GRINS::CanteraKinetics Class Reference

#include <cantera_kinetics.h>

Public Member Functions
	CanteraKinetics (CanteraMixture &mixture)
	~CanteraKinetics ()
void	omega_dot (const CachedValues &cache, unsigned int qp, std::vector< libMesh::Real > &omega_dot) const
void	omega_dot_TPY (const libMesh::Real T, const libMesh::Real P, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &omega_dot) const
void	omega_dot_TRY (const libMesh::Real &T, const libMesh::Real rho, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &omega_dot) const

Protected Attributes
Cantera::IdealGasMix &	_cantera_gas

Private Member Functions
	CanteraKinetics ()

Detailed Description

Definition at line 54 of file cantera_kinetics.h.

Constructor & Destructor Documentation

GRINS::CanteraKinetics::CanteraKinetics

(

CanteraMixture &

mixture

)

Definition at line 48 of file cantera_kinetics.C.

    :  _cantera_gas( mixture.get_chemistry() )
  {
    return;
  }

GRINS::CanteraKinetics::~CanteraKinetics

(

)

Definition at line 54 of file cantera_kinetics.C.

  {
    return;
  }

GRINS::CanteraKinetics::CanteraKinetics ( )

private

Member Function Documentation

void GRINS::CanteraKinetics::omega_dot	(	const CachedValues &	cache,
		unsigned int	qp,
		std::vector< libMesh::Real > &	omega_dot
	)		const

Definition at line 59 of file cantera_kinetics.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Cache::MASS_FRACTIONS, omega_dot_TPY(), GRINS::Cache::TEMPERATURE, and GRINS::Cache::THERMO_PRESSURE.

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

  {
    const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
    const libMesh::Real P = cache.get_cached_values(Cache::THERMO_PRESSURE)[qp];
    const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];

    this->omega_dot_TPY( T, P, Y, omega_dot );

    return;
  }

void GRINS::CanteraKinetics::omega_dot_TPY	(	const libMesh::Real	T,
		const libMesh::Real	P,
		const std::vector< libMesh::Real > &	mass_fractions,
		std::vector< libMesh::Real > &	omega_dot
	)		const

Todo:

Need to make sure this will work in a threaded environment. Not sure if we will get thread lock here or not.

Definition at line 72 of file cantera_kinetics.C.

References _cantera_gas.

Referenced by main(), and omega_dot().

  {
    libmesh_assert_equal_to( mass_fractions.size(), omega_dot.size() );
    libmesh_assert_equal_to( mass_fractions.size(), _cantera_gas.nSpecies() );
    libmesh_assert_greater(T,0.0);
    libmesh_assert_greater(P,0.0);
    
    {
      libMesh::Threads::spin_mutex::scoped_lock lock(cantera_mutex);
      
      try
        {
          _cantera_gas.setState_TPY(T, P, &mass_fractions[0]);
          _cantera_gas.getNetProductionRates(&omega_dot[0]);
        }
      catch(Cantera::CanteraError)
        {
          Cantera::showErrors(std::cerr);
          libmesh_error();
        }
    }

#ifdef DEBUG
    for( unsigned int s = 0; s < omega_dot.size(); s++ )
      {
        if( libMesh::libmesh_isnan(omega_dot[s]) )
          {
            std::cout << "T = " << T << std::endl
                      << "P = " << P << std::endl;
            for( unsigned int s = 0; s < omega_dot.size(); s++ )
              {
                std::cout << "Y[" << s << "] = " << mass_fractions[s] << std::endl;
              }
            for( unsigned int s = 0; s < omega_dot.size(); s++ )
              {
                std::cout << "omega_dot[" << s << "] = " << omega_dot[s] << std::endl;
              }

            libmesh_error();
          }
      }
#endif

    for( unsigned int s = 0; s < omega_dot.size(); s++ )
      {
        // convert [kmol/m^3-s] to [kg/m^3-s]
        omega_dot[s] *= this->_cantera_gas.molecularWeight(s);
      }

    return;
  }

void GRINS::CanteraKinetics::omega_dot_TRY	(	const libMesh::Real &	T,
		const libMesh::Real	rho,
		const std::vector< libMesh::Real > &	mass_fractions,
		std::vector< libMesh::Real > &	omega_dot
	)		const

Todo:

Need to make sure this will work in a threaded environment. Not sure if we will get thread lock here or not.

Definition at line 128 of file cantera_kinetics.C.

References _cantera_gas.

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

  {
    libmesh_assert_equal_to( mass_fractions.size(), omega_dot.size() );
    libmesh_assert_equal_to( mass_fractions.size(), _cantera_gas.nSpecies() );
    libmesh_assert_greater(T,0.0);
    libmesh_assert_greater(rho,0.0);

    {
      libMesh::Threads::spin_mutex::scoped_lock lock(cantera_mutex);

      try
        {
          _cantera_gas.setState_TRY(T, rho, &mass_fractions[0]);
          _cantera_gas.getNetProductionRates(&omega_dot[0]);
        }
      catch(Cantera::CanteraError)
        {
          Cantera::showErrors(std::cerr);
          libmesh_error();
        }
    }

    for( unsigned int s = 0; s < omega_dot.size(); s++ )
      {
        // convert [kmol/m^3-s] to [kg/m^3-s]
        omega_dot[s] *= this->_cantera_gas.molecularWeight(s);
      }

    return;
  }

Member Data Documentation

Cantera::IdealGasMix& GRINS::CanteraKinetics::_cantera_gas

protected

Definition at line 74 of file cantera_kinetics.h.

Referenced by omega_dot_TPY(), and omega_dot_TRY().

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

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