#include <gas_solid_catalytic_wall.h>

Inheritance diagram for GRINS::GasSolidCatalyticWall< Chemistry >:

Collaboration diagram for GRINS::GasSolidCatalyticWall< Chemistry >:

Public Member Functions
	GasSolidCatalyticWall (SharedPtr< Chemistry > &chem, SharedPtr< CatalycityBase > &gamma, const std::vector< VariableIndex > &species_vars, VariableIndex T_var, libMesh::Real p0, unsigned int reactant_gas_species_idx, unsigned int reactant_solid_species_idx, unsigned int product_species_idx)

	GasSolidCatalyticWall (const Chemistry &chem_mixture, CatalycityBase &gamma, const unsigned int reactant_gas_species_idx, const unsigned int reactant_solid_species_idx, const unsigned int product_species_idx)
	Deprecated. More...

virtual	~GasSolidCatalyticWall ()

virtual void	init (const libMesh::FEMSystem &system)
	Deprecated. More...

virtual bool	eval_flux (bool compute_jacobian, AssemblyContext &context, libMesh::Real sign, bool is_axisymmetric)

virtual void	apply_fluxes (AssemblyContext &context, const CachedValues &cache, const bool request_jacobian)
	Deprecated. More...

libMesh::Real	compute_reactant_gas_mass_flux (const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)

libMesh::Real	compute_reactant_solid_mass_consumption (const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)

libMesh::Real	compute_product_mass_flux (const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)

libMesh::Real	compute_reactant_solid_mass_consumption_dT (const libMesh::Real rho, const libMesh::Real Y_r, const libMesh::Real T)

libMesh::Real	compute_reactant_solid_mass_consumption_dYs (const libMesh::Real rho, const std::vector< libMesh::Real > Y, const libMesh::Real T)

Public Member Functions inherited from GRINS::CatalyticWallBase< Chemistry >
	CatalyticWallBase (SharedPtr< Chemistry > &chem, SharedPtr< CatalycityBase > &gamma, const std::vector< VariableIndex > &species_vars, VariableIndex T_var, libMesh::Real p0, unsigned int reactant_species_idx)

	CatalyticWallBase (const Chemistry &chem_mixture, CatalycityBase &gamma, const unsigned int reactant_species_idx)
	Deprecated. More...

virtual	~CatalyticWallBase ()

libMesh::Real	rho (libMesh::Real T, libMesh::Real p0, libMesh::Real R_mix) const

libMesh::Real	omega_dot (const libMesh::Real rho_s, const libMesh::Real T) const
	$\rho_s \gamma \sqrt{ \frac{R_s T}{2\pi} }$ More...

libMesh::Real	domega_dot_dws (const libMesh::Real rho_s, const libMesh::Real w_s, const libMesh::Real T, const libMesh::Real R) const

libMesh::Real	domega_dot_dT (const libMesh::Real rho_s, const libMesh::Real T) const

void	set_catalycity_params (const std::vector< libMesh::Real > &params)

Public Member Functions inherited from GRINS::NeumannBCAbstract
	NeumannBCAbstract ()

virtual	~NeumannBCAbstract ()

Protected Attributes
const unsigned int	_reactant_gas_species_idx

VariableIndex	_reactant_gas_var_idx

const unsigned int	_reactant_solid_species_idx

const unsigned int	_product_species_idx

VariableIndex	_product_var_idx

Protected Attributes inherited from GRINS::CatalyticWallBase< Chemistry >
SharedPtr< Chemistry >	_chem_ptr

const Chemistry &	_chemistry
	Deprecated. More...

SharedPtr< CatalycityBase >	_gamma_ptr

libMesh::UniquePtr< CatalycityBase >	_gamma_s
	Deprecated. More...

const libMesh::Real	_C
	$\sqrt{ \frac{R_s}{2\pi} }$ More...

std::vector< VariableIndex >	_species_vars

VariableIndex	_T_var

libMesh::Real	_p0
	Thermodynamic pressure. More...

Additional Inherited Members
Protected Member Functions inherited from GRINS::CatalyticWallBase< Chemistry >
libMesh::Real	eval_gamma (libMesh::Real T) const
	Temporary helper to deal with intermediate refactoring. More...

libMesh::Real	eval_gamma_dT (libMesh::Real T) const
	Temporary helper to deal with intermediate refactoring. More...

Detailed Description

template<typename Chemistry>
class GRINS::GasSolidCatalyticWall< Chemistry >

Definition at line 36 of file gas_solid_catalytic_wall.h.

Constructor & Destructor Documentation

template<typename Chemistry >

GRINS::GasSolidCatalyticWall< Chemistry >::GasSolidCatalyticWall	(	SharedPtr< Chemistry > &	chem,
		SharedPtr< CatalycityBase > &	gamma,
		const std::vector< VariableIndex > &	species_vars,
		VariableIndex	T_var,
		libMesh::Real	p0,
		unsigned int	reactant_gas_species_idx,
		unsigned int	reactant_solid_species_idx,
		unsigned int	product_species_idx
	)

Definition at line 37 of file gas_solid_catalytic_wall.C.

   : CatalyticWallBase<Chemistry>(chem,gamma,species_vars,T_var,p0,reactant_gas_species_idx),
     _reactant_gas_species_idx(reactant_gas_species_idx),
     _reactant_gas_var_idx(species_vars[reactant_gas_species_idx]),
     _reactant_solid_species_idx(reactant_solid_species_idx),
     _product_species_idx(product_species_idx),
     _product_var_idx(species_vars[product_species_idx])
   {}

template<typename Chemistry >

GRINS::GasSolidCatalyticWall< Chemistry >::GasSolidCatalyticWall	(	const Chemistry &	chem_mixture,
		CatalycityBase &	gamma,
		const unsigned int	reactant_gas_species_idx,
		const unsigned int	reactant_solid_species_idx,
		const unsigned int	product_species_idx
	)

Deprecated.

Definition at line 54 of file gas_solid_catalytic_wall.C.

     : CatalyticWallBase<Chemistry>(chem_mixture,gamma,reactant_gas_species_idx),
       _reactant_gas_species_idx(reactant_gas_species_idx),
       _reactant_solid_species_idx(reactant_solid_species_idx),
       _product_species_idx(product_species_idx)
   {
     libmesh_deprecated();
   }

template<typename Chemistry>

virtual GRINS::GasSolidCatalyticWall< Chemistry >::~GasSolidCatalyticWall ( )

inlinevirtual

Definition at line 56 of file gas_solid_catalytic_wall.h.

56 {};

Member Function Documentation

template<typename Chemistry >

void GRINS::GasSolidCatalyticWall< Chemistry >::apply_fluxes	(	AssemblyContext &	context,
		const CachedValues &	cache,
		const bool	request_jacobian
	)

virtual

Deprecated.

Implements GRINS::CatalyticWallBase< Chemistry >.

Definition at line 159 of file gas_solid_catalytic_wall.C.

References GRINS::CachedValues::get_cached_values(), GRINS::CachedValues::get_cached_vector_values(), GRINS::Physics::is_axisymmetric(), GRINS::Cache::MASS_FRACTIONS, GRINS::Cache::MIXTURE_DENSITY, and GRINS::Cache::TEMPERATURE.

   {
     libmesh_do_once(libmesh_deprecated());
 
     libMesh::FEGenericBase<libMesh::Real>* side_fe = NULL;
     context.get_side_fe( _reactant_gas_var_idx, side_fe );
 
     // The number of local degrees of freedom in each variable.
     const unsigned int n_var_dofs = context.get_dof_indices(_reactant_gas_var_idx).size();
 
     libmesh_assert_equal_to( n_var_dofs, context.get_dof_indices(_product_var_idx).size() );
 
     // Element Jacobian * quadrature weight for side integration.
     const std::vector<libMesh::Real> &JxW_side = side_fe->get_JxW();
 
     // The var shape functions at side quadrature points.
     const std::vector<std::vector<libMesh::Real> >& var_phi_side = side_fe->get_phi();
 
     // Physical location of the quadrature points
     const std::vector<libMesh::Point>& var_qpoint = side_fe->get_xyz();
 
     // reactant residual
     libMesh::DenseSubVector<libMesh::Number> &F_r_var = context.get_elem_residual(_reactant_gas_var_idx);
 
     // product residual
     libMesh::DenseSubVector<libMesh::Number> &F_p_var = context.get_elem_residual(_product_var_idx);
 
     unsigned int n_qpoints = context.get_side_qrule().n_points();
 
     for (unsigned int qp=0; qp != n_qpoints; qp++)
       {
         libMesh::Real jac = JxW_side[qp];
 
         if(Physics::is_axisymmetric())
           {
             const libMesh::Number r = var_qpoint[qp](0);
             jac *= r;
           }
 
         const libMesh::Real rho = cache.get_cached_values(Cache::MIXTURE_DENSITY)[qp];
 
         const libMesh::Real Y_r = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp][this->_reactant_gas_species_idx];
 
         const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
 
         const libMesh::Real r_value = this->compute_reactant_gas_mass_flux(rho, Y_r, T);
 
         const libMesh::Real p_value = this->compute_product_mass_flux(rho, Y_r, T);
 
         for (unsigned int i=0; i != n_var_dofs; i++)
           {
             F_r_var(i) += r_value*var_phi_side[i][qp]*jac;
 
             F_p_var(i) += p_value*var_phi_side[i][qp]*jac;
 
             if( request_jacobian )
               {
                 libmesh_not_implemented();
               }
           }
       }
 
     return;
   }

template<typename Chemistry >

libMesh::Real GRINS::GasSolidCatalyticWall< Chemistry >::compute_product_mass_flux	(	const libMesh::Real	rho,
		const libMesh::Real	Y_r,
		const libMesh::Real	T
	)

inline

Definition at line 136 of file gas_solid_catalytic_wall.h.

Referenced by test().

   {
     const libMesh::Real rho_r = rho*Y_r;
 
     const libMesh::Real M_r = this->_chemistry.M(_reactant_gas_species_idx);
 
     const libMesh::Real M_p = this->_chemistry.M(_product_species_idx);
 
     const libMesh::Real omega_dot = this->omega_dot( rho_r, T )*M_p/M_r;
 
     return omega_dot;
   }

template<typename Chemistry >

libMesh::Real GRINS::GasSolidCatalyticWall< Chemistry >::compute_reactant_gas_mass_flux	(	const libMesh::Real	rho,
		const libMesh::Real	Y_r,
		const libMesh::Real	T
	)

inline

Definition at line 106 of file gas_solid_catalytic_wall.h.

Referenced by test().

   {
     const libMesh::Real rho_r = rho*Y_r;
 
     const libMesh::Real omega_dot = this->omega_dot( rho_r, T );
 
     return -omega_dot;
   }

template<typename Chemistry >

libMesh::Real GRINS::GasSolidCatalyticWall< Chemistry >::compute_reactant_solid_mass_consumption	(	const libMesh::Real	rho,
		const libMesh::Real	Y_r,
		const libMesh::Real	T
	)

inline

Definition at line 119 of file gas_solid_catalytic_wall.h.

Referenced by test().

   {
     const libMesh::Real rho_r = rho*Y_r;
 
     const libMesh::Real M_r = this->_chemistry.M(_reactant_gas_species_idx);
 
     const libMesh::Real M_solid = this->_chemistry.M(_reactant_solid_species_idx);
 
     const libMesh::Real omega_dot = this->omega_dot( rho_r, T )*M_solid/M_r;
 
     return -omega_dot;
   }

template<typename Chemistry >

libMesh::Real GRINS::GasSolidCatalyticWall< Chemistry >::compute_reactant_solid_mass_consumption_dT	(	const libMesh::Real	rho,
		const libMesh::Real	Y_r,
		const libMesh::Real	T
	)

inline

Definition at line 153 of file gas_solid_catalytic_wall.h.

   {
     const libMesh::Real rho_r = rho*Y_r;
 
     const libMesh::Real M_r = this->_chemistry.M(_reactant_gas_species_idx);
 
     const libMesh::Real M_solid = this->_chemistry.M(_reactant_solid_species_idx);
 
     const libMesh::Real domega_dot_dT = this->domega_dot_dT( rho_r, T )*M_solid/M_r;
 
     return -domega_dot_dT;
   }

template<typename Chemistry >

libMesh::Real GRINS::GasSolidCatalyticWall< Chemistry >::compute_reactant_solid_mass_consumption_dYs	(	const libMesh::Real	rho,
		const std::vector< libMesh::Real >	Y,
		const libMesh::Real	T
	)

inline

Definition at line 170 of file gas_solid_catalytic_wall.h.

   {
     const libMesh::Real Y_r = Y[_reactant_gas_species_idx];
 
     const libMesh::Real rho_r = rho*Y_r;
 
     const libMesh::Real M_r = this->_chemistry.M(_reactant_gas_species_idx);
 
     const libMesh::Real M_solid = this->_chemistry.M(_reactant_solid_species_idx);
 
     const libMesh::Real R = this->_chemistry.R_mix(Y);
 
     const libMesh::Real domega_dot_dYs = this->domega_dot_dws( rho_r, Y_r, T, R )*M_solid/M_r;
 
     return -domega_dot_dYs;
   }

template<typename Chemistry >

bool GRINS::GasSolidCatalyticWall< Chemistry >::eval_flux	(	bool	compute_jacobian,
		AssemblyContext &	context,
		libMesh::Real	sign,
		bool	is_axisymmetric
	)

virtual

Implements GRINS::NeumannBCAbstract.

Definition at line 87 of file gas_solid_catalytic_wall.C.

   {
     libMesh::FEGenericBase<libMesh::Real>* side_fe = NULL;
     context.get_side_fe( _reactant_gas_var_idx, side_fe );
 
     // The number of local degrees of freedom in each variable.
     const unsigned int n_var_dofs = context.get_dof_indices(_reactant_gas_var_idx).size();
 
     libmesh_assert_equal_to( n_var_dofs, context.get_dof_indices(_product_var_idx).size() );
 
     // Element Jacobian * quadrature weight for side integration.
     const std::vector<libMesh::Real> &JxW_side = side_fe->get_JxW();
 
     // The var shape functions at side quadrature points.
     const std::vector<std::vector<libMesh::Real> >& var_phi_side = side_fe->get_phi();
 
     // Physical location of the quadrature points
     const std::vector<libMesh::Point>& var_qpoint = side_fe->get_xyz();
 
     // reactant residual
     libMesh::DenseSubVector<libMesh::Number> &F_r_var = context.get_elem_residual(_reactant_gas_var_idx);
 
     // product residual
     libMesh::DenseSubVector<libMesh::Number> &F_p_var = context.get_elem_residual(_product_var_idx);
 
     unsigned int n_qpoints = context.get_side_qrule().n_points();
 
     for (unsigned int qp=0; qp != n_qpoints; qp++)
       {
         libMesh::Real jac = JxW_side[qp];
 
         if(is_axisymmetric)
           {
             const libMesh::Number r = var_qpoint[qp](0);
             jac *= r;
           }
 
         std::vector<libMesh::Real> mass_fractions(this->_chem_ptr->n_species());
         for( unsigned int s = 0; s < this->_chem_ptr->n_species(); s++ )
           mass_fractions[s] = context.side_value(this->_species_vars[s], qp);
 
         libMesh::Real T =  context.side_value(this->_T_var, qp);
         libMesh::Real R_mix = this->_chem_ptr->R_mix(mass_fractions);
         libMesh::Real rho = this->rho( T, this->_p0, R_mix );
 
         libMesh::Real Y_r = mass_fractions[this->_reactant_gas_species_idx];
 
         const libMesh::Real r_value = this->compute_reactant_gas_mass_flux(rho, Y_r, T);
 
         const libMesh::Real p_value = this->compute_product_mass_flux(rho, Y_r, T);
 
         for (unsigned int i=0; i != n_var_dofs; i++)
           {
             F_r_var(i) += sign*r_value*var_phi_side[i][qp]*jac;
 
             F_p_var(i) += sign*p_value*var_phi_side[i][qp]*jac;
 
             if( compute_jacobian )
               {
                 libmesh_not_implemented();
               }
           }
       }
 
     // We're not computing the Jacobian yet
     return false;
   }

template<typename Chemistry >

void GRINS::GasSolidCatalyticWall< Chemistry >::init ( const libMesh::FEMSystem & system )

virtual

Deprecated.

Reimplemented from GRINS::CatalyticWallBase< Chemistry >.

Definition at line 68 of file gas_solid_catalytic_wall.C.

   {
     libmesh_do_once(libmesh_deprecated());
 
     const std::string r_var_name = std::string("w_"+this->_chemistry.species_name( this->_reactant_gas_species_idx ) );
 
     const std::string p_var_name = std::string("w_"+this->_chemistry.species_name( this->_product_species_idx ) );
 
     libmesh_assert( system.has_variable( r_var_name ) );
     libmesh_assert( system.has_variable( p_var_name ) );
 
     this->_reactant_gas_var_idx = system.variable_number( r_var_name );
 
     this->_product_var_idx = system.variable_number( p_var_name );
 
     return;
   }

Member Data Documentation

template<typename Chemistry>

const unsigned int GRINS::GasSolidCatalyticWall< Chemistry >::_product_species_idx

protected

Definition at line 99 of file gas_solid_catalytic_wall.h.

template<typename Chemistry>

VariableIndex GRINS::GasSolidCatalyticWall< Chemistry >::_product_var_idx

protected

Definition at line 100 of file gas_solid_catalytic_wall.h.

template<typename Chemistry>

const unsigned int GRINS::GasSolidCatalyticWall< Chemistry >::_reactant_gas_species_idx

protected

Definition at line 94 of file gas_solid_catalytic_wall.h.

template<typename Chemistry>

VariableIndex GRINS::GasSolidCatalyticWall< Chemistry >::_reactant_gas_var_idx

protected

Definition at line 95 of file gas_solid_catalytic_wall.h.

template<typename Chemistry>

const unsigned int GRINS::GasSolidCatalyticWall< Chemistry >::_reactant_solid_species_idx

protected

Definition at line 97 of file gas_solid_catalytic_wall.h.

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

src/boundary_conditions/include/grins/gas_solid_catalytic_wall.h
src/boundary_conditions/src/gas_solid_catalytic_wall.C

Public Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

template<typename Chemistry> class GRINS::GasSolidCatalyticWall< Chemistry >

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<typename Chemistry>
class GRINS::GasSolidCatalyticWall< Chemistry >