Base class for numerical agglomerates. More...

#include <numerical_agglomerate_base.h>

Inheritance diagram for FuelCellShop::MicroScale::NumericalAgglomerateBase:

Collaboration diagram for FuelCellShop::MicroScale::NumericalAgglomerateBase:

Protected Member Functions
void	setAV (double newAV)

	NumericalAgglomerateBase ()
	Constructor. More...

	~NumericalAgglomerateBase ()
	Destructor. More...

void	update_initial_solution ()

void	save_initial_solution ()

virtual void	declare_parameters (ParameterHandler &param) const

virtual void	initialize (ParameterHandler &param)

double	getAV (double location)

bool	use_initial_data (double z[], const double &x)

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

Protected Member Functions inherited from FuelCellShop::MicroScale::AgglomerateBase
void	_initialize_film_porosity ()

	AgglomerateBase ()

virtual double	get_film_thickness ()=0

virtual double	get_radius ()=0

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

	MicroScaleBase ()

virtual void	set_structure ()=0

virtual boost::shared_ptr < MicroScaleBase >	create_replica ()=0
	This member function is used to create an object of MicroScaleBase. More...

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...

Protected Attributes
std::vector< std::vector < double > >	final_results

std::vector< std::vector < double > >	initial_solution

std::vector< std::string >	column_names

double	R_tol

Protected Attributes inherited from FuelCellShop::MicroScale::AgglomerateBase
boost::shared_ptr < FuelCellShop::Material::CatalystBase >	catalyst
	Boost shared pointer to catalyst object. More...

boost::shared_ptr < FuelCellShop::Material::PolymerElectrolyteBase >	electrolyte
	Boost shared pointer to electrolyte object. More...

boost::shared_ptr < FuelCellShop::Kinetics::BaseKinetics >	kinetics
	Boost shared pointer to kinetics object. More...

std::map< VariableNames, SolutionVariable >	solutions
	Member data for storing solutions. More...

std::vector< VariableNames >	sol_names

VariableNames	reactant

VariableNames	tempReactantName

int	sol_index

double	permittivity_0
	Constants. More...

double	F

double	R

double	P

double	AV

double	c_R

bool	has_derivatives_

double	c_H

double	phi_M

double	phi_S

double	interface

double	D_R_N

double	H_R_N
	Henry's Constant for primary reactant in nafion, [Pa cm^3/mol]. More...

std::string	fixed_agg_variable

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

Private Member Functions
void	setUpLoadings ()

FcstUtilities::DatabaseOC	create_OC_snapshot ()

bool	guess_no_longer_valid (const FcstUtilities::DatabaseOC &OC)

void	interpolate_initial_data (double z[], const double &x, const double &left_pos, const double &right_pos, const std::vector< double > &left_data, const std::vector< double > &right_data)

Private Attributes
FcstUtilities::FCSTdatabase	db

std::string	db_address

FcstUtilities::DatabaseOC	database_OC

bool	push_next

double	tolerance

double	maxRadialDimension

std::vector< double >	loadingWeigths

std::vector< double >	actualLoadings

std::vector< double >	loadingRadii

unsigned int	thread_id

Additional Inherited Members
Public Member Functions inherited from FuelCellShop::MicroScale::AgglomerateBase
virtual	~AgglomerateBase ()

virtual void	print_properties ()
	Print out key agglomerate information (name, radius, film thickness, porosity). More...

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

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

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

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

virtual SolutionMap	compute_current ()=0
	Function used to compute the current density produced by the micro structure. More...

virtual std::string	get_name ()=0
	Return name of class instance, i.e. More...

virtual double	aux_volume_fraction ()=0
	MicroScale object may have extra contribution to volume of layer, e.g. More...

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...

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

typedef std::map< CLPropNames, double >	CL_Properties

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

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...

Detailed Description

Base class for numerical agglomerates.

Base class for numerical agglomerates, implements AgglomerateBase. Provide useful methods and data for numerical agglomerates, such as initial solution storage and retrieval via FCSTDatabase and variable active area profiles.

Input parameters

LIST OF INPUT PARAMETERS FOR THE CLASS.

* ...
* subsection MicroScaleBase
*   subsection NumericalAgglomerateBase
*     set Initial condition tolerance factor = 0.05 #Factor determining how often initial solutions are store/updated
*     set Database name = main_db #Database existing in FCST/Databases. Setting an unused name will create a new database.
*     set Agglomerate Loading Profile = 1 #A list of doubles of the form "1,2.2,3...", used to weight the Pt. loading profile
*   end
* end
* ...
* 

Author: Philip Wardlaw

Date: 2014

Constructor & Destructor Documentation

FuelCellShop::MicroScale::NumericalAgglomerateBase::NumericalAgglomerateBase ( )

protected

Constructor.

FuelCellShop::MicroScale::NumericalAgglomerateBase::~NumericalAgglomerateBase ( )

inlineprotected

Destructor.

Member Function Documentation

FcstUtilities::DatabaseOC FuelCellShop::MicroScale::NumericalAgglomerateBase::create_OC_snapshot ( )

private

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

protectedvirtual

Reimplemented from FuelCellShop::MicroScale::AgglomerateBase.

Reimplemented in FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerate, and FuelCellShop::MicroScale::HybridAgglomerate.

Referenced by FuelCellShop::MicroScale::HybridAgglomerate::declare_parameters(), FuelCellShop::MicroScale::IonomerAgglomerate::declare_parameters(), and FuelCellShop::MicroScale::WaterAgglomerate::declare_parameters().

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double FuelCellShop::MicroScale::NumericalAgglomerateBase::getAV ( double location )

protected

bool FuelCellShop::MicroScale::NumericalAgglomerateBase::guess_no_longer_valid ( const FcstUtilities::DatabaseOC & OC )

private

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

protectedvirtual

Reimplemented from FuelCellShop::MicroScale::AgglomerateBase.

Reimplemented in FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerate, and FuelCellShop::MicroScale::HybridAgglomerate.

Referenced by FuelCellShop::MicroScale::HybridAgglomerate::initialize(), FuelCellShop::MicroScale::IonomerAgglomerate::initialize(), and FuelCellShop::MicroScale::WaterAgglomerate::initialize().

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void FuelCellShop::MicroScale::NumericalAgglomerateBase::interpolate_initial_data	(	double	z[],
		const double &	x,
		const double &	left_pos,
		const double &	right_pos,
		const std::vector< double > &	left_data,
		const std::vector< double > &	right_data
	)

private

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

protectedvirtual

Reimplemented from FuelCellShop::MicroScale::AgglomerateBase.

void FuelCellShop::MicroScale::NumericalAgglomerateBase::save_initial_solution ( )

protected

void FuelCellShop::MicroScale::NumericalAgglomerateBase::setAV ( double newAV )

inlineprotected

References FuelCellShop::MicroScale::AgglomerateBase::AV.

void FuelCellShop::MicroScale::NumericalAgglomerateBase::setUpLoadings ( )

private

void FuelCellShop::MicroScale::NumericalAgglomerateBase::update_initial_solution ( )

protected

bool FuelCellShop::MicroScale::NumericalAgglomerateBase::use_initial_data	(	double	z[],
		const double &	x
	)

protected

Member Data Documentation

std::vector<double> FuelCellShop::MicroScale::NumericalAgglomerateBase::actualLoadings

private

std::vector<std::string> FuelCellShop::MicroScale::NumericalAgglomerateBase::column_names

protected

FcstUtilities::DatabaseOC FuelCellShop::MicroScale::NumericalAgglomerateBase::database_OC

private

FcstUtilities::FCSTdatabase FuelCellShop::MicroScale::NumericalAgglomerateBase::db

private

std::string FuelCellShop::MicroScale::NumericalAgglomerateBase::db_address

private

std::vector<std::vector<double> > FuelCellShop::MicroScale::NumericalAgglomerateBase::final_results

protected

std::vector<std::vector<double> > FuelCellShop::MicroScale::NumericalAgglomerateBase::initial_solution

protected

std::vector<double> FuelCellShop::MicroScale::NumericalAgglomerateBase::loadingRadii

private

std::vector<double> FuelCellShop::MicroScale::NumericalAgglomerateBase::loadingWeigths

private

double FuelCellShop::MicroScale::NumericalAgglomerateBase::maxRadialDimension

private

bool FuelCellShop::MicroScale::NumericalAgglomerateBase::push_next

private

double FuelCellShop::MicroScale::NumericalAgglomerateBase::R_tol

protected

unsigned int FuelCellShop::MicroScale::NumericalAgglomerateBase::thread_id

private

double FuelCellShop::MicroScale::NumericalAgglomerateBase::tolerance

private

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

numerical_agglomerate_base.h

Protected Member Functions

Protected Attributes

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Input parameters

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation