This class characterizes a catalyst layer and uses this information to compute effective transport properties and interfacial areas for phase change or electrochemical reactions. More...

#include <homogeneous_CL.h>

Inheritance diagram for FuelCellShop::Layer::HomogeneousCL< dim >:

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Collaboration diagram for FuelCellShop::Layer::HomogeneousCL< dim >:

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Public Member Functions
Constructors, destructor, and initalization
	HomogeneousCL ()
	Prototye Constructor.

	~HomogeneousCL ()
	Destructor.

Accessors and info
virtual void	current_density (std::vector< double > &)
	This member function will use a FuelCellShop::BaseKinetics class in order to compute the current density production in the CL.

virtual void	current_density (std::vector< double > &current, std::vector< double > &effectiveness)
	This member function computes the current density production in the CL.

virtual void	derivative_current_density (std::map< VariableNames, std::vector< double > > &)
	This member function will use a FuelCellShop::BaseKinetics class in order to compute the derivative of the current density with respect to the variables setup using set_derivative_flags method.

Public Member Functions inherited from FuelCellShop::Layer::ConventionalCL< dim >
	ConventionalCL ()

	~ConventionalCL ()
	Destructor.

virtual void	print_layer_properties () const
	Print out the volume fraction in the catalyst layer.

virtual void	get_volume_fraction (double &epsilon_S_out, double &epsilon_V_out, double &epsilon_N_out) const
	Get the volume fractions in the catalyst layer.

virtual double	get_V_Pt () const
	Return the platinum loading per cm3 catalyst layer.

double	get_active_area_Pt () const
	Get the active area of platinum per unit volume of CL.

virtual void	effective_gas_diffusivity (const double &, double &) const
	Compute the effective diffusivty in the CL.

virtual void	effective_gas_diffusivity (Table< 2, Tensor< 2, dim > > &) const
	Compute the effective diffusivty in the CL.

virtual void	effective_electron_conductivity (double &) const
	Compute the effective electron conductivity in the CL.

virtual void	effective_electron_conductivity (Tensor< 2, dim > &) const
	Compute the effective electron conductivity in the CL as an anisotropic tensor.

virtual void	derivative_effective_electron_conductivity (std::vector< double > &) const
	Compute the derivative of the effective electron conductivity in the GDL with respect to either the solution or design parameters.

virtual void	effective_proton_conductivity (double &) const
	Compute the effective proton conductivity in the CL.

virtual void	effective_proton_conductivity (std::vector< double > &) const
	Compute the effective proton conductivity, at all quadrature points in the cell, mainly as a function of Temperature.

virtual void	derivative_effective_proton_conductivity (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the effective proton conductivity in the CL with respect to either the solution or design parameters.

virtual void	effective_water_diffusivity (double &) const
	Compute the effective water diffusivity (lambda diffusivity) in the CL.

virtual void	effective_water_diffusivity (std::vector< double > &) const
	Compute the effective water diffusivity (lambda diffusivity) at all quadrature points in the CL.

virtual void	derivative_effective_water_diffusivity (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the effective water diffusivity (lambda diffusivity) in the CL with respect to either the solution or design parameters.

Public Member Functions inherited from FuelCellShop::Layer::CatalystLayer< dim >
virtual void	set_constant_solution (const double &value, const VariableNames &name)
	Set those solution variables which are constant in the particular application.

virtual void	set_solution (const std::vector< SolutionVariable > &)
	This method is used to set the solution variable values in the kinetics object, at all quadrature points in the cell.

virtual void	set_derivative_flags (const std::vector< VariableNames > &flags)
	Method used to set the variables for which you would like to compute the derivatives in the catalyst layer.

void	set_reaction_kinetics (const std::string &rxn_name)
	Member function used to specify the reaction for which the kinetic parameters are needed, for example for a Platinum catalyst, we can specify that we need the kinetic parameters for either the oxygen reduction reaction (ORR) or the hydrogen oxidation reaction (HOR)

const std::type_info &	get_base_type () const
	This member function returns a type_info object with the name of the base layer type the inherited class belongs to, i.e.

virtual void	effective_gas_diffusivity (Table< 2, double > &) const
	Return the effective diffusivty in the GDL for all the gases assigned to the layer using set_gases_and_compute.

virtual void	derivative_effective_electron_conductivity (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of the effective electron conductivity in the GDL with respect to either the solution or design parameters.

virtual void	gas_permeablity (double &) const
	Compute the CL gas permeability.

virtual void	gas_permeablity (Tensor< 2, dim > &) const
	Compute the CL gas permeability.

virtual void	derivative_gas_permeablity (std::vector< double > &) const
	Compute the derivative of the effective gas permeability in the GDL with respect to either the solution or design parameters.

virtual void	derivative_gas_permeablity (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of the effective gas permeability in the GDL with respect to either the solution or design parameters.

virtual void	liquid_permeablity (double &) const
	Compute the GDL liquid permeability.

virtual void	liquid_permeablity (Tensor< 2, dim > &) const
	Compute the GDL liquid permeability.

virtual void	derivative_liquid_permeablity (std::vector< double > &) const
	Compute the derivative of the effective gas diffusion in the GDL with respect to either the solution or design parameters.

virtual void	derivative_liquid_permeablity (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of the effective gas diffusion in the GDL with respect to either the solution or design parameters.

virtual FuelCellShop::Material::PolymerElectrolyteBase *	get_electrolyte () const
	Method to provide access to pointer of the electrolyte object of the catalyst layer.

virtual FuelCellShop::Kinetics::BaseKinetics *	get_kinetics () const
	Method to provide access to pointer of the kinetic object of the catalyst layer.

Public Member Functions inherited from FuelCellShop::Layer::PorousLayer< dim >
void	set_gases_and_compute (std::vector< FuelCellShop::Material::PureGas * > &gases_in, const double &pressure_in, const double &temperature_in)
	Member function used to store all the gases that are in the pore space in the gas diffusion layer as well as their temperature [`Kelvin`] and total pressure [`atm`].

void	compute_gas_diffusion (FuelCellShop::Material::PureGas solute_gas, FuelCellShop::Material::PureGas solvent_gas)
	Member function used to compute bulk diffusion coefficients and derivatives w.r.t temperature for non-isothermal case and store inside the layer.

void	set_gases (std::vector< FuelCellShop::Material::PureGas * > &gases_in, const double &pressure_in)
	Member function used to store all the gases that are in the pore space in the porous layer.

void	set_temperature (const SolutionVariable &T_in)
	Member function used to set the temperature ]`Kelvin`] at every quadrature point inside the cell.

FuelCellShop::Material::PureGas *	get_gas_pointer (int index) const
	Return the FuelCellShop::Material::PureGas pointer that is stored inside the class in the ith position.

std::vector < FuelCellShop::Material::PureGas * >	get_gases () const
	Returns the vector of FuelCellShop::Material::PureGas pointers stored in the porous layer.

void	get_gas_index (FuelCellShop::Material::PureGas *gas_type, int &index) const
	Return the gas index in the GDL class.

void	get_T_and_p (double &T, double &p) const
	Return the constant temperature [`Kelvin`] and constant pressure [`atm`] inside the layer.

void	get_p (double &p) const
	Return the constant pressure [`atm`] inside the layer.

virtual bool	test_layer () const
	This virtual class should be used for any derived class to be able to test the functionality of the class.

Public Member Functions inherited from FuelCellShop::Layer::BaseLayer< dim >
void	set_position (std::vector< Point< dim > > &p)
	Member function used by some applications such as dummyGDL in order to know which value to return.

bool	belongs_to_material (const char material_id)
	Check if a given cell belongs to the catalyst layer.

const std::string &	name_material ()
	Return the name of the layer.

virtual bool	test_layer ()
	This virtual class should be used for any derived class to be able to test the functionality of the class.

unsigned int	get_material_id ()
	Return the material id of the layer.

Static Public Attributes
static const std::string	concrete_name
	Concrete name used for objects of this class.

Static Public Attributes inherited from FuelCellShop::Layer::ConventionalCL< dim >
static const std::string	concrete_name
	Concrete name used for objects of this class.

Protected Member Functions
Constructors and declarations
	HomogeneousCL (const std::string name)
	Constructor.

virtual void	declare_parameters (const std::string &cl_section_name, ParameterHandler &param) const
	Declare parameters for a parameter file.

virtual void	set_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, const std::string &cl_section_name, ParameterHandler &param) const
	Member function used to set new parameters values in the optimization loop.

void	initialize (ParameterHandler &param)
	Member function used to read in data and initialize the necessary data to compute the coefficients.

Instance Delivery (Replica creator)
virtual boost::shared_ptr < FuelCellShop::Layer::CatalystLayer < dim > >	create_replica (const std::string &cl_section_name)
	This member function is used to create an object of type gas diffusion layer.

Protected Member Functions inherited from FuelCellShop::Layer::ConventionalCL< dim >
void	compute_volume_fraction ()
	Compute porosity and volume fraction of solid and ionomer in the catalyst layer.

void	compute_Av ()
	Compute the active area of catalyst in the layer by the specified method.

void	derivative_effective_proton_conductivity_wrt_electrolyte_loading (double &) const
	Compute the derivative of the effective proton conductivity w.r.t.

void	derivative_volume_fractions (double &Depsilon_S, double &Depsilon_V, double &Depsilon_N) const
	Function to compute the partial derivative of the volume fraction the different phases in the catalyst layer with respect to the design variables of the optimization problem.

void	get_method_transport_property_pores (std::string &method)
	Get the effective transport method in the pores.

void	get_method_transport_property_electrolyte (std::string &method)
	Get the effective transport method in the electrolyte.

void	get_method_transport_property_solid (std::string &method)
	Get the effective transport method in the solid phase.

double	depsilon_S_cat_dprc_Pt (const double V_Pt, const double prc_Pt) const
	Inline function to compute \[ \frac{\partial \epsilon_S^{cat}}{\partial \%Pt} \] .

double	depsilon_S_cat_dVPt (const double prc_Pt) const
	Inline function to compute \[ \frac{\partial \epsilon_S^{cat}}{\partial m_{Pt}} \] .

double	depsilon_V_cat_depsilon_S_cat () const
	Inline function to compute \[ \frac{\partial \epsilon_V^{cat}}{\partial \epsilon_S^{cat}} \] .

double	depsilon_V_cat_depsilon_N_cat () const
	Inline function to compute \[ \frac{\partial \epsilon_V^{cat}}{\partial \epsilon_S^{cat}} \] .

	ConventionalCL (std::string name)
	Constructor.

Protected Member Functions inherited from FuelCellShop::Layer::CatalystLayer< dim >
	CatalystLayer ()

	~CatalystLayer ()
	Destructor.

	CatalystLayer (const std::string &name)
	Constructor.

Protected Member Functions inherited from FuelCellShop::Layer::PorousLayer< dim >
	PorousLayer (const std::string &name)
	Constructor.

	PorousLayer ()
	Constructor.

virtual	~PorousLayer ()
	Destructor.

virtual void	declare_parameters (ParameterHandler &param) const
	Declare parameters for a parameter file.

void	set_parameters (const std::string &object_name, const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, ParameterHandler &param)
	Member function used to change the values in the parameter file for a given list of parameters.

virtual void	set_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, ParameterHandler &param)
	Member function used to change the values in the parameter file for a given list of parameters.

virtual void	gas_diffusion_coefficients (Table< 2, double > &) const
	Return the molecular diffusivty all the gases assigned to the layer using set_gases_and_compute.

virtual void	derivative_gas_diffusion_coefficients (std::vector< Table< 2, double > > &) const
	Return the derivative of the molecular diffusion coefficient with respect to the derivative flags for all the gases assigned to the layer using set_gases_and_compute.

Protected Member Functions inherited from FuelCellShop::Layer::BaseLayer< dim >
	BaseLayer ()
	Constructor.

	BaseLayer (const std::string &name)
	Constructor.

virtual	~BaseLayer ()
	Destructor.

Static Protected Attributes
Instance Delivery (Prototype)
static HomogeneousCL< dim > const *	PROTOTYPE

Additional Inherited Members
Static Public Member Functions inherited from FuelCellShop::Layer::CatalystLayer< dim >
static void	declare_CatalystLayer_parameters (const std::string &cl_section_name, ParameterHandler &param)
	Function used to declare all the data necessary in the parameter files former all CatalystLayer children.

static void	set_CatalystLayer_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, const std::string &cl_section_name, ParameterHandler &param)

static boost::shared_ptr < FuelCellShop::Layer::CatalystLayer < dim > >	create_CatalystLayer (const std::string &cl_section_name, ParameterHandler &param)
	Function used to select the appropriate CatalystLayer type as specified in the ParameterHandler under line.

Protected Types inherited from FuelCellShop::Layer::CatalystLayer< dim >
typedef std::map< std::string, CatalystLayer< dim > * >	_mapFactory
	This object is used to store all objects of type CatalystLayer.

Static Protected Member Functions inherited from FuelCellShop::Layer::CatalystLayer< dim >
static _mapFactory *	get_mapFactory ()
	Return the map library that stores all childrens of this class.

Protected Attributes inherited from FuelCellShop::Layer::ConventionalCL< dim >
double	epsilon_N
	Volume fraction of Nafion in the cathode catalyst layer.

double	epsilon_V
	Void volume fraction (Porosity) of the catalyst layer.

double	epsilon_S
	Solid volume fraction in the catalyst layer.

double	epsilon_W
	Volume fraction of water in the cathode catalyst layer.

double	rho_Pt
	Density of platinum.

double	rho_c
	Density of support material.

double	prc_Pt
	Percentage of platinum per carbon on the catalyst layer.

double	V_Pt
	Platinum loading at the catalyst layer per unit volume.

double	M_Pt
	Platinum loading at the catalyst layer per unit area.

double	Av
	Active area of catalyst per unit volume of catalyst layer.

std::string	method_Av
	Method to compute active area.

std::string	method_porosity
	Method to compute porosity.

double	L_CL
	Layer thickness.

double	rho_N
	Density of electrolyte.

double	loading_N
	Electrolyte loading.

double	prc_N
	Percentage (mass fraction) of electrolyte in the catalyst layer.

std::string	method_eff_property_pores
	Method used to compute effective properties – Type of network.

double	porosity_th
	Porous network threshold.

double	porosity_mu
	Porous network constant.

double	porosity_gamma

std::string	method_eff_property_solid
	Method used to compute effective properties – Type of network.

double	solid_electron_conductivity
	Input electron conductivity.

double	solid_th
	Solid phase network threshold.

double	solid_mu
	Solid phase network constant.

std::string	method_eff_property_electrolyte
	Method used to compute effective properties – Type of network.

double	electrolyte_proton_conductivity
	Input electrolyte proton conductivity.

double	electrolyte_th
	Electrolyte network threshold.

double	electrolyte_mu
	Electrolyte network constant.

double	sigma_p
	Electrolyte proton conductivity.

double	E0
	Theoretical open-circuit voltage under the operating conditions.

Friend class for Unit Testing

Detailed Description

template<int dim>
class FuelCellShop::Layer::HomogeneousCL< dim >

This class characterizes a catalyst layer and uses this information to compute effective transport properties and interfacial areas for phase change or electrochemical reactions.

This class implements a macrohomogeneous catalyst layer.

Constructor & Destructor Documentation

template<int dim>

FuelCellShop::Layer::HomogeneousCL< dim >::HomogeneousCL ( )

Prototye Constructor.

Warning: For internal use only

template<int dim>

FuelCellShop::Layer::HomogeneousCL< dim >::~HomogeneousCL ( )

Destructor.

template<int dim>

FuelCellShop::Layer::HomogeneousCL< dim >::HomogeneousCL ( const std::string name )

protected

Constructor.

Member Function Documentation

template<int dim>

virtual boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > FuelCellShop::Layer::HomogeneousCL< dim >::create_replica ( const std::string & cl_section_name )

inlineprotectedvirtual

This member function is used to create an object of type gas diffusion layer.

Warning: This class MUST be redeclared in every child.

Reimplemented from FuelCellShop::Layer::CatalystLayer< dim >.

template<int dim>

virtual void FuelCellShop::Layer::HomogeneousCL< dim >::current_density ( std::vector< double > & )

virtual

This member function will use a FuelCellShop::BaseKinetics class in order to compute the current density production in the CL.

Reimplemented from FuelCellShop::Layer::CatalystLayer< dim >.

Referenced by FuelCellShop::Layer::HomogeneousCL< dim >::current_density().

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template<int dim>

virtual void FuelCellShop::Layer::HomogeneousCL< dim >::current_density	(	std::vector< double > &	current,
		std::vector< double > &	effectiveness
	)

inlinevirtual

This member function computes the current density production in the CL.

First argument is current density, and second is effectiveness, at all quadrature points in the cell. Since this is a macro-homogeneous layer, effectiveness is filled as 1.0

Reimplemented from FuelCellShop::Layer::CatalystLayer< dim >.

References FuelCellShop::Layer::HomogeneousCL< dim >::current_density().

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template<int dim>

virtual void FuelCellShop::Layer::HomogeneousCL< dim >::declare_parameters	(	const std::string &	cl_section_name,
		ParameterHandler &	param
	)		const

protectedvirtual

Declare parameters for a parameter file.

Note: This member function must be virtual since it will be accessed via pointers for all children.

Reimplemented from FuelCellShop::Layer::ConventionalCL< dim >.

template<int dim>

virtual void FuelCellShop::Layer::HomogeneousCL< dim >::derivative_current_density ( std::map< VariableNames, std::vector< double > > & )

virtual

This member function will use a FuelCellShop::BaseKinetics class in order to compute the derivative of the current density with respect to the variables setup using set_derivative_flags method.

Reimplemented from FuelCellShop::Layer::CatalystLayer< dim >.

template<int dim>

void FuelCellShop::Layer::HomogeneousCL< dim >::initialize ( ParameterHandler & param )

protectedvirtual

Member function used to read in data and initialize the necessary data to compute the coefficients.

Reimplemented from FuelCellShop::Layer::ConventionalCL< dim >.

template<int dim>

virtual void FuelCellShop::Layer::HomogeneousCL< dim >::set_parameters	(	const std::vector< std::string > &	name_dvar,
		const std::vector< double > &	value_dvar,
		const std::string &	cl_section_name,
		ParameterHandler &	param
	)		const

protectedvirtual

Member function used to set new parameters values in the optimization loop.

Member function used to set new parameters values in the optimization loop

Note: This member function is used when using the Instance Delivery protocol (HIGHLY RECOMMENDED)

Reimplemented from FuelCellShop::Layer::ConventionalCL< dim >.

Member Data Documentation

template<int dim>

const std::string FuelCellShop::Layer::HomogeneousCL< dim >::concrete_name

static

Concrete name used for objects of this class.

This name is used when setting up the subsection where the data is stored in the input file.

The data will be store under

subsection name_specified_in_constructor
   set Material id = 2
   set Catalyst layer type = DummyCL # <-here I select the type of object of type CatalystLayer
   subsection DummyCL # <- this is the concrete_name for this class
      set all info relevant to this object
   end
end

template<int dim>

HomogeneousCL<dim> const* FuelCellShop::Layer::HomogeneousCL< dim >::PROTOTYPE

staticprotected

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

homogeneous_CL.h

Public Member Functions

Static Public Attributes

Protected Member Functions

Static Protected Attributes

Additional Inherited Members

Detailed Description

template<int dim> class FuelCellShop::Layer::HomogeneousCL< dim >

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<int dim>
class FuelCellShop::Layer::HomogeneousCL< dim >