This class defines an MPL where effective transport properties are computed using macro-homogeneous correlations to estimate the effective properties of the media. More...

#include <design_MPL.h>

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

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

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Public Member Functions
Constructors, destructor, and initalization
	DesignMPL (std::string name)
	Constructor.

	DesignMPL ()
	Replica Constructor.

	~DesignMPL ()
	Destructor.

void	declare_parameters (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, ParameterHandler &param)
	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.

Effective property calculators
virtual void	effective_gas_diffusivity (const double &property, double &effective_property) const
	Compute the effective property in the pores.

virtual void	effective_gas_diffusivity (const double &property, Tensor< 2, dim > &effective_property) const
	Compute the effective property in the pores.

virtual void	effective_gas_diffusivity (Table< 2, Tensor< 2, dim > > &D_eff) const
	Compute the effective property in the pores.

virtual void	effective_electron_conductivity (double &) const
	Compute the effective conductivity.

virtual void	effective_electron_conductivity (Tensor< 2, dim > &) const
	Compute the effective conductivity.

virtual void	effective_transport_property_solid (const double &property, double &effective_property) const
	Compute the effective property of a property that is defined by the network of fibres.

virtual void	effective_transport_property_solid (const Tensor< 2, dim > &property, Tensor< 2, dim > &effective_property) const
	Compute the effective property of a property that is defined by the network of fibres.

Public Member Functions inherited from FuelCellShop::Layer::MicroPorousLayer< dim >
void	declare_parameters (ParameterHandler &param) const
	Declare parameters for a parameter file.

void	initialize (ParameterHandler &param)
	Member function used to read in data and initialize the necessary data to compute the coefficients.

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 bool	set_method_effective_transport_property_solid (std::string)
	Specify the methodology to be used to compute the effective properties for the porous phase.

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 void	print_layer_properties () const
	This member function is a virtual class that can be used to output to screen information from 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 >
virtual void	set_derivative_flags (const std::vector< VariableNames > &flags)
	Set the variables for which you would like to compute the derivatives.

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.

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 > &)
	If the effective properties in the layer depend on the solution, the solution for a given cell should be passed to the class using this member function.

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.

Protected Attributes
Internal variables
bool	anisotropy
	General properties.

double	porosity
	Porosity of the GDL.

double	solid_phase
	Volume fraction of solid phase, i.e.

std::string	method_eff_property_pores
	Method used to compute the effective properties in the pores.

std::string	method_eff_property_fibres
	Method used to compute the effective properties in the solid phase.

double	electrical_conductivity
	Electrical conductivity from the input file.

Tensor< 2, dim >	matrix_electrical_conductivity
	Electrical conductivity from the input file in the anisotripic case.

std::vector< double >	porosity_th
	Anisotropic properties.

std::vector< double >	porosity_mu
	Network constant.

std::vector< double >	porosity_gamma
	Network constant gamma.

std::vector< double >	D_O2
	Oxygen Diffusion coefficient.

std::vector< double >	D_wv
	Water vapour diffusion coefficient.

std::vector< double >	fibre_th
	Solid (electron conductive) network of the MPL threshold.

std::vector< double >	fibre_mu
	Solid (electron conductive) network constant.

Declaration
static const std::string	concrete_name
	Concrete name used for objects of this class.

void	declare_parameters (const std::string &mpl_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 &name, ParameterHandler &param) const
	Member function used to set new parameters values in the optimization loop.

Instance Delivery
static DesignMPL< dim > const *	PROTOTYPE
	Prototype declaration.

virtual boost::shared_ptr < FuelCellShop::Layer::MicroPorousLayer < dim > >	create_replica (const std::string &name)
	This member function is used to create an object of type micro porous layer.

Additional Inherited Members
Static Public Member Functions inherited from FuelCellShop::Layer::MicroPorousLayer< dim >
static void	declare_MicroPorousLayer_parameters (const std::string &mpl_section_name, ParameterHandler &param)
	Function used to declare all the data necessary in the parameter files former all MicroPorousLayer children.

static void	set_MicroPorousLayer_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, const std::string &mpl_section_name, ParameterHandler &param)
	This routine is only used for optimization and parameteric studies purposes when using the Dakota Interface.

static boost::shared_ptr < FuelCellShop::Layer::MicroPorousLayer < dim > >	create_MicroPorousLayer (const std::string &mpl_section_name, ParameterHandler &param)
	Function used to select the appropriate MicroPorousLayer.

Static Public Attributes inherited from FuelCellShop::Layer::MicroPorousLayer< dim >
static const std::string	concrete_name
	Concrete name used for objects of this class.

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

Protected Member Functions inherited from FuelCellShop::Layer::MicroPorousLayer< dim >
	MicroPorousLayer ()
	Replica Constructor.

	MicroPorousLayer (const std::string &name)
	Constructor.

	~MicroPorousLayer ()
	Destructor.

void	declare_parameters (const std::string &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 &name, ParameterHandler &param) const
	Member function used to set new parameters values in the optimization loop.

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	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.

Static Protected Member Functions inherited from FuelCellShop::Layer::MicroPorousLayer< dim >
static _mapFactory *	get_mapFactory ()
	Return the map library that stores all childrens of this class.

Detailed Description

template<int dim>
class FuelCellShop::Layer::DesignMPL< dim >

This class defines an MPL where effective transport properties are computed using macro-homogeneous correlations to estimate the effective properties of the media.

Currently the following macro-homogeneous correlations are implemented for the gas phase:

Bruggemann: Most commonly used in the literature. The effective gas diffusivity only depends on the porosity of the media. The equation implemented is:
\[ D_{eff} = D*\epsilon^1.5 \]
where \( \epsilon \) is the porosity and is specified in the input file in the following section:
subsection Cathode microporous layer <- name of the subsection identified in the FuelCellShop::Layer::MicroPorousLayer< dim >::declare_all_MicroPorousLayer_parameters and FuelCellShop::Layer::MicroPorousLayer< dim >::create_MicroPorousLayer

set Material id = 3

set Micro porous layer type = DesignMPL <- concrete_name for this layer

subsection DesignMPL

set Porosity = 0.4 # Value used for epsilon

end

end
Percolation: First proposed by Eikerling, M., Kornyshev, A.A. Modelling the performance of the cathode catalyst layer of polymer electrolyte fuel cells (1998) Journal of Electroanalytical Chemistry 453 (1-2) , pp. 89-106, 181 and later modified and used in M. Secanell, K. Karan, A. Suleman and N. Djilali, "Multi-Variable Optimization of PEMFC Cathodes using an Agglomerate Model ", Electrochimica Acta, 52(22):6318-6337, 2007. and P. Dobson, C. Lei, T. Navessin, M. Secanell, "Characterization of the PEM Fuel Cell Catalyst Layer Microstructure by Nonlinear Least-Squares Parameter Estimation", Journal of the Electrochemical Society, 159(5), B1-B10, 2012. Effective propeties are computed based on the porosity, a porosity threshold and a coefficient that is related to the dimensionality of the lattice structure. The equation used is:
\[ D_{eff} = D*(\epsilon - \epsilon_{th})/(1 - \epsilon_{th})^\mu; \]
where \( \epsilon \) is the porosity, \( \epsilon_{th} \) is the threshold porosity below which the gas transport is zero due to a lack of connectiveness of the pores and \( \mu \) is a parameter between 2 and 3. These parameters might be specified for each direction in the media in the input file. The sections where they are specified are:

subsection Fuel cell data
(...)
subsection Cathode microporous layer
   set Material id = 3
   set Micro porous layer type = DesignMPL
   subsection DesignMPL
     set Porosity = 0.4                            # From experimental data (manufacturer's data) on Sigracel 24BC
     set Anisotropic transport = false
     ######### Pore network #########
     set Method effective transport properties in pores = Percolation          <- Specify if you would like to use Percolation or Bruggemann
     set Porosity threshold = 0.118                                            <- Specify threshold porosity value
     set Porosity network constant = 2.0                                       <- Specify mu value/
     ######### Solid network #########
     set Method effective transport properties in solid phase = Percolation
     set Electric conductivity = 88.84             # From experimental data (manufacturer's data) on Sigracel 24BC
     set Solid network threshold = 0.118
     set Solid network constant = 2.0
   end
 end
 (...)

If you would like to define an anisotripic media, please set Anisotropic transport = true and then all the properties will have an X, Y and Z at the end of their name, e.g. set Porosity threshold X = 0.118

For the solid phase properties the methods above can also be selected. The properties are set using the same rules.

Todo:: This class should be divided into two classes DummyMPL and DesignMPL. DummyMPL is a class where all effective properties are directly specified in the input file. DesignMPL is the class used to compute the effective properties based on effective porous media approximations.

Author: M. Secanell, 2013

Constructor & Destructor Documentation

template<int dim>

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

Constructor.

template<int dim>

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

Replica Constructor.

template<int dim>

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

inline

Destructor.

Member Function Documentation

template<int dim>

virtual boost::shared_ptr<FuelCellShop::Layer::MicroPorousLayer<dim> > FuelCellShop::Layer::DesignMPL< dim >::create_replica ( const std::string & name )

inlineprotectedvirtual

This member function is used to create an object of type micro porous layer.

Warning: This class MUST be redeclared in every child.

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

template<int dim>

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

inlinevirtual

Declare parameters for a parameter file.

Deprecated:: Use FuelCellShop::Layer::MicroPorousLayer<dim>::declare_all_MicroPorousLayer_parameters

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

template<int dim>

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

protectedvirtual

Declare parameters for a parameter file.

The parameters that need to be declared are

Porosity (default : 0.3) Represents the porosity in t*he GDL
Method effective transport properties in pores (default: Bruggemann) Other options "Given|Bruggemann|Percolation|Mezedur"
Method effective transport properties in fibres (default: Bruggemann) Other options "Given|Bruggemann|Percolation|Mezedur"

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_electron_conductivity ( double & ) const

virtual

Compute the effective conductivity.

To compute the effective properties it will use the method specified in set_method_effective_transport_property_solid . This function is used for the isotropic MPL

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_electron_conductivity ( Tensor< 2, dim > & ) const

virtual

Compute the effective conductivity.

To compute the effective properties it will use the method specified in set_method_effective_transport_property_solid . This function is used for the anisotropic MPL.

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_gas_diffusivity	(	const double &	property,
		double &	effective_property
	)		const

virtual

Compute the effective property in the pores.

This is used for example to compute effective diffusivity of gases. This routine is used in the isotropic case

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_gas_diffusivity	(	const double &	property,
		Tensor< 2, dim > &	effective_property
	)		const

virtual

Compute the effective property in the pores.

This is used for example to compute effective diffusivity of gases This routine can be used either in the isotropic or anisotripic case

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_gas_diffusivity ( Table< 2, Tensor< 2, dim > > & D_eff ) const

virtual

Compute the effective property in the pores.

This is used to compute effective diffusivity of gases. This routine can be used either in the isotropic or anisotropic cases. Bulk diffusion coefficients or their derivatives are obtained from Mixure::BinaryDiffusion classes inside this method.

Note: The routine FuelCellShop::Layer::PorousLayer< dim >::set_gases_and_compute (std::vector< FuelCellShop::Material::PureGas * > &gases, double pressure, double temperature) (in the parent class) should have been called prior to using this class.

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_transport_property_solid	(	const double &	property,
		double &	effective_property
	)		const

virtual

Compute the effective property of a property that is defined by the network of fibres.

For example this could be used to compute the effective electron conductivity or heat conduction. NOTE: Isotropic case

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::effective_transport_property_solid	(	const Tensor< 2, dim > &	property,
		Tensor< 2, dim > &	effective_property
	)		const

virtual

Compute the effective property of a property that is defined by the network of fibres.

For example this could be used to compute the effective electron conductivity or heat conduction. Note: Anisotropic case.

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

template<int dim>

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

virtual

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

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

template<int dim>

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

inlineprotected

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

Member Data Documentation

template<int dim>

bool FuelCellShop::Layer::DesignMPL< dim >::anisotropy

protected

General properties.

Anisotropy ?

template<int dim>

const std::string FuelCellShop::Layer::DesignMPL< 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 Microporous layer type = DummyMPL # <-here I select the type of object of type GasDiffusionLayer
   subsection DummyMPL # <- this is the concrete_name for this class
      set all info relevant to this object
   end
end

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::D_O2

protected

Oxygen Diffusion coefficient.

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::D_wv

protected

Water vapour diffusion coefficient.

template<int dim>

double FuelCellShop::Layer::DesignMPL< dim >::electrical_conductivity

protected

Electrical conductivity from the input file.

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::fibre_mu

protected

Solid (electron conductive) network constant.

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::fibre_th

protected

Solid (electron conductive) network of the MPL threshold.

template<int dim>

Tensor<2,dim> FuelCellShop::Layer::DesignMPL< dim >::matrix_electrical_conductivity

protected

Electrical conductivity from the input file in the anisotripic case.

template<int dim>

std::string FuelCellShop::Layer::DesignMPL< dim >::method_eff_property_fibres

protected

Method used to compute the effective properties in the solid phase.

template<int dim>

std::string FuelCellShop::Layer::DesignMPL< dim >::method_eff_property_pores

protected

Method used to compute the effective properties in the pores.

template<int dim>

double FuelCellShop::Layer::DesignMPL< dim >::porosity

protected

Porosity of the GDL.

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::porosity_gamma

protected

Network constant gamma.

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::porosity_mu

protected

Network constant.

template<int dim>

std::vector<double> FuelCellShop::Layer::DesignMPL< dim >::porosity_th

protected

Anisotropic properties.

Porosity of the GDL threshold

template<int dim>

DesignMPL<dim> const* FuelCellShop::Layer::DesignMPL< dim >::PROTOTYPE

staticprotected

Prototype declaration.

template<int dim>

double FuelCellShop::Layer::DesignMPL< dim >::solid_phase

protected

Volume fraction of solid phase, i.e.

fibres

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

design_MPL.h

Public Member Functions

Protected Attributes

Declaration

Instance Delivery

Additional Inherited Members

Detailed Description

template<int dim> class FuelCellShop::Layer::DesignMPL< dim >

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation

template<int dim>
class FuelCellShop::Layer::DesignMPL< dim >