Wrapper class for storing state for Antioch thermo and kinetics. More...

#include <antioch_mixture.h>

Inheritance diagram for GRINS::AntiochMixture:

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Collaboration diagram for GRINS::AntiochMixture:

Public Member Functions
	AntiochMixture (const GetPot &input, const std::string &material)

virtual	~AntiochMixture ()

virtual void	register_parameter (const std::string &param_name, libMesh::ParameterMultiAccessor< libMesh::Number > &param_pointer) const
	Each subclass will register its copy of an independent. More...

const Antioch::ReactionSet< libMesh::Real > &	reaction_set () const

const Antioch::CEAThermoMixture< libMesh::Real > &	cea_mixture () const

libMesh::Real	h_stat_mech_ref_correction (unsigned int species) const

Public Member Functions inherited from GRINS::AntiochChemistry
	AntiochChemistry (const GetPot &input, const std::string &material)

virtual	~AntiochChemistry ()

libMesh::Real	M (unsigned int species) const
	Species molar mass (molecular weight), [kg/mol]. More...

libMesh::Real	M_mix (const std::vector< libMesh::Real > &mass_fractions) const
	Mixture molar mass (molecular weight), [kg/mol]. More...

libMesh::Real	R (unsigned int species) const
	Species gas constant, [J/kg-K]. More...

libMesh::Real	R_mix (const std::vector< libMesh::Real > &mass_fractions) const
	Mixture gas constant, [J/kg-K]. More...

libMesh::Real	X (unsigned int species, libMesh::Real M, libMesh::Real mass_fraction) const
	Species mole fraction, unitless. More...

void	X (libMesh::Real M, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &mole_fractions) const
	Mole fraction for all species, unitless. More...

libMesh::Real	molar_density (const unsigned int species, const libMesh::Real rho, const libMesh::Real mass_fraction) const
	Species molar density, [mol/m^3]. More...

void	molar_densities (const libMesh::Real rho, const std::vector< libMesh::Real > &mass_fractions, std::vector< libMesh::Real > &molar_densities) const
	Molar density for all species, [mol/m^3]. More...

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 Antioch::ChemicalMixture< libMesh::Real > &	chemical_mixture () const
	Accessor to underlying Antioch object. More...

const AntiochChemistry &	chemistry () const
	Accessor for this class. More...

Public Member Functions inherited from GRINS::ParameterUser
	ParameterUser (const std::string &user_name)

virtual	~ParameterUser ()

virtual void	set_parameter (libMesh::Number &param_variable, const GetPot &input, const std::string &param_name, libMesh::Number param_default)
	Each subclass can simultaneously read a parameter value from. More...

virtual void	set_parameter (libMesh::ParsedFunction< libMesh::Number, libMesh::Gradient > &func, const GetPot &input, const std::string &func_param_name, const std::string &param_default)
	Each subclass can simultaneously read a parsed function from. More...

virtual void	set_parameter (libMesh::ParsedFEMFunction< libMesh::Number > &func, const GetPot &input, const std::string &func_param_name, const std::string &param_default)
	Each subclass can simultaneously read a parsed function from. More...

virtual void	move_parameter (const libMesh::Number &old_parameter, libMesh::Number &new_parameter)
	When cloning an object, we need to update parameter pointers. More...

virtual void	move_parameter (const libMesh::ParsedFunction< libMesh::Number, libMesh::Gradient > &old_func, libMesh::ParsedFunction< libMesh::Number, libMesh::Gradient > &new_func)
	When cloning an object, we need to update parameter pointers. More...

virtual void	move_parameter (const libMesh::ParsedFEMFunction< libMesh::Number > &old_func, libMesh::ParsedFEMFunction< libMesh::Number > &new_func)
	When cloning an object, we need to update parameter pointers. More...

Protected Member Functions
void	build_stat_mech_ref_correction ()

Protected Attributes
libMesh::UniquePtr< Antioch::ReactionSet< libMesh::Real > >	_reaction_set

libMesh::UniquePtr< Antioch::CEAThermoMixture< libMesh::Real > >	_cea_mixture

std::vector< libMesh::Real >	_h_stat_mech_ref_correction

Protected Attributes inherited from GRINS::AntiochChemistry
libMesh::UniquePtr< Antioch::ChemicalMixture< libMesh::Real > >	_antioch_gas

Private Member Functions
	AntiochMixture ()

Additional Inherited Members
Static Public Attributes inherited from GRINS::ParameterUser
static std::string	zero_vector_function = std::string("{0}")
	A parseable function string with LIBMESH_DIM components, all 0. More...

Detailed Description

Wrapper class for storing state for Antioch thermo and kinetics.

This class is expected to be constructed before threads have been forked and will live during the whole program. By default, Antioch is working in SI units. Note that this documentation will always be built regardless if Antioch is included in the GRINS build or not. Check configure output to confirm that Antioch was included in the build.

Definition at line 60 of file antioch_mixture.h.

Constructor & Destructor Documentation

GRINS::AntiochMixture::AntiochMixture	(	const GetPot &	input,
		const std::string &	material
	)

Definition at line 48 of file antioch_mixture.C.

References _cea_mixture, _reaction_set, build_stat_mech_ref_correction(), and GRINS::MaterialsParsing::parse_chemical_kinetics_datafile_name().

     : AntiochChemistry(input,material),
       _reaction_set( new Antioch::ReactionSet<libMesh::Real>( (*_antioch_gas.get()) ) ),
       _cea_mixture( new Antioch::CEAThermoMixture<libMesh::Real>( (*_antioch_gas.get()) ) )
   {
     std::string kinetics_data_filename = MaterialsParsing::parse_chemical_kinetics_datafile_name( input, material );
 
     bool verbose_read = input("screen-options/verbose_kinetics_read", false );
 
     Antioch::read_reaction_set_data_xml<libMesh::Real>( kinetics_data_filename, verbose_read, *_reaction_set.get() );
 
     std::string cea_data_filename = input( "Materials/"+material+"/GasMixture/Antioch/cea_data", "default" );
     if( cea_data_filename == std::string("default") )
       cea_data_filename = Antioch::DefaultInstallFilename::thermo_data();
 
     Antioch::read_cea_mixture_data_ascii( *_cea_mixture.get(), cea_data_filename );
 
     this->build_stat_mech_ref_correction();
   }

virtual GRINS::AntiochMixture::~AntiochMixture ( )

inlinevirtual

Definition at line 66 of file antioch_mixture.h.

66 {};

GRINS::AntiochMixture::AntiochMixture ( )

private

Member Function Documentation

void GRINS::AntiochMixture::build_stat_mech_ref_correction ( )

protected

Definition at line 85 of file antioch_mixture.C.

References GRINS::AntiochChemistry::_antioch_gas, _h_stat_mech_ref_correction, and GRINS::AntiochChemistry::n_species().

Referenced by AntiochMixture().

   {
     Antioch::StatMechThermodynamics<libMesh::Real> thermo( *(this->_antioch_gas.get()) );
 
     _h_stat_mech_ref_correction.resize(this->n_species());
 
     for( unsigned int s = 0; s < this->n_species(); s++ )
       {
         _h_stat_mech_ref_correction[s] = -thermo.h_tot( s, 298.15 ) + thermo.e_0(s);
       }
   }

const Antioch::CEAThermoMixture< libMesh::Real > & GRINS::AntiochMixture::cea_mixture ( ) const

inline

Definition at line 105 of file antioch_mixture.h.

References _cea_mixture.

Referenced by GRINS::AntiochEvaluator< Thermo >::specialized_build_thermo(), and GRINS::AntiochMixtureAveragedTransportMixture< Thermo, Viscosity, Conductivity, Diffusivity >::specialized_build_thermo().

   {
     return *_cea_mixture.get();
   }

libMesh::Real GRINS::AntiochMixture::h_stat_mech_ref_correction ( unsigned int species ) const

inline

Definition at line 111 of file antioch_mixture.h.

References _h_stat_mech_ref_correction.

   {
     return _h_stat_mech_ref_correction[species];
   }

const Antioch::ReactionSet< libMesh::Real > & GRINS::AntiochMixture::reaction_set ( ) const

inline

Definition at line 99 of file antioch_mixture.h.

References _reaction_set.

   {
     return *_reaction_set.get();
   }

void GRINS::AntiochMixture::register_parameter	(	const std::string &	param_name,
		libMesh::ParameterMultiAccessor< libMesh::Number > &	param_pointer
	)		const

virtual

Each subclass will register its copy of an independent.

Reimplemented from GRINS::ParameterUser.

Definition at line 70 of file antioch_mixture.C.

References GRINS::ParameterUser::register_parameter().

   {
     // Use common code for any GRINS parameters
     AntiochChemistry::register_parameter(param_name, param_pointer);
 
     // Create a special setter/getter for any Antioch-only parameters
     if (param_name.find("Antioch") == 0) // name starts with Antioch
       param_pointer.push_back
         (ParameterAntiochReset
           (*this->_reaction_set.get(), param_name));
   }

Member Data Documentation

libMesh::UniquePtr<Antioch::CEAThermoMixture<libMesh::Real> > GRINS::AntiochMixture::_cea_mixture

protected

Definition at line 85 of file antioch_mixture.h.

Referenced by AntiochMixture(), and cea_mixture().

std::vector<libMesh::Real> GRINS::AntiochMixture::_h_stat_mech_ref_correction

protected

Definition at line 87 of file antioch_mixture.h.

Referenced by build_stat_mech_ref_correction(), and h_stat_mech_ref_correction().

libMesh::UniquePtr<Antioch::ReactionSet<libMesh::Real> > GRINS::AntiochMixture::_reaction_set

protected

Definition at line 83 of file antioch_mixture.h.

Referenced by AntiochMixture(), and reaction_set().

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

src/properties/include/grins/antioch_mixture.h
src/properties/src/antioch_mixture.C

Public Member Functions

Protected Member Functions

Protected Attributes

Private Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation