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 <agglomerate_CL.h>

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

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

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Public Member Functions
Constructors, destructor, and initalization
	AgglomerateCL ()
	Prototype Constructor.

	AgglomerateCL (std::string name)
	Constructor.

	~AgglomerateCL ()
	Destructor.

void	declare_parameters (ParameterHandler &param) const
	Declare all necessary parameters in order to compute the coefficients.

void	set_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, 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.

Accessors and info
double	get_n () const
	Inline member function that returns the number of agglomerates in the catalyst layer.

virtual void	current_density (std::vector< double > &current)
	This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point.

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

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

virtual void	print_layer_properties () const
	Print out composition and micro-structural properties of the catalyst layer.

void	return_mesh_final (std::vector< double > &temp, std::vector< double > &temp1)

void	set_mesh (std::vector< double > &temp)

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

	~ConventionalCL ()
	Destructor.

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
void	declare_parameters (const std::string &cl_section_name, ParameterHandler &param) const
	Constructor.

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.

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.

Internal member functions
void	compute_void_fraction ()
	Compute porosity and volume fraction of solid and ionomer in the catalyst layer.

void	initialize_aggs ()
	Creates the agg objects populating the aggs object.

boost::shared_ptr < FuelCellShop::MicroScale::AgglomerateBase >	get_agg ()
	Function for creating shared pointer object of an unique (multithreadable) agglomerate object.

double	compute_n () const
	Member function to compute the number of agglomerates.

double	compute_thickness_agg ()
	Member function used to calculate the sensitivities of the number of agglomerates with respect to the dependent variables.

double	epsilon_N_agg (const double delta_agg) const
	Inline function used to compute the amount of electrolyte in the catalyst layer.

double	depsilonN_dthickness_agg (const double thickness_agg) const
	Inline function to compute \[ \frac{\partial \epsilon_N^{cat}}{\partial thickness_{agg}} \] This function should only be used to calculate the thin film thickness using Newton's method.

double	micro_scale_current (boost::shared_ptr< FuelCellShop::MicroScale::AgglomerateBase > &_agg, std::map< VariableNames, SolutionVariable > &solutionMap, const unsigned int &index, double &E_r)
	Private member functions for solving current density given an agglomerate.

void	choose_agglomerate (boost::shared_ptr< FuelCellShop::MicroScale::AgglomerateBase > &agg_)
	Private member functions for choosing agglomerate type.

void	solve_current_derivatives_average (std::map< VariableNames, std::vector< double > > &Dcurrent)
	Private member functions for solving for current derivatives in an averaging approach.

void	solve_current_derivatives_at_each_node (std::map< VariableNames, std::vector< double > > &Dcurrent)
	Private member functions for solving for current derivatives in a per node approach.

bool	check_micro_scale_initial_guess (const double &x_O2, const double &phi_m, const double &phi_s, const double lambda, const double radius, const double film_thickness, const double porosity)

bool	get_micro_scale_initial_guess (const double &x_O2, const double &phi_m, const double &phi_s, const double lambda, boost::shared_ptr< FuelCellShop::MicroScale::AgglomerateBase > &_agg, const double radius, const double film_thickness, const double porosity)

void	commit_data_to_db (std::vector< std::vector< double >> agg_data, std::vector< std::string > agg_column_titles, const double &x_R, const double &phi_m, const double &phi_s, const double lambda, const double radius, const double film_thickness, const double porosity)

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.

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

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.

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.

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.

Protected Attributes
Internal variables
bool	aggs_initialized
	Bool for noting if the agglomerates have been initialized.

std::string	type_agg
	Type of agglomerate.

std::string	comp_agg
	Composition of the agglomerate, e.g.

std::vector< double >	agglomerateLoadingWeigths
	Double vector for storing agglomerate loading profiles.

bool	water_agg
	Check to see if the agglomerate is water-filled.

std::string	solver_agg
	Choose the analytical or numerical solver for the agglomerate problem.

bool	average_cell_current
	Boolean value to choose whether to average the current over the cell.

double	r_agg
	Radius of the agglomerate.

double	thickness_agg
	Thickness electrolyte film.

double	epsilon_agg
	Porosity of the agglomerate.

double	n_agg
	Number of agglomerates (computed from known quantities)

double	pi
	Pi.

std::vector< double >	mesh_final
	Stores the node locations used to solve the numerical agglomerate.

std::vector< double >	co2_final
	Stores the oxygen concentration profile across the agglomerate.

double	cond_factor
	Factor to be applied to the proton conductivity.

std::vector< boost::shared_ptr < FuelCellShop::MicroScale::AgglomerateBase > >	aggs
	Vector of shared_ptr agg objects used for calculating current density and current density derivatives.

std::vector< std::vector < double > >	micro_scale_initial_guess
	Storage for micro scale object (i.e.

FcstUtilities::FCSTdatabase	db
	Database object for getting and storing initial guess data.

double	IC_x_R

double	IC_phi_m

double	IC_phi_s

double	IC_lambda

double	IC_tolerance

double	IC_radius

double	IC_film_thickness

double	IC_porosity

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.

Protected Attributes inherited from FuelCellShop::Layer::CatalystLayer< dim >
std::string	diffusion_species_name
	If CL properties are stored inside the class (e.g.

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

std::string	catalyst_type
	Catalyst type from input file.

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

std::string	electrolyte_type
	Electrolyte type from input file.

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

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.

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.

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.

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

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

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

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

Protected Attributes inherited from FuelCellShop::Layer::PorousLayer< dim >
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.

std::vector < FuelCellShop::Material::PureGas * >	gases
	Gases inside the layer.

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

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

SolutionVariable	T_vector
	Temperature at every quadrature point inside the cell.

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.

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.

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

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

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

unsigned int	material_id
	Identification number.

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

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

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

Static Protected Attributes
Instance Delivery (Prototype)
static AgglomerateCL< 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.

Friend class for Unit Testing

Detailed Description

template<int dim>
class FuelCellShop::Layer::AgglomerateCL< 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.

Author: M. Secanell, 2009-13; P. Dobson, 2009-11; M. Moore, 2010-12; M. Bhaiya, 2011-13; P. Wardlaw, 2012-13

Constructor & Destructor Documentation

template<int dim>

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

Prototype Constructor.

Warning: For internal use only

template<int dim>

FuelCellShop::Layer::AgglomerateCL< dim >::AgglomerateCL ( std::string name )

Constructor.

Warning: To be private in release 1.1

Deprecated:: Use create_CatalystLayer

template<int dim>

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

Destructor.

Member Function Documentation

template<int dim>

bool FuelCellShop::Layer::AgglomerateCL< dim >::check_micro_scale_initial_guess	(	const double &	x_O2,
		const double &	phi_m,
		const double &	phi_s,
		const double	lambda,
		const double	radius,
		const double	film_thickness,
		const double	porosity
	)

protected

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::choose_agglomerate ( boost::shared_ptr< FuelCellShop::MicroScale::AgglomerateBase > & agg_ )

protected

Private member functions for choosing agglomerate type.

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::commit_data_to_db	(	std::vector< std::vector< double >>	agg_data,
		std::vector< std::string >	agg_column_titles,
		const double &	x_R,
		const double &	phi_m,
		const double &	phi_s,
		const double	lambda,
		const double	radius,
		const double	film_thickness,
		const double	porosity
	)

protected

template<int dim>

double FuelCellShop::Layer::AgglomerateCL< dim >::compute_n ( ) const

protected

Member function to compute the number of agglomerates.

The number of agglomerates is computed differently depending on the type of agglomerate and depends on the agglomerate radius, amount of ionomer per agglomerate and the solid phase volume fraction in the CL.

template<int dim>

double FuelCellShop::Layer::AgglomerateCL< dim >::compute_thickness_agg ( )

protected

Member function used to calculate the sensitivities of the number of agglomerates with respect to the dependent variables.

Medium Priority Todo:: NOT WORKING YET – Might need some thinking... Note that ideally I would have a "get" and a "compute"

Member function to compute the thickness of the agglomerate thin film based on the radius and structure

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::compute_void_fraction ( )

protected

Compute porosity and volume fraction of solid and ionomer in the catalyst layer.

template<int dim>

virtual boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > FuelCellShop::Layer::AgglomerateCL< 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::AgglomerateCL< dim >::current_density ( std::vector< double > & current )

virtual

This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point.

If the current is averaged over the cell, the average current is assigned to each quadrature point in the cell.

Parameters

current is an empty vector to be filled with current density values. Will be resized to the size of the solution given in set_solution()

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

template<int dim>

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

virtual

This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point.

If the current is averaged over the cell, the average current is assigned to each quadrature point in the cell.

Parameters

current	is an empty vector to be filled with current density values. Will be resized to the size of the solution given in set_solution()
effectiveness	is an empty vector to be filled with agglomerate effectiveness values.

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

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::declare_parameters ( ParameterHandler & param ) const

inlinevirtual

Declare all necessary parameters in order to compute the coefficients.

Deprecated:: Use declare_all_CatalystLayer_parameters

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

References FuelCellShop::Layer::BaseLayer< dim >::name.

template<int dim>

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

protectedvirtual

Constructor.

Constructor that also intialises the pointers to the catalyst, catalyst support and electrolyte objects. Declare parameters for a parameter file.

Parameters that can be declared are defined in:

subsection Fuel cell data
 (...)
  subsection Cathode catalyst layer          <- This is the name of the CL subsection specified in cl_section_name
    (...)
    NOTE: Here you will need info on ConventionalCL since information from ConventionalCL is used for AgglomerateCL
    (...)
    subsection AgglomerateCL                 <- This is the subsection specified by concrete_name 
     set Agglomerate type = spherical        #["spherical|cylindrical"]
     set Agglomerate composition = ionomer   # [ionomer | water], Compositon of the agglomerate core
     set Agglomerate solver = numerical      # [analytical | numerical], Method to solve the agglomerate problem
     set Average current in cell = false     # Decide whether to take the average current density in the cell
     set Radius of the agglomerate [nm] = 200
     set Agglomerate porosity = 0.25
     set Agglomerate Loading Profile = 1     # A list of doubles of the form "1,2.2,3...", used to wait the Pt. loading profile
     set Conductivity factor = 1.0           # Allows the user to directly multiplay pronton conductivity, used for model observations
     set Initial condition tolerance factor = 0.05 # Tolerance factor for numerical agglomerate initial conditions
    end
  end
end

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

template<int dim>

double FuelCellShop::Layer::AgglomerateCL< dim >::depsilonN_dthickness_agg ( const double thickness_agg ) const

protected

Inline function to compute

\[ \frac{\partial \epsilon_N^{cat}}{\partial thickness_{agg}} \]

This function should only be used to calculate the thin film thickness using Newton's method.

Physically, the thickness of the thin film should not have an effect on the volume fractions defined in ConventionalCL

template<int dim>

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

virtual

This member function will use a FuelCellShop::Kinetics class in order to compute the derivative of the current density with respect to the variables setup in set_derivative_flags (std::vector< std::string > &flags)

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

template<int dim>

double FuelCellShop::Layer::AgglomerateCL< dim >::epsilon_N_agg ( const double delta_agg ) const

protected

Inline function used to compute the amount of electrolyte in the catalyst layer.

This is given by the agglomerate sturcture and the amount of solid phase. In particular,

\[ \epsilon_N^{cat} = n \frac{4.0}{3.0}3.1416({r_agg*1e-7})^{3.0}*(\epsilon_agg-1) + (r_{agg}1e-4 + \delta_{agg}1e-4)^{3.0}; \]

where n is computed by another function. For details on this equation and other see, M.Secanell et al., "",...

template<int dim>

boost::shared_ptr<FuelCellShop::MicroScale::AgglomerateBase> FuelCellShop::Layer::AgglomerateCL< dim >::get_agg ( )

protected

Function for creating shared pointer object of an unique (multithreadable) agglomerate object.

template<int dim>

bool FuelCellShop::Layer::AgglomerateCL< dim >::get_micro_scale_initial_guess	(	const double &	x_O2,
		const double &	phi_m,
		const double &	phi_s,
		const double	lambda,
		boost::shared_ptr< FuelCellShop::MicroScale::AgglomerateBase > &	_agg,
		const double	radius,
		const double	film_thickness,
		const double	porosity
	)

protected

template<int dim>

double FuelCellShop::Layer::AgglomerateCL< dim >::get_n ( ) const

inline

Inline member function that returns the number of agglomerates in the catalyst layer.

References FuelCellShop::Layer::AgglomerateCL< dim >::n_agg.

template<int dim>

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

virtual

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

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

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::initialize_aggs ( )

protected

Creates the agg objects populating the aggs object.

template<int dim>

double FuelCellShop::Layer::AgglomerateCL< dim >::micro_scale_current	(	boost::shared_ptr< FuelCellShop::MicroScale::AgglomerateBase > &	_agg,
		std::map< VariableNames, SolutionVariable > &	solutionMap,
		const unsigned int &	index,
		double &	E_r
	)

protected

Private member functions for solving current density given an agglomerate.

template<int dim>

virtual void FuelCellShop::Layer::AgglomerateCL< dim >::print_layer_properties ( ) const

virtual

Print out composition and micro-structural properties of the catalyst layer.

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

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::return_mesh_final	(	std::vector< double > &	temp,
		std::vector< double > &	temp1
	)

inline

References FuelCellShop::Layer::AgglomerateCL< dim >::co2_final, and FuelCellShop::Layer::AgglomerateCL< dim >::mesh_final.

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::set_mesh ( std::vector< double > & temp )

inline

References FuelCellShop::Layer::AgglomerateCL< dim >::mesh_final.

template<int dim>

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

inline

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

Deprecated:: Use set_all_CatalystLayer_parameters

References FuelCellShop::Layer::BaseLayer< dim >::name.

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< 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.

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

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::solve_current_derivatives_at_each_node ( std::map< VariableNames, std::vector< double > > & Dcurrent )

protected

Private member functions for solving for current derivatives in a per node approach.

template<int dim>

void FuelCellShop::Layer::AgglomerateCL< dim >::solve_current_derivatives_average ( std::map< VariableNames, std::vector< double > > & Dcurrent )

protected

Private member functions for solving for current derivatives in an averaging approach.

Member Data Documentation

template<int dim>

std::vector<double> FuelCellShop::Layer::AgglomerateCL< dim >::agglomerateLoadingWeigths

protected

Double vector for storing agglomerate loading profiles.

template<int dim>

std::vector<boost::shared_ptr<FuelCellShop::MicroScale::AgglomerateBase> > FuelCellShop::Layer::AgglomerateCL< dim >::aggs

protected

Vector of shared_ptr agg objects used for calculating current density and current density derivatives.

template<int dim>

bool FuelCellShop::Layer::AgglomerateCL< dim >::aggs_initialized

protected

Bool for noting if the agglomerates have been initialized.

template<int dim>

bool FuelCellShop::Layer::AgglomerateCL< dim >::average_cell_current

protected

Boolean value to choose whether to average the current over the cell.

template<int dim>

std::vector<double> FuelCellShop::Layer::AgglomerateCL< dim >::co2_final

protected

Stores the oxygen concentration profile across the agglomerate.

Referenced by FuelCellShop::Layer::AgglomerateCL< dim >::return_mesh_final().

template<int dim>

std::string FuelCellShop::Layer::AgglomerateCL< dim >::comp_agg

protected

Composition of the agglomerate, e.g.

ionomer or water

template<int dim>

const std::string FuelCellShop::Layer::AgglomerateCL< 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