species. More...
 
virtual ~GeneralMixture ()
 Destroy the instance.
 
auto setName (std::string name) -> void
 Set the name of the mixture.
 
auto numSpecies () const -> unsigned
 Return the number of species in the mixture.
 
auto name () const -> std::string
 Return the name of the mixture.
 
auto species () const -> const std::vector< GaseousSpecies > &
 Return the species that compose the mixture. More...
 
auto species (const Index &index) const -> const GaseousSpecies &
 Return a species in the mixture. More...
 
auto indexSpecies (const std::string &name) const -> Index
 Return the index of a species in the mixture. More...
 
auto indexSpeciesAny (const std::vector< std::string > &names) const -> Index
 Return the index of the first species in the mixture with any of the given names. More...
 
auto namesSpecies () const -> std::vector< std::string >
 Return the names of the species in the mixture.
 
auto chargesSpecies () const -> Vector
 Return the charges of the species in the mixture.
 
auto molarFractions (const Vector &n) const -> ChemicalVector
 Calculates the molar fractions of the species and their partial derivatives. More...
 
auto state (double T, double P, const Vector &n) const -> MixtureState
 Calculate the state of the mixture. More...
 

Constructor & Destructor Documentation

Reaktoro::GaseousMixture::GaseousMixture ( const std::vector< GaseousSpecies > &  species)
explicit

Construct a GaseousMixture instance with given species.

Parameters
speciesThe species that compose the gaseous mixture

Member Function Documentation

auto Reaktoro::GaseousMixture::state ( double  T,
double  P,
const Vector n 
) const -> GaseousMixtureState

Calculate the state of the gaseous mixture.

Parameters
TThe temperature (in units of K)
PThe pressure (in units of Pa)
nThe molar amounts of the species in the mixture (in units of mol)

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