Virtual class used to provide the interface for all CatalystLayer children. More...

#include <catalyst_layer.h>

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

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

Public Member Functions
virtual void	set_cell_id (const unsigned int &id)
	Function for setting current cell_id from applications. More...

std::string	get_kinetics_type ()
	Method for getting string describing kinetics type (corresponding to kinetics class concrete names) More...

virtual SolutionMap	get_coverages ()
	Method for getting coverages from kinetics objects (overloaded by MultiScaleCL) More...

Initalization
virtual void	set_constant_solution (const double &value, const VariableNames &name)
	Set those solution variables which are constant in the particular application. More...

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. More...

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. More...

void	set_reaction_kinetics (const ReactionNames 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) More...

Accessors and info
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. More...

virtual void	get_volume_fractions (std::map< std::string, double > &)
	Compute the volume fractions of each phase. More...

virtual void	get_loadings (std::map< std::string, double > &)
	Return loadings. More...

Effective property calculators
virtual void	effective_gas_diffusivity (const double &, const double &, double &) const
	Compute the effective property in the pores of the CL. More...

virtual void	effective_gas_diffusivity (std::vector< Tensor< 2, dim > > &) const
	Return the effective diffusivity [`m^2/s`] for nonisothermal with/without two-phase case in the CL. More...

virtual void	derivative_effective_gas_diffusivity (std::map< VariableNames, std::vector< Tensor< 2, dim > > > &) const
	Return the derivative of effective diffusivity w.r.t solution variables/design parameters for nonisothermal with/without two-phase case in the CL. More...

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

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

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

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. More...

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. More...

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

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. More...

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. More...

virtual void	effective_thermal_conductivity (double &) const
	Compute the effective thermal conductivity in the CL. More...

virtual void	effective_thermal_conductivity (Tensor< 2, dim > &) const
	Compute the effective thermal conductivity in the CL. More...

virtual void	effective_thermal_conductivity (std::vector< Tensor< 2, dim > > &) const
	Compute the effective thermal conductivity as a Tensor at all quadrature points. More...

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

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

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

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

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. More...

virtual void	effective_thermoosmotic_diffusivity (std::vector< double > &) const
	Compute the effective thermo-osmotic diffusivity of lambda (sorbed water), at all quadrature points in the CL. More...

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

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

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

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. More...

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. More...

virtual void	liquid_permeablity (std::vector< Tensor< 2, dim > > &) const
	Compute the anisotropic CL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell. More...

virtual void	derivative_liquid_permeablity (std::map< VariableNames, std::vector< Tensor< 2, dim > > > &) const
	Compute the derivative of the anisotropic liquid permeability in the CL with respect to either the solution or design parameters, at all quadrature points in the cell. More...

virtual void	relative_liquid_permeability_PSD (std::vector< Tensor< 2, dim > > &) const
	Compute the anisotropic CL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell. More...

virtual void	derivative_relative_liquid_permeablity_PSD (std::map< VariableNames, std::vector< Tensor< 2, dim > > > &) const

virtual void	derivative_relative_liquid_permeablity_PSD (std::vector< double > &) const

virtual void	saturated_liquid_permeablity_PSD (double &) const

virtual void	pcapillary (std::vector< double > &) const
	Compute $p_c \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the cell. More...

virtual void	saturation_from_capillary_equation (std::vector< double > &) const

virtual void	derivative_saturation_from_capillary_equation_PSD (std::vector< double > &) const

virtual void	dpcapillary_dsat (std::vector< double > &) const
	Compute $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the CL. More...

virtual void	derivative_dpcapillary_dsat (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ in the CL, with respect to either the solution or design parameters, at all quadrature points in the cell. More...

virtual void	interfacial_surface_area (std::vector< double > &) const
	Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the CL. More...

virtual void	derivative_interfacial_surface_area (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL. More...

virtual void	interfacial_surface_area_PSD (std::vector< double > &) const
	Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the CL. More...

virtual void	derivative_interfacial_surface_area_PSD (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL. More...

virtual void	derivative_interfacial_surface_area_PSD (std::vector< double > &) const

Reaction terms
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. More...

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

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. More...

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

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

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

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`]. More...

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). More...

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. More...

void	set_gas_mixture (FuelCellShop::Material::GasMixture &rgas_mixture)
	Set `gas_mixture`. More...

void	set_porosity_permeability_tortuosity_booleans (const bool &rporosity_is_constant, const bool &rpermeability_is_constant, const bool &rtortuosity_is_constant)
	Set. More...

void	set_pressure (const SolutionVariable &p_in)
	Member function used to set the temperature [`Kelvin`] at every quadrature point inside the cell. More...

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

void	set_saturation (const SolutionVariable &s_in)
	Member function used to set the liquid water saturation at every quadrature point inside the cell. More...

void	set_capillary_pressure (const SolutionVariable &p_in)
	Member function used to set the liquid water saturation at every quadrature point inside the cell. More...

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. More...

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

const FuelCellShop::Material::GasMixture *const	get_gas_mixture () const
	This function returns `gas_mixture`. More...

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

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

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

const bool &	get_porosity_is_constant () const
	This function returns `porosity_is_constant`. More...

const bool &	get_permeability_is_constant () const
	This function returns `permeability_is_constant`. More...

const bool &	get_tortuosity_is_constant () const
	This function returns `tortuosity_is_constant`. More...

double	get_porosity () const
	This function computes constant porosity in quadrature points of a mesh entity. More...

void	get_porosity (std::vector< double > &dst) const
	This function computes constant porosity in quadrature points of a mesh entity. More...

void	get_porosity (std::vector< double > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable porosity in quadrature points of a mesh entity. More...

void	get_permeability (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes constant permeability in quadrature points of a mesh entity. More...

void	get_permeability (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes square root of constant permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes square root of variable permeability in quadrature points of a mesh entity. More...

void	get_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes inverse of constant permeability in quadrature points of a mesh entity. More...

void	get_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes inverse of variable permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes inverse of square root of constant permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes inverse of square root of variable permeability in quadrature points of a mesh entity. More...

void	get_Forchheimer_permeability (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes constant Forchheimer permeability in quadrature points of a mesh entity. More...

void	get_Forchheimer_permeability (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable Forchheimer permeability in quadrature points of a mesh entity. More...

void	get_tortuosity (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes constant tortuosity in quadrature points of a mesh entity. More...

void	get_tortuosity (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable tortuosity in quadrature points of a mesh entity. More...

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

virtual void	gas_diffusion_coefficient (std::vector< double > &D_b) const
	Member function used to compute diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

virtual void	gas_diffusion_coefficient (std::vector< double > &D_b, std::vector< double > &dD_b_dT) const
	Member function used to compute diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

void	molecular_gas_diffusion_coefficient (std::vector< double > &D_m) const
	Member function used to compute molecular diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

void	molecular_gas_diffusion_coefficient (std::vector< double > &D_m, std::vector< double > &dD_m_dT) const
	Member function used to compute molecular diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

void	Knudsen_diffusion (std::vector< double > &D) const
	Member function used to get the Knudsen diffusivity in the layer after calling compute_gas_diffusion. More...

void	Knudsen_diffusion (std::vector< double > &D, std::vector< double > &dD_dT) const
	Member function used to compute the Knudsen diffusivity in the layer.after calling compute_gas_diffusion. More...

void	compute_Knudsen_diffusion (const FuelCellShop::Material::PureGas *solute_gas, const SolutionVariable &T_in, std::vector< double > &D_k) const
	Member function used to compute the Knudsen diffusivity in the layer. More...

void	compute_Knudsen_diffusion (const FuelCellShop::Material::PureGas *solute_gas, const SolutionVariable &T_in, std::vector< double > &D_k, std::vector< double > &dD_k_dT) const
	Member function used to compute the Knudsen diffusivity in the layer. More...

virtual void	print_layer_properties () const
	This member function is a virtual class that can be used to output to screen information from the layer. More...

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

virtual void	set_local_material_id (const unsigned int &id)
	Function for setting local material id, for unit testing purposes. More...

void	unset_local_material_id ()
	Function for unsetting local material id, so that it isn't incorrectly used later Once the key is "unset" to some invalid value, an error will be thrown if the key is requested again without being set. More...

bool	belongs_to_material (const unsigned int material_id)
	Check if a given cell belongs to the catalyst layer and assign. More...

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

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

std::vector< unsigned int >	get_material_ids ()
	Return the local material id of the layer. More...

unsigned int	local_material_id () const
	Return the local material id of the layer, performs a check. More...

Static Public Member Functions
Instance Delivery (Functions)
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. More...

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. More...

Protected Types
Instance Delivery (Types)
typedef std::map< std::string, CatalystLayer< dim > * >	_mapFactory
	This object is used to store all objects of type CatalystLayer. More...

Protected Member Functions
Constructors, destructor, and initalization
	CatalystLayer ()

	~CatalystLayer ()
	Destructor. More...

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

virtual void	declare_parameters (const std::string &name, ParameterHandler &param) const
	Default virtual declare parameters for a parameter file. More...

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

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

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

	PorousLayer ()
	Constructor. More...

	PorousLayer (const std::string &name, FuelCellShop::Material::GasMixture &gas_mixture)
	Constructor. More...

virtual	~PorousLayer ()
	Destructor. More...

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

void	print_caller_name (const std::string &caller_name) const
	This function is used to print out the name of another function that has been declared in the scope of this class, but not yet been implemented. More...

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. More...

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. More...

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

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

virtual	~BaseLayer ()
	Destructor. More...

virtual 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. More...

virtual void	set_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, ParameterHandler &param)
	Set parameters in parameter file. More...

Static Protected Member Functions
Instance Delivery (Function)
static _mapFactory *	get_mapFactory ()
	Return the map library that stores all childrens of this class. More...

Protected Attributes
Internal variables
std::string	diffusion_species_name
	If CL properties are stored inside the class (e.g. More...

bool	default_materials
	If the default materials are used in the layer, this will be set to true. More...

std::string	catalyst_type
	Catalyst type from input file. More...

std::string	catalyst_support_type
	Catalyst Support type from input file. More...

std::string	electrolyte_type
	Electrolyte type from input file. More...

std::string	kinetics_type
	Kinetic class type from input file. More...

std::string	PSD_type
	PSD class type from input file. More...

boost::shared_ptr < FuelCellShop::Material::PolymerElectrolyteBase >	electrolyte
	Pointer to the electrolyte object created in the application that is used to calculate the properties of the electrolyte in the catalyst layer. More...

boost::shared_ptr < FuelCellShop::Material::CatalystSupportBase >	catalyst_support
	Pointer to the catalyst support object created in the application that is used to calculate the carbon black conductivity in the catalyst layer. More...

boost::shared_ptr < FuelCellShop::Material::CatalystBase >	catalyst
	Pointer to the catalyst object created in the application that is used to store the properties of the catalyst used in the layer. More...

boost::shared_ptr < FuelCellShop::Kinetics::BaseKinetics >	kinetics
	Pointer to a kinetics object. More...

unsigned int	n_quad
	Stores the number of quadrature points in the cell. More...

std::map< VariableNames,SolutionVariable >	solutions
	Map storing solution variables. More...

VariableNames	reactant
	Name of the reactant which is being solved for in the catalyst layer. More...

Protected Attributes inherited from FuelCellShop::Layer::PorousLayer< dim >
FuelCellShop::Material::GasMixture *	gas_mixture
	Gas mixture. More...

std::vector < FuelCellShop::Material::PureGas * >	gases
	Gases inside a porous layer. More...

bool	porosity_is_constant
	Variable defining if the porosity is constant. More...

bool	permeability_is_constant
	Variable defining if the permeability is constant. More...

bool	tortuosity_is_constant
	Variable defining if the tortuosity is constant. More...

double	porosity
	User defined constant porosity. More...

bool	use_Bosanquet
	Boolean flag that specifies if Knudsen effects should be accounted for. More...

double	Knudsen_radius
	Parameter used to define Knudsen pore radius. More...

SymmetricTensor< 2, dim >	permeability
	User defined constant permeability, m^2. More...

SymmetricTensor< 2, dim >	SQRT_permeability
	Square root of user defined constant permeability, m. More...

SymmetricTensor< 2, dim >	permeability_INV
	Inverse of user defined constant permeability, 1/m^2. More...

SymmetricTensor< 2, dim >	SQRT_permeability_INV
	Inverse of square root of user defined constant permeability, 1/m. More...

SymmetricTensor< 2, dim >	Forchheimer_permeability
	User defined constant Forchheimer permeability, 1/m. More...

SymmetricTensor< 2, dim >	tortuosity
	User defined constant tortuosity. More...

std::string	diffusion_species_name
	If GDL properties are stored inside the class (e.g DummyGDL) then, return the property stored under coefficient_name name. More...

double	temperature
	Temperature [`K`] used to compute gas diffusivity. More...

double	pressure
	Total pressure [`atm`] used to compute gas diffusivity. More...

SolutionVariable	p_vector
	Pressure at every quadrature point inside the cell in [Pa]. More...

SolutionVariable	T_vector
	Temperature at every quadrature point inside the cell in [K]. More...

SolutionVariable	s_vector
	Liquid water saturation at every quadrature point inside the cell [-]. More...

SolutionVariable	capillary_pressure_vector
	Liquid water capillary pressure at every quadrature point inside the cell in [Pa]. More...

Table< 2, double >	D_ECtheory
	Tensor of diffusion coefficients This are computed with setting up the gas so that they do not need to be recomputed all the time. More...

std::vector< Table< 2, double > >	dD_ECtheory_dx
	Vector of tensors for the derivative of the diffusion coefficients – This are computed with setting up the gas so that they do not need to be recomputed all the time. More...

std::vector< double >	D_molecular
	Vector of molecular diffusion coefficients at every quadrature point inside the cell in m^2/s. More...

std::vector< double >	dD_molecular_dT
	Vector of derivatives for molecular diffusion coefficients w.r.t temperature, at every quadrature in m^2/s. More...

std::vector< double >	D_k
	Vector of Knudsen diffusion coefficients at every quadrature point inside the cell in m^2/s. More...

std::vector< double >	dD_k_dT
	Vector of derivatives for Knudsen diffusion coefficients w.r.t temperature, at every quadrature in m^2/s. More...

std::vector< double >	D_bulk
	Vector of bulk diffusion coefficients at every quadrature point inside the cell. More...

std::vector< double >	dD_bulk_dT
	Vector of derivative of bulk diffusion coefficients w.r.t temperature, at every quadrature point inside the cell. More...

bool	PSD_is_used
	Boolean flag to specify if a PSD is to be used to estimate saturation, permeability, etc. More...

std::string	PSD_type
	PSD class type from input file. More...

boost::shared_ptr < FuelCellShop::MicroScale::BasePSD < dim > >	PSD
	Pointer to the PSD object. More...

FuelCellShop::MicroScale::BasePSD < dim > *	psd_pointer
	Pointer to the PSD object. More...

FuelCellShop::Material::PureGas *	solute_gas
	Pointer used to store the solute gas for computing binary diffusion coefficients. More...

FuelCellShop::Material::PureGas *	solvent_gas
	Pointer used to store the solute gas for computing binary diffusion coefficients. More...

Protected Attributes inherited from FuelCellShop::Layer::BaseLayer< dim >
const std::string	name
	Name of the layer. More...

std::vector< unsigned int >	material_ids
	List of material IDs that belong to the layer. More...

std::vector< Point< dim > >	point
	Coordinates of the point where we would like to compute the effective properties. More...

std::vector< VariableNames >	derivative_flags
	Flags for derivatives: These flags are used to request derivatives. More...

std::map< VariableNames, double >	constant_solutions
	Map storing values of solution variables constant in a particular application. More...

Friends
Friend class for Unit Testing
class	::MultiScaleCLTest
	Friend class for testing purposes. More...

Detailed Description

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

Virtual class used to provide the interface for all CatalystLayer children.

No object of type CatalystLayer should ever be created, instead this layer is used to initialize pointers of type CatalystLayer. The class has a database of children such that it will declare all necessary parameters for all children in the input file, read the input file, create the appripriate children and return a pointer to CatalystLayer with the children selected.

All public functions are virtual but the static functions used to declare parameters and to initialize a pointer of CatalystLayer, i.e. declare_all_CatalystLayer_parameters, set_all_CatalystLayer_parameters and create_CatalystLayer.

Usage Details:

In order to create a catalyst layer within an application, the following steps need to be taken.

First, in the application .h file, create a pointer to a CatalystLayer object, i.e.

* boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > CCL;

*

This pointer object will be available anywhere inside the application. Because we do not want to worry about deleting the pointer afterwards, we use a Boost pointer which has its own memory management algorithms. See the Boost website for more information

Once the pointer is available, we need to do three things in the application

Call declare_CatalystLayer_parameters in the application declare_parameters() member function. This member function is used to define all parameters that can be read from the input file
Call create_CatalystLayer and initialize. The former member function will fill the pointer created above with the appropriate catalyst layer you have selected in the input file. Then, initialize reads from the input file all the data from the file in order to setup the object.

The object is ready for use now.

Here is a code example from app_cathode.cc:

* //--------- IN DECLARE_PARAMETERS ------------------------------------------------------
* template <int dim>
* void 
* NAME::AppCathode<dim>::declare_parameters(ParameterHandler& param)
* {
*   (...)
*   // Declare section on the input file where all info will be stored. In this case Fuel Cell Data > Cathode catalyst layer
*   FuelCellShop::Layer::CatalystLayer<dim>::declare_CatalystLayer_parameters("Cathode catalyst layer", param);
*   (...)
* }
* 
* //--------- IN INITIALIZE ------------------------------------------------------
* template <int dim>
* void
* NAME::AppCathode<dim>::_initialize(ParameterHandler& param)
* {    
*   (...)
*   // Initialize layer classes:
*    std::vector< FuelCellShop::Material::PureGas * > gases;
*    gases.push_back(&oxygen);
*    gases.push_back(&nitrogen);
*    
*    catalyst.initialize(param);
*    electrolyte.initialize(param);
*    catalyst_support.initialize(param);  
*     
*    // Create a catalyst layer. When you create the layer, you also specify the type of electrolyte, catalyst support and catalyst in the layer. For example,
*    // a conventional catalyst layer will take a FuelCellShop::Material::Nafion type electrolyte, a FuelCellShop::Material::Carbon support
*    // and a FuelCellShop::Material::Platinum catalyst.
*    CCL = FuelCellShop::Layer::CatalystLayer<dim>::create_CatalystLayer("Cathode catalyst layer", param);
* 
*    // Here, I specify the gases that exist in the CCL and their temperature and pressure (based on operating conditions):
*    CCL->set_gases_and_compute(gases, OC.get_pc_atm (), OC.get_T());
*    // Initialise the necessary kinetics parameters in CCL.
*   (...)
* }
* 

Member Typedef Documentation

template<int dim>

typedef std::map< std::string, CatalystLayer<dim>* > FuelCellShop::Layer::CatalystLayer< dim >::_mapFactory

protected

This object is used to store all objects of type CatalystLayer.

This information in then used in layer_generator.h in order to create the correct object depending on the specified concrete type of layer selected such as DummyCL.

Constructor & Destructor Documentation

template<int dim>

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

protected

Warning: For internal use only.

Constructor used only to create a prototype. Do not use in general since this will not include the name of the section in the parameter file you need.

template<int dim>

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

protected

Destructor.

template<int dim>

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

protected

Constructor.

Member Function Documentation

template<int dim>

static boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > FuelCellShop::Layer::CatalystLayer< dim >::create_CatalystLayer	(	const std::string &	cl_section_name,
		ParameterHandler &	param
	)

inlinestatic

Function used to select the appropriate CatalystLayer type as specified in the ParameterHandler under line.

* set Catalyst layer type = DummyCL

*

current options are [ DummyCL | MultiScaleCL | HomogeneousCL ]

The class will read the appropriate section in the parameter file, i.e. the one with name

Parameters

cl_section_name,create an object of the desired type and return it.

References FuelCellShop::Layer::CatalystLayer< dim >::create_replica(), FuelCellShop::Layer::CatalystLayer< dim >::get_mapFactory(), and FcstUtilities::log.

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template<int dim>

virtual boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > FuelCellShop::Layer::CatalystLayer< dim >::create_replica ( const std::string & 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 in FuelCellShop::Layer::MultiScaleCL< dim >, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >, FuelCellShop::Layer::DummyCL< dim >, and FuelCellShop::Layer::HomogeneousCL< dim >.

References FcstUtilities::log.

Referenced by FuelCellShop::Layer::CatalystLayer< dim >::create_CatalystLayer().

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template<int dim>

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

inlinevirtual

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

Reimplemented in FuelCellShop::Layer::DummyCL< dim >, FuelCellShop::Layer::MultiScaleCL< dim >, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >, and FuelCellShop::Layer::HomogeneousCL< dim >.

References FcstUtilities::log.

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

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template<int dim>

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

inlinevirtual

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

First argument is current density, and second is effectiveness at all quadrature points in the cell.

Reimplemented in FuelCellShop::Layer::DummyCL< dim >, FuelCellShop::Layer::MultiScaleCL< dim >, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >, and FuelCellShop::Layer::HomogeneousCL< dim >.

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

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template<int dim>

static void FuelCellShop::Layer::CatalystLayer< dim >::declare_CatalystLayer_parameters	(	const std::string &	cl_section_name,
		ParameterHandler &	param
	)

inlinestatic

Function used to declare all the data necessary in the parameter files former all CatalystLayer children.

This member function should be used instead of declare_parameters() when we want to use a CatalystLayer pointer that selects the type of CL to run at runtime.

Parameters

cl_section_name	Name of the section that will encapuslate all the information about the CL
param	ParameterHandler object used to store all information about the simulation. Used to read the parameter file.

The parameter file would look as follows:

subsection cl_section_name set Catalyst layer type = DummyCL # Options: DummyCL | HomogeneousCL | MultiScaleCL set Catalyst type = Platinum # Options: Platinum set Catalyst support type = CarbonBlack # Options: CarbonBlack set Electrolyte type = Nafion # Options: Nafion

References FuelCellShop::Layer::CatalystLayer< dim >::get_mapFactory().

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template<int dim>

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

protectedvirtual

Default virtual 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::PorousLayer< dim >.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, FuelCellShop::Layer::MultiScaleCL< dim >, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >, FuelCellShop::Layer::DummyCL< dim >, and FuelCellShop::Layer::HomogeneousCL< dim >.

Referenced by FuelCellShop::Layer::DummyCL< dim >::declare_parameters().

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template<int dim>

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

inlinevirtual

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.

Reimplemented in FuelCellShop::Layer::DummyCL< dim >, FuelCellShop::Layer::MultiScaleCL< dim >, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >, and FuelCellShop::Layer::HomogeneousCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_dpcapillary_dsat ( std::map< VariableNames, std::vector< double > > & ) const

inlinevirtual

Compute the derivative of $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ in the CL, with respect to either the solution or design parameters, at all quadrature points in the cell.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags().

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_electron_conductivity ( std::vector< double > & ) const

inlinevirtual

Compute the derivative of the effective electron conductivity in the GDL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_electron_conductivity ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Compute the derivative of the effective electron conductivity in the GDL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_gas_diffusivity ( std::map< VariableNames, std::vector< Tensor< 2, dim > > > & ) const

inlinevirtual

Return the derivative of effective diffusivity w.r.t solution variables/design parameters for nonisothermal with/without two-phase case in the CL.

It transforms bulk diffusion properties computed using compute_gas_diffusion method and transforms it into an effective property, taking into account the porosity, saturation and CL structure (Anisotropic case), at all quadrature points of the cell.

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

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_proton_conductivity ( std::map< VariableNames, std::vector< double > > & ) const

inlinevirtual

Compute the derivative of the effective proton conductivity in the CL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_thermal_conductivity ( std::vector< double > & ) const

inlinevirtual

Compute the derivative of the effective thermal conductivity in the CL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_thermal_conductivity ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Compute the derivative of the effective thermal conductivity in the CL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_thermoosmotic_diffusivity ( std::map< VariableNames, std::vector< double > > & ) const

inlinevirtual

Compute the derivative of the effective thermo-osmotic diffusivity of lambda (sorbed water) in the CL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_effective_water_diffusivity ( std::map< VariableNames, std::vector< double > > & ) const

inlinevirtual

Compute the derivative of the effective water diffusivity (lambda diffusivity) in the CL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_gas_permeablity ( std::vector< double > & ) const

inlinevirtual

Compute the derivative of the effective gas permeability in the GDL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_gas_permeablity ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Compute the derivative of the effective gas permeability in the GDL with respect to either the solution or design parameters.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_interfacial_surface_area ( std::map< VariableNames, std::vector< double > > & ) const

inlinevirtual

Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags().

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_interfacial_surface_area_PSD ( std::map< VariableNames, std::vector< double > > & ) const

inlinevirtual

Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags().

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_interfacial_surface_area_PSD ( std::vector< double > & ) const

inlinevirtual

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_liquid_permeablity ( std::map< VariableNames, std::vector< Tensor< 2, dim > > > & ) const

inlinevirtual

Compute the derivative of the anisotropic liquid permeability in the CL with respect to either the solution or design parameters, at all quadrature points in the cell.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_relative_liquid_permeablity_PSD ( std::map< VariableNames, std::vector< Tensor< 2, dim > > > & ) const

inlinevirtual

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_relative_liquid_permeablity_PSD ( std::vector< double > & ) const

inlinevirtual

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::derivative_saturation_from_capillary_equation_PSD ( std::vector< double > & ) const

inlinevirtual

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::dpcapillary_dsat ( std::vector< double > & ) const

inlinevirtual

Compute $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the CL.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_electron_conductivity ( double & ) const

inlinevirtual

Compute the effective electron conductivity in the CL.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_electron_conductivity ( Tensor< 2, dim > & ) const

inlinevirtual

Compute the effective electron conductivity in the CL.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_gas_diffusivity	(	const double &	,
		const double &	,
		double &
	)		const

inlinevirtual

Compute the effective property in the pores of the CL.

This is used for example to compute effective diffusivity of gases. The method takes in bulk diffusion coefficient [m^2/s] and liquid water saturation as the first and second argument respectively. This routine is used in the isotropic case.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_gas_diffusivity ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Return the effective diffusivity [m^2/s] for nonisothermal with/without two-phase case in the CL.

It takes bulk diffusivity, computed using compute_gas_diffusion method and transforms it into an effective property, taking into account the porosity, saturation and CL structure (Anisotropic case), at all quadrature points of the cell.

Note: : For two-phase case, set_saturation should be called before using this method, otherwise this method assumes saturation value to be zero.

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

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_gas_diffusivity ( Table< 2, Tensor< 2, dim > > & ) const

inlinevirtual

Compute the effective property in the pores of the CL.

This is used to compute effective diffusivity of gases. This routine can be used either in the isotropic or anisotropic cases. Bulk diffusion coefficients or their derivatives are obtained from Mixure::BinaryDiffusion classes inside this method.

Note: The routine FuelCellShop::Layer::PorousLayer< dim >::set_gases_and_compute (std::vector< FuelCellShop::Material::PureGas * > &gases, double pressure, double temperature) (in the parent class) should have been called prior to using this class. This method is to be used only for a single-phase, isothermal application.

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

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_proton_conductivity ( double & ) const

inlinevirtual

Compute the effective proton conductivity in the CL.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_proton_conductivity ( std::vector< double > & ) const

inlinevirtual

Compute the effective proton conductivity, at all quadrature points in the cell, mainly as a function of Temperature.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_thermal_conductivity ( double & ) const

inlinevirtual

Compute the effective thermal conductivity in the CL.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_thermal_conductivity ( Tensor< 2, dim > & ) const

inlinevirtual

Compute the effective thermal conductivity in the CL.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_thermal_conductivity ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Compute the effective thermal conductivity as a Tensor at all quadrature points.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_thermoosmotic_diffusivity ( std::vector< double > & ) const

inlinevirtual

Compute the effective thermo-osmotic diffusivity of lambda (sorbed water), at all quadrature points in the CL.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_water_diffusivity ( double & ) const

inlinevirtual

Compute the effective water diffusivity (lambda diffusivity) in the CL.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::effective_water_diffusivity ( std::vector< double > & ) const

inlinevirtual

Compute the effective water diffusivity (lambda diffusivity) at all quadrature points in the CL.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::gas_permeablity ( double & ) const

inlinevirtual

Compute the CL gas permeability.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::gas_permeablity ( Tensor< 2, dim > & ) const

inlinevirtual

Compute the CL gas permeability.

References FcstUtilities::log.

template<int dim>

virtual double FuelCellShop::Layer::CatalystLayer< dim >::get_active_area_Pt ( ) const

inlinevirtual

Get the active area of platinum per unit volume of CL.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

References FcstUtilities::log.

template<int dim>

const std::type_info& FuelCellShop::Layer::CatalystLayer< dim >::get_base_type ( ) const

inlinevirtual

This member function returns a type_info object with the name of the base layer type the inherited class belongs to, i.e.

Note that this is necessary if we want to find out not the name of the actual class which can be obtain using

const std::type_info& name = typeid(*this)

but the name of the parent class.

Note: Do not re-implement this class in children classes

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

template<int dim>

virtual SolutionMap FuelCellShop::Layer::CatalystLayer< dim >::get_coverages ( )

virtual

Method for getting coverages from kinetics objects (overloaded by MultiScaleCL)

Reimplemented in FuelCellShop::Layer::MultiScaleCL< dim >, and FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >.

template<int dim>

virtual FuelCellShop::Material::PolymerElectrolyteBase* FuelCellShop::Layer::CatalystLayer< dim >::get_electrolyte ( ) const

inlinevirtual

Method to provide access to pointer of the electrolyte object of the catalyst layer.

References FuelCellShop::Layer::CatalystLayer< dim >::electrolyte.

Referenced by FuelCellShop::PostProcessing::WaterSorptionResponse< dim >::compute_responses().

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template<int dim>

virtual FuelCellShop::Kinetics::BaseKinetics* FuelCellShop::Layer::CatalystLayer< dim >::get_kinetics ( ) const

inlinevirtual

Method to provide access to pointer of the kinetic object of the catalyst layer.

References FuelCellShop::Layer::CatalystLayer< dim >::kinetics.

template<int dim>

std::string FuelCellShop::Layer::CatalystLayer< dim >::get_kinetics_type ( )

inline

Method for getting string describing kinetics type (corresponding to kinetics class concrete names)

References FuelCellShop::Layer::CatalystLayer< dim >::kinetics_type.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::get_loadings ( std::map< std::string, double > & )

inlinevirtual

Return loadings.

Parameters

V_Pt = Pt loading in ug/cm3
Parameters

loading_N = ionomer loading wt
Parameters

IC_ratio = I/C ratio

Note
either loading_N or IC_ratio should be passed through input file, the other computed
Parameters

prc_Pt = Pt/C ratio

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

References FcstUtilities::log.

template<int dim>

static _mapFactory* FuelCellShop::Layer::CatalystLayer< dim >::get_mapFactory ( )

inlinestaticprotected

Return the map library that stores all childrens of this class.

The declare_parameters of each one of the children that are in the map are called in declare_all_CatalystLayers.

Warning

In order for children of this class to appear in the map the following four things are necessary

a static PROTOTYPE object has to be created. For example, in the .h file:
* static DummyCL<dim> const* PROTOTYPE;

*

in the .cc file:
* template <int dim>

* NAME::DummyCL<dim> const* NAME::DummyCL<dim>::PROTOTYPE = new NAME::DummyCL<dim>();

*
a default constructor which creates the PROTOTYPE is needed, e.g.
* template <int dim>

* NAME::DummyCL<dim>::DummyCL()

* : FuelCellShop::Layer::CatalystLayer<dim> ()

* {

* FcstUtilities::log<<" Register DummyGDL GDL to FactoryMap"<<std::endl;

* this->get_mapFactory()->insert(std::pair<std::string, FuelCellShop::Layer::GasDiffusionLayer<dim>* >(concrete_name, this));

* }

*
a static std::string concrete_name must be declared and initialized to the desired name of the children class. This name is used as the name in the map and as the name of the subsection where its parameters are declared. For example, in the .h file:
* static const std::string concrete_name;

*

in the .cc file:
* template <int dim>

* const std::string NAME::DummyCL<dim>::concrete_name ("DummyCL");

*
virtual boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > create_replica () needs to be re-implemented in the child. For example, in the .h file
* virtual boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > create_replica (std::string &name,

* FuelCellShop::Material::PolymerElectrolyteBase* electrolyte1,

* FuelCellShop::Material::CatalystSupportBase* catalyst_support1,

* FuelCellShop::Material::CatalystBase* catalyst1)

* {

* return boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > (new FuelCellShop::Layer::DummyCL<dim> (name, electrolyte1, catalyst_support1, catalyst1));

* }

*

Referenced by FuelCellShop::Layer::CatalystLayer< dim >::create_CatalystLayer(), and FuelCellShop::Layer::CatalystLayer< dim >::declare_CatalystLayer_parameters().

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template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::get_volume_fractions ( std::map< std::string, double > & )

inlinevirtual

Compute the volume fractions of each phase.

The map might contains a string indicating the phase and its value. There are several possible phases:

Solid
Void
Ionomer
Water

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

References FcstUtilities::log.

template<int dim>

void FuelCellShop::Layer::CatalystLayer< 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::PorousLayer< dim >.

Reimplemented in FuelCellShop::Layer::ConventionalCL< dim >, FuelCellShop::Layer::MultiScaleCL< dim >, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >, FuelCellShop::Layer::HomogeneousCL< dim >, and FuelCellShop::Layer::DummyCL< dim >.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::interfacial_surface_area ( std::vector< double > & ) const

inlinevirtual

Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the CL.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::interfacial_surface_area_PSD ( std::vector< double > & ) const

inlinevirtual

Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the CL.

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::liquid_permeablity ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Compute the anisotropic CL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell.

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::pcapillary ( std::vector< double > & ) const

inlinevirtual

Compute $p_c \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the cell.

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::relative_liquid_permeability_PSD ( std::vector< Tensor< 2, dim > > & ) const

inlinevirtual

Compute the anisotropic CL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell.

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::saturated_liquid_permeablity_PSD ( double & ) const

inlinevirtual

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::saturation_from_capillary_equation ( std::vector< double > & ) const

inlinevirtual

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

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

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::set_cell_id ( const unsigned int & id )

inlinevirtual

Function for setting current cell_id from applications.

Parameters

unsigned int id is the id of the current cell from the application's perspective

Note
Reimplemented by classes that need to know cell_id: MultiScaleCL

Reimplemented in FuelCellShop::Layer::DummyCL< dim >, FuelCellShop::Layer::HomogeneousCL< dim >, FuelCellShop::Layer::MultiScaleCL< dim >, and FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >.

References FcstUtilities::log.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::set_constant_solution	(	const double &	value,
		const VariableNames &	name
	)

inlinevirtual

Set those solution variables which are constant in the particular application.

If the effective properties in the layer depend on other variables that are usually part of the solution vector but are assumed to be constant in this simulation, the const solution value should be passed to the class using this member function. This method should be called in the initialization section of the application. This function takes value to be set as the first argument and the VariableNames as second argument. For instance, it's required to store constant temperature value for an isothermal application, in that case this method can be used. e.g., in order to set temperature as 353.0 [Kelvin] in the layer, you can use the following code:

* // In the initialization section of the application.
* layer.set_constant_solution(353.0, VariableNames::temperature_of_REV);
* 

If temperature_of_REV is passed using this method, it also sets the temperature [Kelvin] values in the electrolyte object. If total_pressure is passed using this method, it also sets the total pressure [Pascals] values in the kinetics and electrolyte object.

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

References FuelCellShop::Layer::CatalystLayer< dim >::electrolyte, FuelCellShop::Layer::CatalystLayer< dim >::kinetics, membrane_water_content, FuelCellShop::Layer::BaseLayer< dim >::set_constant_solution(), temperature_of_REV, and total_pressure.

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template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::set_derivative_flags ( const std::vector< VariableNames > & flags )

inlinevirtual

Method used to set the variables for which you would like to compute the derivatives in the catalyst layer.

It takes vector of VariableNames as an input argument. It also sets the derivative flags in the kinetics and electrolyte object of the catalyst layer.

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

References FuelCellShop::Layer::BaseLayer< dim >::derivative_flags, FuelCellShop::Layer::CatalystLayer< dim >::electrolyte, and FuelCellShop::Layer::CatalystLayer< dim >::kinetics.

template<int dim>

void FuelCellShop::Layer::CatalystLayer< dim >::set_reaction_kinetics ( const ReactionNames rxn_name )

inline

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)

References FuelCellShop::Layer::CatalystLayer< dim >::catalyst, and FuelCellShop::Layer::CatalystLayer< dim >::kinetics.

template<int dim>

virtual void FuelCellShop::Layer::CatalystLayer< dim >::set_solution ( const std::vector< SolutionVariable > & )

virtual

This method is used to set the solution variable values in the kinetics object, at all quadrature points in the cell.

It takes vector of SolutionVariable structures as input argument. Each one of them corresponds to a particular solution variable, required in order to compute various terms such as non-linear current source terms etc.

The variables that must be set are:

electronic_electrical_potential
protonic_electrical_potential

For a cathode electrode the concentration of oxygen in the gas phase is also necessary. Note that this member function will convert the gas concentration to electrolyte concentration already. For convenience, oxygen molar fractions can be passed to this class.

For an anode electrode the concentration of hydrogen in the gas phase is needed. Again, this member function will convert the gas concentration to electrolyte concentration. For convenience, hydrogen mole fractions can be pass to this class.