The base class for micro scale objects in OpenFCST. More...

#include <micro_scale_base.h>

Inheritance diagram for FuelCellShop::MicroScale::MicroScaleBase:

Collaboration diagram for FuelCellShop::MicroScale::MicroScaleBase:

Public Member Functions
virtual	~MicroScaleBase ()
	Destructor. More...

virtual SolutionMap	compute_current ()=0
	Function used to compute the current density produced by the micro structure. 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 ()=0
	Returns true if the class instance can calculate current density derivatives. More...

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

virtual void	print_properties ()=0
	Print out key micro-structural dimensions, defined by child. More...

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

virtual void	make_thread_safe (ParameterHandler &param, unsigned int thread_index)=0

Initalization
virtual void	set_solution (const std::map< VariableNames, SolutionVariable > &, const VariableNames &, const int &)=0
	Function for setting the solution map(reactant concentration, phi_s, phi_m, etc.). More...

Static Public Member Functions
Instance Delivery (Functions)
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
Instance Delivery (Types)
typedef std::map< std::string, MicroScaleBase * >	_mapFactory
	This object is used to store all objects of type MicroScaleBase. More...

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

virtual void	declare_parameters (ParameterHandler &param) const =0

virtual void	initialize (ParameterHandler &param)=0

	MicroScaleBase ()

virtual void	set_structure ()=0

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

Static Protected Member Functions
Instance Delivery (Protected functions)
static _mapFactory *	get_mapFactory ()
	This member function is used to create an object of type MicroScaleBase. More...

Protected Attributes
FuelCellShop::Layer::MultiScaleCL < deal_II_dimension > *	layer

Detailed Description

The base class for micro scale objects in OpenFCST.

This polymorphic class specifies all the necessary interfaces that must be implemented by a micro scale object in order for it to work with OpenFCST's MultiScaleCl class.

Theory

Micro scale objects primary purpose are to determine reaction rates within the Cl whilst accounting for micro scale mass transport and other losses.

Used to calculate reaction rate of CL micro structure [A/cm^3] and micro scale effectiveness (a ratio of CL micro structure reaction rate normalized by reaction rate calculated using a macro scale homogeneous CL expression).

Input parameters

LIST OF INPUT PARAMETERS FOR THE CLASS.

* ...
*   subsection MicroScale
*     set Microscale type = IonomerAgglomerateAnalytical # Chose micro scale type,
*     #Options as of October 2014 are [ICCP|HybridAgglomerateNumerical|IonomerAgglomerateAnalytical|
*     #IonomerAgglomerateNumerical|IonomerAgglomerateSun|PolyAgglomerate|WaterAgglomerateNumerical]
*     #Further subsections for micro scale child classes
*   end
* ...
* 

Usage details

The base class should be used to create an instance of itself, using a deal.ii parameter interface. First declare_MicroScale_parameters must be called. This function will declare all parameters for all children of the microscale base class (Ionomer filled analytical agglomerate, etc.). N.b The parameters will be entered within the current subsection of the parameter object. Once you have read/initialized your param object use the create_MicroStructure function to create your micro scale object. The object will be automatically initialized. Use the compute_current function to obtain values for current density and micro scale effectiveness. Function set_solution should be called before calling compute_current or compute_derivative_current, in order for the results to be valid for your present solution.

*
* //Set up micro scale parameters within catalyst layer context
* param.enter_subsection(multi_scale_catalyst_layer);
* FuelCellShop::MicroScale::MicroScaleBase::declare_MicroScale_parameters(param);
*
* //Create an object of MicroScaleBase. In this context <b>this</b> is a pointer to type MultiScaleCL
* boost::shared_ptr<FuelCellShop::MicroScale::MicroScaleBase> micro = FuelCellShop::MicroScale::MicroScaleBase::create_MicroStructure(param,this);
* param.leave_subsection();
*
* //Set solution to micro scale
* micro->set_solution(solution_map, reactant_name, solution_index);
*
* //Solve
* double effectiveness;
* double current_density = micro->compute_current(effectiveness);
*
* 

Author: Philip Wardlaw

Date: 2014

Member Typedef Documentation

typedef std::map< std::string, MicroScaleBase* > FuelCellShop::MicroScale::MicroScaleBase::_mapFactory

protected

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

Constructor & Destructor Documentation

virtual FuelCellShop::MicroScale::MicroScaleBase::~MicroScaleBase ( )

inlinevirtual

Destructor.

FuelCellShop::MicroScale::MicroScaleBase::MicroScaleBase ( )

inlineprotected

Member Function Documentation

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

pure virtual

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

water.

Returns a fraction.

Implemented in FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::WaterConicalPoreAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerate, and FuelCellShop::MicroScale::HybridAgglomerate.

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

pure virtual

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

Several other functionals may be returned (effectiveness, coverages) Returns current density in [A/cm^3 of sold volume]

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

Implemented in FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerate, and FuelCellShop::MicroScale::WaterConicalPoreAgglomerate.

virtual std::vector<double> FuelCellShop::MicroScale::MicroScaleBase::compute_derivative_current ( )

inlinevirtual

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

Returns current density derivatives in [A/cm^3 of solid/liquid phase micro structure]

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

Usage details

Call has_derivatives to check if it is OK to call this function.

Reimplemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, and FuelCellShop::MicroScale::IonomerAgglomerateAnalytical.

static boost::shared_ptr<FuelCellShop::MicroScale::MicroScaleBase > FuelCellShop::MicroScale::MicroScaleBase::create_MicroStructure	(	ParameterHandler &	param,
		FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > *	layer
	)

inlinestatic

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

* set Microscale type = IonomerAgglomerateAnalytical

*

current options are [ IonomerAgglomerateAnalytical | IonomerAgglomerateNumerical | IonomerAgglomerateSun | WaterAgglomerateNumerical | WaterConicalPoreAgglomerate]

The parameter object must already be set to the appropriate subsection.

The MultiScaleCL that calls this function must pass a pointer of itself so that the micro structure class can call MultiScaleCl->get_resources() and ->get_properties().

References get_mapFactory(), and FcstUtilities::log.

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

protectedpure virtual

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

Warning: This class MUST be redeclared in every child.

Implemented in FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::HybridAgglomerate, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::IonomerAgglomerate, and FuelCellShop::MicroScale::WaterConicalPoreAgglomerate.

static void FuelCellShop::MicroScale::MicroScaleBase::declare_MicroScale_parameters ( ParameterHandler & param )

inlinestatic

Function used to declare all the data necessary in the parameter files for all MicroScale children.

This member function should be used instead of declare_parameters().

Parameters

param ParameterHandler object used to store all information about the simulation. Used to read the parameter file. The parameter object should already be set to the desired subsection.

The parameter subsection would look as follows:

* subsection MicroScale
*   set Microscale type = IonomerAgglomerateAnalytical
*   subsection AgglomerateBase
*     set Radius of the agglomerate [nm] = 200
*     set Constant agglomerate parameter [Thickness | Porosity] =  Porosity #Variable used to select if thickness or porosity should be constant
*     set Thickness of the agglomerate film [nm] = 15
*     set Agglomerate porosity = 0.25
*   end
*
*   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
*
*   subsection IonomerAgglomerateNumerical
*      set Proton Conductivity factor = 1.0
*      set Use non equilibrium BC = false
*      set Non Equilibrium BC Rate constant = 1.0
*   end
*
*   #No parameters so far for other microscale types
*
* end
*
* 

References get_mapFactory().

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

protectedpure virtual

Implemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::IonomerAgglomerate, FuelCellShop::MicroScale::HybridAgglomerate, FuelCellShop::MicroScale::WaterConicalPoreAgglomerate, and FuelCellShop::MicroScale::NumericalAgglomerateBase.

static _mapFactory* FuelCellShop::MicroScale::MicroScaleBase::get_mapFactory ( )

inlinestaticprotected

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

Warning: This class MUST be redeclared in every child.

Referenced by create_MicroStructure(), and declare_MicroScale_parameters().

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

pure virtual

Return name of class instance, i.e.

concrete name.

Implemented in FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::WaterConicalPoreAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerate, and FuelCellShop::MicroScale::HybridAgglomerate.

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

pure virtual

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

Usage details

Call this function if unsure whether or not to call compute_derivative_current.

Implemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, and FuelCellShop::MicroScale::ICCP.

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

protectedpure virtual

Implemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::IonomerAgglomerate, FuelCellShop::MicroScale::HybridAgglomerate, FuelCellShop::MicroScale::WaterConicalPoreAgglomerate, and FuelCellShop::MicroScale::NumericalAgglomerateBase.

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

pure virtual

Implemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::NumericalAgglomerateBase, and FuelCellShop::MicroScale::ICCP.

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

pure virtual

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

Implemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::ICCP, and FuelCellShop::MicroScale::HybridAgglomerate.

void FuelCellShop::MicroScale::MicroScaleBase::set_layer ( FuelCellShop::Layer::MultiScaleCL< deal_II_dimension > * _layer )

inlineprotected

References layer.

virtual void FuelCellShop::MicroScale::MicroScaleBase::set_solution	(	const std::map< VariableNames, SolutionVariable > &	,
		const VariableNames &	,
		const int &
	)

pure 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.

Implemented in FuelCellShop::MicroScale::AgglomerateBase, FuelCellShop::MicroScale::PolyAgglomerate, and FuelCellShop::MicroScale::ICCP.

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

protectedpure virtual

Implemented in FuelCellShop::MicroScale::PolyAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateSun, FuelCellShop::MicroScale::ICCP, FuelCellShop::MicroScale::WaterAgglomerate, FuelCellShop::MicroScale::IonomerAgglomerateAnalytical, FuelCellShop::MicroScale::IonomerAgglomerate, FuelCellShop::MicroScale::HybridAgglomerate, and FuelCellShop::MicroScale::WaterConicalPoreAgglomerate.