Class implementing water pore agglomerate model developed by Ehsan Sadeghi. More...

#include <agglomerate_water_sadeghi.h>

Inheritance diagram for FuelCellShop::MicroScale::WaterConicalPoreAgglomerate:

Collaboration diagram for FuelCellShop::MicroScale::WaterConicalPoreAgglomerate:

Public Member Functions
virtual SolutionMap	compute_current ()
	Set the composition and structure of the agglomerate. 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...

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	make_thread_safe (ParameterHandler &param, unsigned int thread_index)

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...

Static Public Attributes
static const std::string	concrete_name

Protected Member Functions
virtual double	get_film_thickness ()

virtual double	get_radius ()

virtual void	set_structure ()

	WaterConicalPoreAgglomerate ()
	Constructors. More...

	WaterConicalPoreAgglomerate (std::string concrete_name)

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

virtual void	declare_parameters (ParameterHandler &param) const

virtual void	initialize (ParameterHandler &param)

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

	AgglomerateBase ()

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...

Protected Attributes
double	T

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

Static Protected Attributes
static WaterConicalPoreAgglomerate const *	PROTOTYPE

Private Types
enum	SolutionIteration { Old, New, Intermediate }

Private Member Functions
bool	initialize_problem (std::string &error_msg)
	Function for initializing data before problem is solved. More...

bool	interpret_solution (std::string &error_msg)
	Function for interpreting solution provided by another class. More...

bool	solveProtonPotentials (std::string &error_msg)
	Functions which solve for Proton Potential and oxygen concentration Profiles across the pore. More...

bool	solveO2 (std::string &error_msg)

double	calculate_j (double &E_r)
	Functions which calculates current density, proton potential and o2 concentration must be solved. More...

Private Attributes
std::map< SolutionIteration, std::vector< std::vector < double > > >	PorePotential

std::map< SolutionIteration, std::vector< std::vector < double > > >	cO2

std::vector< double >	cHwall

std::vector< double >	etaWall

std::vector< double >	jWall

double	beta

double	eta

double	alfa

double	lambda

double	teta

double	innerRadius

double	outerRadius

double	NP

double	S_i

double	S_o

double	eva

double	u_0

double	omega

double	del_u

double	phi_pzc

double	u_s

int	N

int	M

double	Helm

double	waterRadius

double	rel_permittivity

Friends
class	::WaterPoreAgglomerateTest
	Function to compute the derivative of the current density at the local operating conditions;. More...

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...

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

Class implementing water pore agglomerate model developed by Ehsan Sadeghi.

WORK IN PROGRESS

Member Enumeration Documentation

enum FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::SolutionIteration

private

Enumerator
Old
New
Intermediate

Constructor & Destructor Documentation

FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::WaterConicalPoreAgglomerate ( )

protected

Constructors.

FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::WaterConicalPoreAgglomerate ( std::string concrete_name )

protected

Member Function Documentation

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

inlinevirtual

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

water.

Returns a fraction.

Implements FuelCellShop::MicroScale::MicroScaleBase.

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::calculate_j ( double & E_r )

private

Functions which calculates current density, proton potential and o2 concentration must be solved.

Return current density in A/cm^3, passes agglomerate effectiveness back by reference

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

virtual

Set the composition and structure of the agglomerate.

Main function of the class used to compute the current over the whole agglomerate at the local operating conditions

Implements FuelCellShop::MicroScale::MicroScaleBase.

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

inlineprotectedvirtual

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

Warning: This class MUST be redeclared in every child.

Implements FuelCellShop::MicroScale::MicroScaleBase.

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

inlineprotectedvirtual

Reimplemented from FuelCellShop::MicroScale::AgglomerateBase.

References concrete_name, and FuelCellShop::MicroScale::AgglomerateBase::declare_parameters().

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virtual double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::get_film_thickness ( )

inlineprotectedvirtual

Implements FuelCellShop::MicroScale::AgglomerateBase.

References FuelCellShop::MicroScale::SphericalAgglomerateGeometry::delta_agg.

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

inlinevirtual

Return name of class instance, i.e.

concrete name.

Implements FuelCellShop::MicroScale::MicroScaleBase.

References concrete_name.

virtual double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::get_radius ( )

inlineprotectedvirtual

Implements FuelCellShop::MicroScale::AgglomerateBase.

References FuelCellShop::MicroScale::SphericalAgglomerateGeometry::r_agg.

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

inlineprotectedvirtual

Reimplemented from FuelCellShop::MicroScale::AgglomerateBase.

References concrete_name, and FuelCellShop::MicroScale::AgglomerateBase::initialize().

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bool FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::initialize_problem ( std::string & error_msg )

private

Function for initializing data before problem is solved.

Return false if problem cannot be initialized, passes error msg back by reference

bool FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::interpret_solution ( std::string & error_msg )

private

Function for interpreting solution provided by another class.

Return false if solution is invalid, passes error msg back by reference

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

protectedvirtual

Implements FuelCellShop::MicroScale::MicroScaleBase.

bool FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::solveO2 ( std::string & error_msg )

private

bool FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::solveProtonPotentials ( std::string & error_msg )

private

Functions which solve for Proton Potential and oxygen concentration Profiles across the pore.

Call these function in the following order: solveProtonPotentials, solveO2.

Return false if they fail to converge, passes error msg back by reference

Friends And Related Function Documentation

friend class ::WaterPoreAgglomerateTest

friend

Function to compute the derivative of the current density at the local operating conditions;.

Friend class for testing purposes.

Member Data Documentation

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::alfa

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::beta

private

std::vector<double> FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::cHwall

private

std::map<SolutionIteration,std::vector<std::vector<double> > > FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::cO2

private

const std::string FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::concrete_name

static

Referenced by declare_parameters(), get_name(), and initialize().

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::del_u

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::eta

private

std::vector<double> FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::etaWall

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::eva

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::Helm

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::innerRadius

private

std::vector<double> FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::jWall

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::lambda

private

int FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::M

private

int FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::N

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::NP

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::omega

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::outerRadius

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::phi_pzc

private

std::map<SolutionIteration, std::vector<std::vector<double> > > FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::PorePotential

private

WaterConicalPoreAgglomerate const* FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::PROTOTYPE

staticprotected

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::rel_permittivity

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::S_i

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::S_o

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::T

protected

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::teta

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::u_0

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::u_s

private

double FuelCellShop::MicroScale::WaterConicalPoreAgglomerate::waterRadius

private

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

agglomerate_water_sadeghi.h

Public Member Functions

Static Public Attributes

Protected Member Functions

Protected Attributes

Static Protected Attributes

Private Types

Private Member Functions

Private Attributes

Friends

Additional Inherited Members

Detailed Description

Member Enumeration Documentation

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation