Class that solves solid carbon particle, with Pt surface loading, surrounded by ionomer thin film. More...

#include <ICCP.h>

Inheritance diagram for FuelCellShop::MicroScale::ICCP:

Collaboration diagram for FuelCellShop::MicroScale::ICCP:

Public Member Functions
virtual void	set_solution (const std::map< VariableNames, SolutionVariable > &sols, const VariableNames &react, const int &index)
	Function for setting the solution map(reactant concentration, phi_s, phi_m, etc.). More...

virtual SolutionMap	compute_current ()
	Function used to compute the current density produced by the micro structure. More...

virtual bool	has_derivatives ()
	Returns true if the class instance can calculate current density derivatives. More...

virtual std::string	get_name ()
	Return name of class instance, i.e. More...

virtual double	aux_volume_fraction ()
	MicroScale object may have extra contribution to volume of layer, e.g. More...

virtual void	print_properties ()
	Print out key micro-structural dimensions, defined by child. More...

virtual void	make_thread_safe (ParameterHandler &param, unsigned int thread_index)

Public Member Functions inherited from FuelCellShop::MicroScale::MicroScaleBase
virtual	~MicroScaleBase ()
	Destructor. More...

virtual std::vector< double >	compute_derivative_current ()
	Function to compute the derivative of the current density at the local operating conditions. More...

Static Public Attributes
static const std::string	concrete_name

Protected Types
typedef FuelCellShop::Layer::MultiScaleCL < deal_II_dimension >	CLPropNames
	Convenient typdef for getting properties. More...

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

Protected Types inherited from FuelCellShop::MicroScale::SphericalAgglomerateGeometry
typedef FuelCellShop::Layer::MultiScaleCL < deal_II_dimension > ::Properties	CLPropNames

typedef std::map< CLPropNames, double >	CL_Properties

Protected Member Functions
void	_initialize_film_porosity ()

	ICCP ()
	Default Constructor. More...

	ICCP (std::string name)
	Factory map registration constructor. More...

virtual void	set_structure ()

virtual void	declare_parameters (ParameterHandler &param) const

virtual void	initialize (ParameterHandler &param)

virtual boost::shared_ptr < MicroScaleBase >	create_replica ()
	This member function is used to create an object of type MicroScaleBase. More...

Protected Member Functions inherited from FuelCellShop::MicroScale::MicroScaleBase
void	set_layer (FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *_layer)

	MicroScaleBase ()

Protected Member Functions inherited from FuelCellShop::MicroScale::SphericalAgglomerateGeometry
	SphericalAgglomerateGeometry ()

virtual double	compute_thickness_agg (FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *layer)
	Member function to compute the thickness of the agglomerate thin film based on the radius and structure. More...

virtual double	compute_epsilon_agg (FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *layer)
	Compute the volume fraction of nafion inside the agglomerate given the catalyst layer ionomer volume fraction , $\epsilon_N$ ; size of the agglomerate, $r_{agg}$ ; and, porosity inside the agglomerate, $\epsilon_{agg}$ , the necessary ionomer thin film thickness is computed such that the correct volume fractions are obtained. More...

virtual double	compute_epsilon_N (const double delta_agg, const double thickness_agg) const
	Function used to compute the amount of electrolyte in the catalyst layer. More...

virtual double	compute_depsilonN_dthickness (const double thickness_agg) const
	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. More...

virtual double	compute_depsilonN_depsilon_agg (FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *layer) const
	Function to compute $\frac{\partial \epsilon_N^{cat}}{\partial \epsilon_{agg}}$ This function should only be used to calculate the thin film thickness using Newton's method. More...

virtual double	compute_n (FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *layer) const
	Member function to compute the number of agglomerates. More...

virtual double	compute_dn_depsilon_agg (FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *layer) const
	Compute the derivative of n with respect to the porosity of the agglomerate. More...

Static Protected Attributes
static ICCP const *	PROTOTYPE

Private Member Functions
double	residual (const double &c_inner, const double &c_outer)
	Compute the residual functions describing oxygen concentration at the particle surface. More...

Private Attributes
std::vector< SolutionVariable >	reactants

SolutionVariable	proton_pot

SolutionVariable	electron_pot

double	ActiveArea

bool	non_eq_BC

double	non_eq_BC_coeff

double	P

double	H_R_N

double	D_R_N

double	molarNumerator

VariableNames	reactant

boost::shared_ptr < FuelCellShop::Kinetics::BaseKinetics >	kinetics

boost::shared_ptr < FuelCellShop::Material::PolymerElectrolyteBase >	electrolyte

boost::shared_ptr < FuelCellShop::Material::CatalystBase >	catalyst

const double	F

const double	pi

Additional Inherited Members
Static Public Member Functions inherited from FuelCellShop::MicroScale::MicroScaleBase
static void	declare_MicroScale_parameters (ParameterHandler &param)
	Function used to declare all the data necessary in the parameter files for all MicroScale children. More...

static boost::shared_ptr < FuelCellShop::MicroScale::MicroScaleBase >	create_MicroStructure (ParameterHandler &param, FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *layer)
	Function used to select the appropriate MicroScale type as specified in the ParameterHandler under line. More...

Static Protected Member Functions inherited from FuelCellShop::MicroScale::MicroScaleBase
static _mapFactory *	get_mapFactory ()
	This member function is used to create an object of type MicroScaleBase. More...

Protected Attributes inherited from FuelCellShop::MicroScale::MicroScaleBase
FuelCellShop::Layer::MultiScaleCL < deal_II_dimension > *	layer

Protected Attributes inherited from FuelCellShop::MicroScale::SphericalAgglomerateGeometry
double	pi

double	r_agg

double	delta_agg

double	epsilon_agg

double	n_agg

Detailed Description

Class that solves solid carbon particle, with Pt surface loading, surrounded by ionomer thin film.

This class is a very basic representation of the CL micro structure, intended to analyize the CL/MEA's sensitivity to micro scale models for various operating conditions and material params.

Input parameters

LIST OF INPUT PARAMETERS FOR THE CLASS.

* ...
* subsection MicroScale
*   subsection ICCP
*      set Radius [nm] = 100.0 #Inner core radius
*      set Non Equilibrium BC Rate constant = 0.13 #Non equilibrium Reaction rate coefficient
*      set Use non equilibrium BC = false #Use non-equilibrium BC as described by Suzukhi et al.
*   end
* end
* 

Warning: Treatment of pressure using get_properties from layer is incorrect for non-isobaric cases!!!!!!

Note: Film thickness is calculated automatically from layer properties.

Member Typedef Documentation

typedef FuelCellShop::Layer::MultiScaleCL<deal_II_dimension> FuelCellShop::MicroScale::ICCP::CLPropNames

protected

Convenient typdef for getting properties.

Constructor & Destructor Documentation

FuelCellShop::MicroScale::ICCP::ICCP ( )

inlineprotected

Default Constructor.

References non_eq_BC.

Referenced by create_replica().

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FuelCellShop::MicroScale::ICCP::ICCP ( std::string name )

protected

Factory map registration constructor.

Member Function Documentation

void FuelCellShop::MicroScale::ICCP::_initialize_film_porosity ( )

protected

virtual double FuelCellShop::MicroScale::ICCP::aux_volume_fraction ( )

inlinevirtual

MicroScale object may have extra contribution to volume of layer, e.g.

water. In this case it is zero.

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual SolutionMap FuelCellShop::MicroScale::ICCP::compute_current ( )

virtual

Function used to compute the current density produced by the micro structure.

Effectiveness is returned by reference, and defined by child class.

Solves for solution variables set by the last call to set_solution.

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual boost::shared_ptr<MicroScaleBase> FuelCellShop::MicroScale::ICCP::create_replica ( )

inlineprotectedvirtual

This member function is used to create an object of type MicroScaleBase.

Implements FuelCellShop::MicroScale::MicroScaleBase.

References ICCP().

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virtual void FuelCellShop::MicroScale::ICCP::declare_parameters ( ParameterHandler & param ) const

protectedvirtual

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual std::string FuelCellShop::MicroScale::ICCP::get_name ( )

inlinevirtual

Return name of class instance, i.e.

concrete name.

Implements FuelCellShop::MicroScale::MicroScaleBase.

References concrete_name.

virtual bool FuelCellShop::MicroScale::ICCP::has_derivatives ( )

inlinevirtual

Returns true if the class instance can calculate current density derivatives.

In this case it will return false.

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual void FuelCellShop::MicroScale::ICCP::initialize ( ParameterHandler & param )

protectedvirtual

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual void FuelCellShop::MicroScale::ICCP::make_thread_safe	(	ParameterHandler &	param,
		unsigned int	thread_index
	)

virtual

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual void FuelCellShop::MicroScale::ICCP::print_properties ( )

virtual

Print out key micro-structural dimensions, defined by child.

Implements FuelCellShop::MicroScale::MicroScaleBase.

double FuelCellShop::MicroScale::ICCP::residual	(	const double &	c_inner,
		const double &	c_outer
	)

private

Compute the residual functions describing oxygen concentration at the particle surface.

Equilibrium BC: 0 = c_{O_2, \; f|c} - c_{O_2, \; g|f} - {{agg} }{r_{agg}(r_{agg} +{agg}) } { j(c_{O_2, \; f|c}) A_s}{4 n F D_{O_2,N}} Nonequilibrium BC (substitute the following term) : c_{O_2, \; g|f} = c_{O_2, \; g|f}^{eq} - {j(c_{O_2, \; f|c}) A_s}{4 n F (r_{agg} +{agg})^2 k_o}

See equations 2.111 and 2.120 of Philip Wardlaw's Thesis

virtual void FuelCellShop::MicroScale::ICCP::set_solution	(	const std::map< VariableNames, SolutionVariable > &	sols,
		const VariableNames &	react,
		const int &	index
	)

virtual

Function for setting the solution map(reactant concentration, phi_s, phi_m, etc.).

First argument provide the map of SolutionVariable. The second argument provide the name of the primary reactant. The final argument is the index of the solution map that the micro scale object should solve for.

This function should be called immediatly before compute_current or compute_derivative_current.

Implements FuelCellShop::MicroScale::MicroScaleBase.

virtual void FuelCellShop::MicroScale::ICCP::set_structure ( )

protectedvirtual

Implements FuelCellShop::MicroScale::MicroScaleBase.

Member Data Documentation

double FuelCellShop::MicroScale::ICCP::ActiveArea

private

boost::shared_ptr<FuelCellShop::Material::CatalystBase> FuelCellShop::MicroScale::ICCP::catalyst

private

const std::string FuelCellShop::MicroScale::ICCP::concrete_name

static

Referenced by get_name().

double FuelCellShop::MicroScale::ICCP::D_R_N

private

boost::shared_ptr<FuelCellShop::Material::PolymerElectrolyteBase> FuelCellShop::MicroScale::ICCP::electrolyte

private

SolutionVariable FuelCellShop::MicroScale::ICCP::electron_pot

private

const double FuelCellShop::MicroScale::ICCP::F

private

double FuelCellShop::MicroScale::ICCP::H_R_N

private

boost::shared_ptr<FuelCellShop::Kinetics::BaseKinetics> FuelCellShop::MicroScale::ICCP::kinetics

private

double FuelCellShop::MicroScale::ICCP::molarNumerator

private

bool FuelCellShop::MicroScale::ICCP::non_eq_BC

private

Referenced by ICCP().

double FuelCellShop::MicroScale::ICCP::non_eq_BC_coeff

private

double FuelCellShop::MicroScale::ICCP::P

private

const double FuelCellShop::MicroScale::ICCP::pi

private

SolutionVariable FuelCellShop::MicroScale::ICCP::proton_pot

private

ICCP const* FuelCellShop::MicroScale::ICCP::PROTOTYPE

staticprotected

VariableNames FuelCellShop::MicroScale::ICCP::reactant

private

std::vector<SolutionVariable> FuelCellShop::MicroScale::ICCP::reactants

private

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

ICCP.h

Public Member Functions

Static Public Attributes

Protected Types

Protected Member Functions

Static Protected Attributes

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Input parameters

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation