GRINS::CanteraMixture Class Reference

Wrapper class for storing state for computing thermochemistry and transport properties using Cantera. More...

#include <cantera_mixture.h>

Public Types
typedef CanteraMixture	ChemistryParent
	This is basically dummy, but is needed for template games elsewhere. More...

Public Member Functions
	CanteraMixture (const GetPot &input)
	~CanteraMixture ()
Cantera::IdealGasMix &	get_chemistry ()
const Cantera::IdealGasMix &	get_chemistry () const
Cantera::Transport &	get_transport ()
libMesh::Real	M (unsigned int species) const
libMesh::Real	M_mix (const std::vector< libMesh::Real > &mass_fractions) const
libMesh::Real	R (unsigned int species) const
libMesh::Real	R_mix (const std::vector< libMesh::Real > &mass_fractions) const
libMesh::Real	X (unsigned int species, libMesh::Real M, libMesh::Real mass_fraction) const
void	X (libMesh::Real M, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &mole_fractions) const
unsigned int	n_species () const
unsigned int	species_index (const std::string &species_name) const
std::string	species_name (unsigned int species_index) const
const CanteraMixture &	chemistry () const

Protected Attributes
boost::scoped_ptr< Cantera::IdealGasMix >	_cantera_gas
boost::scoped_ptr< Cantera::Transport >	_cantera_transport

Private Member Functions
	CanteraMixture ()

Detailed Description

Wrapper class for storing state for computing thermochemistry and transport properties using Cantera.

This class is expected to be constructed before threads have been forked and will live during the whole program. Note that this documentation will always be built regardless if Cantera is included in the GRINS build or not. Check configure output to confirm that Cantera was included in the build if you wish to use it.

Definition at line 62 of file cantera_mixture.h.

Member Typedef Documentation

typedef CanteraMixture GRINS::CanteraMixture::ChemistryParent

This is basically dummy, but is needed for template games elsewhere.

Definition at line 96 of file cantera_mixture.h.

Constructor & Destructor Documentation

GRINS::CanteraMixture::CanteraMixture

(

const GetPot &

input

)

Definition at line 38 of file cantera_mixture.C.

References _cantera_gas, and _cantera_transport.

    : _cantera_gas(NULL),
      _cantera_transport(NULL)
  {
    const std::string cantera_chem_file = input( "Physics/Chemistry/chem_file", "DIE!" );
    const std::string mixture = input( "Physics/Chemistry/mixture", "DIE!" );

    try
      {
        _cantera_gas.reset( new Cantera::IdealGasMix( cantera_chem_file, mixture ) );
      }
    catch(Cantera::CanteraError)
      {
        Cantera::showErrors(std::cerr);
        libmesh_error();
      }

    try
      {
        _cantera_transport.reset( Cantera::newTransportMgr("Mix", _cantera_gas.get()) );
      }
    catch(Cantera::CanteraError)
      {
        Cantera::showErrors(std::cerr);
        libmesh_error();
      }

    return;
  }

GRINS::CanteraMixture::~CanteraMixture

(

)

Definition at line 68 of file cantera_mixture.C.

  {
    return;
  }

GRINS::CanteraMixture::CanteraMixture ( )

private

Member Function Documentation

const CanteraMixture & GRINS::CanteraMixture::chemistry ( ) const

inline

Definition at line 171 of file cantera_mixture.h.

  {
    return *this;
  }

Cantera::IdealGasMix & GRINS::CanteraMixture::get_chemistry ( )

inline

Definition at line 112 of file cantera_mixture.h.

References _cantera_gas.

Referenced by main().

  {
    return (*_cantera_gas);
  }

const Cantera::IdealGasMix & GRINS::CanteraMixture::get_chemistry ( ) const

inline

Definition at line 118 of file cantera_mixture.h.

References _cantera_gas.

  {
    return (*_cantera_gas);
  }

Cantera::Transport & GRINS::CanteraMixture::get_transport ( )

inline

Definition at line 124 of file cantera_mixture.h.

References _cantera_transport.

  {
    return (*_cantera_transport);
  }

libMesh::Real GRINS::CanteraMixture::M ( unsigned int  species ) const

inline

Definition at line 130 of file cantera_mixture.h.

References _cantera_gas.

Referenced by GRINS::CanteraEvaluator::M(), M_mix(), and X().

  {
    // Cantera returns molar mass in kg/kmol
    return _cantera_gas->molecularWeight(species);
  }

libMesh::Real GRINS::CanteraMixture::M_mix

(

const std::vector< libMesh::Real > &

mass_fractions

)

const

Definition at line 73 of file cantera_mixture.C.

References _cantera_gas, and M().

Referenced by GRINS::CanteraEvaluator::M_mix(), and main().

  {
    libmesh_assert_equal_to( mass_fractions.size(), _cantera_gas->nSpecies() );
    
    libMesh::Real M = 0;
    for( unsigned int s = 0; s < mass_fractions.size(); s++ )
      {
        M += mass_fractions[s]/(this->M(s));
      }

    return 1.0/M;
  }

unsigned int GRINS::CanteraMixture::n_species ( ) const

inline

Definition at line 153 of file cantera_mixture.h.

References _cantera_gas.

Referenced by main().

  {
    return _cantera_gas->nSpecies();
  }

libMesh::Real GRINS::CanteraMixture::R ( unsigned int  species ) const

inline

Definition at line 137 of file cantera_mixture.h.

References _cantera_gas.

Referenced by GRINS::CanteraThermodynamics::h(), GRINS::CanteraEvaluator::R(), and R_mix().

  {
    // Cantera::GasConstant in J/kmol-K
    // Cantera returns molar mass in kg/kmol
    return Cantera::GasConstant/_cantera_gas->molecularWeight(species);
  }

libMesh::Real GRINS::CanteraMixture::R_mix

(

const std::vector< libMesh::Real > &

mass_fractions

)

const

Definition at line 86 of file cantera_mixture.C.

References _cantera_gas, and R().

Referenced by main(), and GRINS::CanteraEvaluator::R_mix().

  {
    libmesh_assert_equal_to( mass_fractions.size(), _cantera_gas->nSpecies() );
    
    libMesh::Real R = 0.0;
    for( unsigned int s = 0; s < mass_fractions.size(); s++ )
      {
        R += mass_fractions[s]*this->R(s);
      }
    
    return R;
  }

unsigned int GRINS::CanteraMixture::species_index ( const std::string &  species_name ) const

inline

Definition at line 159 of file cantera_mixture.h.

References _cantera_gas.

Referenced by GRINS::CanteraEvaluator::species_index().

  {
    return _cantera_gas->speciesIndex( species_name );
  }

std::string GRINS::CanteraMixture::species_name ( unsigned int  species_index ) const

inline

Definition at line 165 of file cantera_mixture.h.

References _cantera_gas.

Referenced by main(), and GRINS::CanteraEvaluator::species_name().

  {
    return _cantera_gas->speciesName( species_index );
  }

libMesh::Real GRINS::CanteraMixture::X ( unsigned int  species, libMesh::Real  M, libMesh::Real  mass_fraction  ) const

inline

Definition at line 145 of file cantera_mixture.h.

References M().

Referenced by main(), GRINS::CanteraEvaluator::X(), and X().

  {
    return mass_fraction*M_mix/this->M(species);
  }

void GRINS::CanteraMixture::X	(	libMesh::Real	M,
		const std::vector< libMesh::Real > &	mass_fractions,
		std::vector< libMesh::Real > &	mole_fractions
	)		const

Definition at line 99 of file cantera_mixture.C.

References _cantera_gas, and X().

  {
    libmesh_assert_equal_to( mass_fractions.size(), _cantera_gas->nSpecies() );

    libmesh_assert_equal_to( mole_fractions.size(), mass_fractions.size() );

    for( unsigned int s = 0; s < mass_fractions.size(); s++ )
      {
        mole_fractions[s] = this->X(s, M_mix, mass_fractions[s]);
      }

    return;
  }

Member Data Documentation

boost::scoped_ptr<Cantera::IdealGasMix> GRINS::CanteraMixture::_cantera_gas

protected

Definition at line 100 of file cantera_mixture.h.

Referenced by CanteraMixture(), get_chemistry(), M(), M_mix(), n_species(), R(), R_mix(), species_index(), species_name(), and X().

boost::scoped_ptr<Cantera::Transport> GRINS::CanteraMixture::_cantera_transport

protected

Definition at line 102 of file cantera_mixture.h.

Referenced by CanteraMixture(), and get_transport().

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The documentation for this class was generated from the following files:

• src/properties/include/grins/cantera_mixture.h
• src/properties/src/cantera_mixture.C