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. More...

	DesignMPL ()
	Replica Constructor. More...

	~DesignMPL ()
	Destructor. More...

void	declare_parameters (ParameterHandler &param) const
	Declare parameters for a parameter file. More...

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. More...

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

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

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

virtual void	effective_gas_diffusivity (std::vector< Tensor< 2, dim > > &) const
	Return the effective diffusivity [`m^2/s`] for nonisothermal with/without two-phase case in the MPL. More...

virtual void	derivative_effective_gas_diffusivity (std::map< VariableNames, std::vector< Tensor< 2, dim > > > &) const
	Return the derivative of effective diffusivity w.r.t solution variables/design parameters for nonisothermal with/without two-phase case in the MPL. More...

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

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

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

virtual void	effective_thermal_conductivity (double &) const
	Compute the effective thermal conductivity. More...

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

virtual void	effective_thermal_conductivity (std::vector< Tensor< 2, dim > > &) const
	Compute the effective thermal conductivity at all quadrature points in the cell. More...

virtual void	liquid_permeablity (std::vector< Tensor< 2, dim > > &) const
	Compute the anisotropic MPL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell. More...

virtual void	derivative_liquid_permeablity (std::map< VariableNames, std::vector< Tensor< 2, dim > > > &) const
	Compute the derivative of the anisotropic liquid permeability in the MPL with respect to either the solution or design parameters, at all quadrature points in the cell. More...

virtual void	saturated_liquid_permeablity_PSD (double &) const
	Compute the anisotropic CL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell. More...

virtual void	relative_liquid_permeability_PSD (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of the anisotropic liquid permeability in the GDL with respect to either the solution or design parameters, at all quadrature points in the cell. More...

virtual void	derivative_relative_liquid_permeablity_PSD (std::vector< double > &) const

virtual void	derivative_relative_liquid_permeablity_PSD (std::map< VariableNames, std::vector< Tensor< 2, dim > > > &) const

virtual void	pcapillary (std::vector< double > &) const
	Compute $p_c \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the cell. More...

virtual void	saturation_from_capillary_equation (std::vector< double > &) const

virtual void	derivative_saturation_from_capillary_equation_PSD (std::vector< double > &) const

virtual void	dpcapillary_dsat (std::vector< double > &) const
	Compute $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the MPL. More...

virtual void	derivative_dpcapillary_dsat (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ in the MPL, with respect to either the solution or design parameters, at all quadrature points in the cell. More...

virtual void	interfacial_surface_area (std::vector< double > &) const
	Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the MPL. More...

virtual void	derivative_interfacial_surface_area (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the MPL. More...

virtual void	interfacial_surface_area_PSD (std::vector< double > &) const
	Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the CL. More...

virtual void	derivative_interfacial_surface_area_PSD (std::vector< double > &) const
	Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL. More...

virtual void	derivative_interfacial_surface_area_PSD (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL. More...

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. More...

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. More...

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

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. More...

virtual void	derivative_effective_thermal_conductivity (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of effective thermal conductivity with respect to temperature. More...

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. More...

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`]. More...

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). More...

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. More...

void	set_gas_mixture (FuelCellShop::Material::GasMixture &rgas_mixture)
	Set `gas_mixture`. More...

void	set_porosity_permeability_tortuosity_booleans (const bool &rporosity_is_constant, const bool &rpermeability_is_constant, const bool &rtortuosity_is_constant)
	Set. More...

void	set_pressure (const SolutionVariable &p_in)
	Member function used to set the temperature [`Kelvin`] at every quadrature point inside the cell. More...

void	set_temperature (const SolutionVariable &T_in)
	Member function used to set the temperature [`Kelvin`] at every quadrature point inside the cell. More...

void	set_saturation (const SolutionVariable &s_in)
	Member function used to set the liquid water saturation at every quadrature point inside the cell. More...

void	set_capillary_pressure (const SolutionVariable &p_in)
	Member function used to set the liquid water saturation at every quadrature point inside the cell. More...

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. More...

std::vector < FuelCellShop::Material::PureGas * >	get_gases () const
	Returns the vector of FuelCellShop::Material::PureGas pointers stored in the porous layer. More...

const FuelCellShop::Material::GasMixture *const	get_gas_mixture () const
	This function returns `gas_mixture`. More...

void	get_gas_index (FuelCellShop::Material::PureGas *gas_type, int &index) const
	Return the gas index in the GDL class. More...

void	get_T_and_p (double &T, double &p) const
	Return the constant temperature [`Kelvin`] and constant pressure [`atm`] inside the layer. More...

void	get_p (double &p) const
	Return the constant pressure [`atm`] inside the layer. More...

const bool &	get_porosity_is_constant () const
	This function returns `porosity_is_constant`. More...

const bool &	get_permeability_is_constant () const
	This function returns `permeability_is_constant`. More...

const bool &	get_tortuosity_is_constant () const
	This function returns `tortuosity_is_constant`. More...

double	get_porosity () const
	This function computes constant porosity in quadrature points of a mesh entity. More...

void	get_porosity (std::vector< double > &dst) const
	This function computes constant porosity in quadrature points of a mesh entity. More...

void	get_porosity (std::vector< double > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable porosity in quadrature points of a mesh entity. More...

void	get_permeability (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes constant permeability in quadrature points of a mesh entity. More...

void	get_permeability (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes square root of constant permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes square root of variable permeability in quadrature points of a mesh entity. More...

void	get_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes inverse of constant permeability in quadrature points of a mesh entity. More...

void	get_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes inverse of variable permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes inverse of square root of constant permeability in quadrature points of a mesh entity. More...

void	get_SQRT_permeability_INV (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes inverse of square root of variable permeability in quadrature points of a mesh entity. More...

void	get_Forchheimer_permeability (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes constant Forchheimer permeability in quadrature points of a mesh entity. More...

void	get_Forchheimer_permeability (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable Forchheimer permeability in quadrature points of a mesh entity. More...

void	get_tortuosity (std::vector< SymmetricTensor< 2, dim > > &dst) const
	This function computes constant tortuosity in quadrature points of a mesh entity. More...

void	get_tortuosity (std::vector< SymmetricTensor< 2, dim > > &dst, const std::vector< Point< dim > > &points) const
	This function computes variable tortuosity in quadrature points of a mesh entity. More...

virtual void	effective_gas_diffusivity (Table< 2, double > &D_eff) const
	Return the effective diffusivty in the GDL for all the gases assigned to the layer using set_gases_and_compute. More...

virtual void	gas_diffusion_coefficient (std::vector< double > &D_b) const
	Member function used to compute diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

virtual void	gas_diffusion_coefficient (std::vector< double > &D_b, std::vector< double > &dD_b_dT) const
	Member function used to compute diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

void	molecular_gas_diffusion_coefficient (std::vector< double > &D_m) const
	Member function used to compute molecular diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

void	molecular_gas_diffusion_coefficient (std::vector< double > &D_m, std::vector< double > &dD_m_dT) const
	Member function used to compute molecular diffusion for a solute_gas, solvent_gas combination at a given temperature and pressure. More...

void	Knudsen_diffusion (std::vector< double > &D) const
	Member function used to get the Knudsen diffusivity in the layer after calling compute_gas_diffusion. More...

void	Knudsen_diffusion (std::vector< double > &D, std::vector< double > &dD_dT) const
	Member function used to compute the Knudsen diffusivity in the layer.after calling compute_gas_diffusion. More...

void	compute_Knudsen_diffusion (const FuelCellShop::Material::PureGas *solute_gas, const SolutionVariable &T_in, std::vector< double > &D_k) const
	Member function used to compute the Knudsen diffusivity in the layer. More...

void	compute_Knudsen_diffusion (const FuelCellShop::Material::PureGas *solute_gas, const SolutionVariable &T_in, std::vector< double > &D_k, std::vector< double > &dD_k_dT) const
	Member function used to compute the Knudsen diffusivity in the layer. More...

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. More...

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. More...

void	set_position (const std::vector< Point< dim > > &p)
	Member function used by some applications such as dummyGDL in order to know which value to return. More...

virtual void	set_local_material_id (const unsigned int &id)
	Function for setting local material id, for unit testing purposes. More...

void	unset_local_material_id ()
	Function for unsetting local material id, so that it isn't incorrectly used later Once the key is "unset" to some invalid value, an error will be thrown if the key is requested again without being set. More...

virtual void	set_constant_solution (const double &value, const VariableNames &name)
	Set those solution variables which are constant in the particular application. More...

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. More...

bool	belongs_to_material (const unsigned int material_id)
	Check if a given cell belongs to the catalyst layer and assign. More...

const std::string &	name_layer () const
	Return the name of the layer. More...

virtual bool	test_layer ()
	This virtual class should be used for any derived class to be able to test the functionality of the class. More...

std::vector< unsigned int >	get_material_ids ()
	Return the local material id of the layer. More...

unsigned int	local_material_id () const
	Return the local material id of the layer, performs a check. More...

Protected Attributes
Internal variables
bool	anisotropy
	General properties. More...

double	porosity
	Porosity of the GDL. More...

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

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

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

std::string	method_eff_thermal_conductivity
	Method used to compute effective thermal conductivity. More...

double	electrical_conductivity
	Electrical conductivity from the input file. More...

double	thermal_conductivity
	Thermal conductivity from the input file. More...

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

Tensor< 2, dim >	matrix_thermal_conductivity
	Thermal conductivity from the input file in the anisotripic case. More...

std::string	method_rel_liquid_permeability
	Method used to compute the relative liquid permeability. More...

double	s_irr
	Irreducible liquid water saturation value in the MPL. More...

std::vector< double >	porosity_th
	Anisotropic properties. More...

std::vector< double >	porosity_mu
	Network constant. More...

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

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

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

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

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

std::vector< double >	abs_permeability
	Absolute permeability [cm^2] of the layer. More...

std::string	method_capillary_function
	Method used to compute capillary pressure as a function of saturation. More...

double	compaction_pressure
	MPL Compaction pressure, $C ~\left[ MPa \right]$ . More...

double	PTFE_loading
	PTFE loading (% wt) in the MPL. More...

double	kumbur_factor
	Factor calculated based on Kumbur et al (2007), to be used in capillary pressure computation, given as: $2^{0.4 C} ~ \sqrt{ \frac{\epsilon_c}{\kappa} }$ . More...

Protected Attributes inherited from FuelCellShop::Layer::MicroPorousLayer< dim >
bool	anisotropy
	Anisotropy variable. More...

Tensor< 2, dim >	oxygen_diffusivity
	Oxygen diffusion coefficient. More...

Tensor< 2, dim >	water_diffusivity
	Water diffusion coefficient. More...

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

Tensor< 2, dim >	thermal_conductivity
	Thermal conductivity from the input file in the anisotripic case. More...

Protected Attributes inherited from FuelCellShop::Layer::PorousLayer< dim >
FuelCellShop::Material::GasMixture *	gas_mixture
	Gas mixture. More...

std::vector < FuelCellShop::Material::PureGas * >	gases
	Gases inside a porous layer. More...

bool	porosity_is_constant
	Variable defining if the porosity is constant. More...

bool	permeability_is_constant
	Variable defining if the permeability is constant. More...

bool	tortuosity_is_constant
	Variable defining if the tortuosity is constant. More...

double	porosity
	User defined constant porosity. More...

bool	use_Bosanquet
	Boolean flag that specifies if Knudsen effects should be accounted for. More...

double	Knudsen_radius
	Parameter used to define Knudsen pore radius. More...

SymmetricTensor< 2, dim >	permeability
	User defined constant permeability, m^2. More...

SymmetricTensor< 2, dim >	SQRT_permeability
	Square root of user defined constant permeability, m. More...

SymmetricTensor< 2, dim >	permeability_INV
	Inverse of user defined constant permeability, 1/m^2. More...

SymmetricTensor< 2, dim >	SQRT_permeability_INV
	Inverse of square root of user defined constant permeability, 1/m. More...

SymmetricTensor< 2, dim >	Forchheimer_permeability
	User defined constant Forchheimer permeability, 1/m. More...

SymmetricTensor< 2, dim >	tortuosity
	User defined constant tortuosity. More...

std::string	diffusion_species_name
	If GDL properties are stored inside the class (e.g DummyGDL) then, return the property stored under coefficient_name name. More...

double	temperature
	Temperature [`K`] used to compute gas diffusivity. More...

double	pressure
	Total pressure [`atm`] used to compute gas diffusivity. More...

SolutionVariable	p_vector
	Pressure at every quadrature point inside the cell in [Pa]. More...

SolutionVariable	T_vector
	Temperature at every quadrature point inside the cell in [K]. More...

SolutionVariable	s_vector
	Liquid water saturation at every quadrature point inside the cell [-]. More...

SolutionVariable	capillary_pressure_vector
	Liquid water capillary pressure at every quadrature point inside the cell in [Pa]. More...

Table< 2, double >	D_ECtheory
	Tensor of diffusion coefficients This are computed with setting up the gas so that they do not need to be recomputed all the time. More...

std::vector< Table< 2, double > >	dD_ECtheory_dx
	Vector of tensors for the derivative of the diffusion coefficients – This are computed with setting up the gas so that they do not need to be recomputed all the time. More...

std::vector< double >	D_molecular
	Vector of molecular diffusion coefficients at every quadrature point inside the cell in m^2/s. More...

std::vector< double >	dD_molecular_dT
	Vector of derivatives for molecular diffusion coefficients w.r.t temperature, at every quadrature in m^2/s. More...

std::vector< double >	D_k
	Vector of Knudsen diffusion coefficients at every quadrature point inside the cell in m^2/s. More...

std::vector< double >	dD_k_dT
	Vector of derivatives for Knudsen diffusion coefficients w.r.t temperature, at every quadrature in m^2/s. More...

std::vector< double >	D_bulk
	Vector of bulk diffusion coefficients at every quadrature point inside the cell. More...

std::vector< double >	dD_bulk_dT
	Vector of derivative of bulk diffusion coefficients w.r.t temperature, at every quadrature point inside the cell. More...

bool	PSD_is_used
	Boolean flag to specify if a PSD is to be used to estimate saturation, permeability, etc. More...

std::string	PSD_type
	PSD class type from input file. More...

boost::shared_ptr < FuelCellShop::MicroScale::BasePSD < dim > >	PSD
	Pointer to the PSD object. More...

FuelCellShop::MicroScale::BasePSD < dim > *	psd_pointer
	Pointer to the PSD object. More...

FuelCellShop::Material::PureGas *	solute_gas
	Pointer used to store the solute gas for computing binary diffusion coefficients. More...

FuelCellShop::Material::PureGas *	solvent_gas
	Pointer used to store the solute gas for computing binary diffusion coefficients. More...

Protected Attributes inherited from FuelCellShop::Layer::BaseLayer< dim >
const std::string	name
	Name of the layer. More...

std::vector< unsigned int >	material_ids
	List of material IDs that belong to the layer. More...

std::vector< Point< dim > >	point
	Coordinates of the point where we would like to compute the effective properties. More...

std::vector< VariableNames >	derivative_flags
	Flags for derivatives: These flags are used to request derivatives. More...

std::map< VariableNames, double >	constant_solutions
	Map storing values of solution variables constant in a particular application. More...

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

void	declare_parameters (const std::string &mpl_section_name, ParameterHandler &param) const
	Declare parameters for a parameter file. More...

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. More...

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

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. More...

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. More...

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. More...

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

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. More...

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

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

	~MicroPorousLayer ()
	Destructor. More...

void	declare_parameters (const std::string &name, ParameterHandler &param) const
	Declare parameters for a parameter file. More...

Protected Member Functions inherited from FuelCellShop::Layer::PorousLayer< dim >
	PorousLayer (const std::string &name)
	Constructor. More...

	PorousLayer ()
	Constructor. More...

	PorousLayer (const std::string &name, FuelCellShop::Material::GasMixture &gas_mixture)
	Constructor. More...

virtual	~PorousLayer ()
	Destructor. More...

void	print_caller_name (const std::string &caller_name) const
	This function is used to print out the name of another function that has been declared in the scope of this class, but not yet been implemented. More...

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. More...

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. More...

Protected Member Functions inherited from FuelCellShop::Layer::BaseLayer< dim >
	BaseLayer ()
	Constructor. More...

	BaseLayer (const std::string &name)
	Constructor. More...

virtual	~BaseLayer ()
	Destructor. More...

virtual 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. More...

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. More...

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 >::derivative_dpcapillary_dsat ( std::map< VariableNames, std::vector< double > > & ) const

virtual

Compute the derivative of $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ in the MPL, with respect to either the solution or design parameters, at all quadrature points in the cell.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_effective_gas_diffusivity ( std::map< VariableNames, std::vector< Tensor< 2, dim > > > & ) const

virtual

Return the derivative of effective diffusivity w.r.t solution variables/design parameters for nonisothermal with/without two-phase case in the MPL.

It transforms bulk diffusion properties computed using compute_gas_diffusion method and transforms it into an effective property, taking into account the porosity, saturation and MPL structure (Anisotropic case), at all quadrature points of the cell.

Note: : For two-phase case, set_saturation should be called before using this method, otherwise this method assumes saturation value to be zero.

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_interfacial_surface_area ( std::map< VariableNames, std::vector< double > > & ) const

virtual

Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the MPL.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags().

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_interfacial_surface_area_PSD ( std::vector< double > & ) const

virtual

Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags().

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_interfacial_surface_area_PSD ( std::map< VariableNames, std::vector< double > > & ) const

virtual

Compute the derivative of the liquid-gas interfacial surface area per unit volume, with respect to either the solution variables or design parameters, at all quadrature points in the CL.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags().

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_liquid_permeablity ( std::map< VariableNames, std::vector< Tensor< 2, dim > > > & ) const

virtual

Compute the derivative of the anisotropic liquid permeability in the MPL with respect to either the solution or design parameters, at all quadrature points in the cell.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_relative_liquid_permeablity_PSD ( std::vector< double > & ) const

virtual

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_relative_liquid_permeablity_PSD ( std::map< VariableNames, std::vector< Tensor< 2, dim > > > & ) const

virtual

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::derivative_saturation_from_capillary_equation_PSD ( std::vector< double > & ) const

virtual

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::dpcapillary_dsat ( std::vector< double > & ) const

virtual

Compute $\frac{\partial p_c}{\partial s} \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the MPL.

Reimplemented from FuelCellShop::Layer::MicroPorousLayer< 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,
		const double &	saturation,
		double &	effective_property
	)		const

virtual

Compute the effective property in the pores of the MPL.

This is used for example to compute effective diffusivity of gases. The method takes in bulk diffusion coefficient [m^2/s] and non-negative liquid water saturation as the first and second argument respectively. 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,
		const double &	saturation,
		Tensor< 2, dim > &	effective_property
	)		const

virtual

Compute the effective property in the pores of the MPL.

This is used for example to compute effective diffusivity of gases. The method takes in bulk diffusion coefficient [m^2/s] and non-negative liquid water saturation as the first and second argument respectively. 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 ( std::vector< Tensor< 2, dim > > & ) const

virtual

Return the effective diffusivity [m^2/s] for nonisothermal with/without two-phase case in the MPL.

It takes bulk diffusivity, computed using compute_gas_diffusion method and transforms it into an effective property, taking into account the porosity, saturation and MPL structure (Anisotropic case), at all quadrature points of the cell.

Note: : For two-phase case, set_saturation should be called before using this method, otherwise this method assumes saturation value to be zero.

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. This method is to be used only for a single-phase, isothermal application.

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

template<int dim>

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

virtual

Compute the effective thermal conductivity.

It's computed based on the "Method effective thermal conductivity" specified in the parameter file. This function is used for the isotropic MPL

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

template<int dim>

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

virtual

Compute the effective thermal conductivity.

It's computed based on the "Method effective thermal conductivity" specified in the parameter file. This function is used for the anisotropic MPL.

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

template<int dim>

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

virtual

Compute the effective thermal conductivity at all quadrature points in the cell.

It's computed based on the "Method effective thermal conductivity" specified in the parameter file. This function is used for the anisotropic MPL.

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>

virtual void FuelCellShop::Layer::DesignMPL< dim >::interfacial_surface_area ( std::vector< double > & ) const

virtual

Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the MPL.

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::interfacial_surface_area_PSD ( std::vector< double > & ) const

virtual

Compute the liquid-gas interfacial surface area per unit volume, $a_{lv} ~\left[ \frac{cm^2}{cm^3} \right]$ , at all quadrature points in the CL.

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

template<int dim>

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

virtual

Compute the anisotropic MPL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell.

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::pcapillary ( std::vector< double > & ) const

virtual

Compute $p_c \quad \left[ dyne \cdot cm^{-2}\right]$ , at all quadrature points in the cell.

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

template<int dim>

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

virtual

Compute the derivative of the anisotropic liquid permeability in the GDL with respect to either the solution or design parameters, at all quadrature points in the cell.

The parameters with respect to which the derivatives are computed are setup in FuelCellShop::Layer::set_derivative_flags()

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

template<int dim>

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

virtual

Compute the anisotropic CL liquid permeability $\left[ cm^2 \right]$ , at all quadrature points in the cell.

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

template<int dim>

virtual void FuelCellShop::Layer::DesignMPL< dim >::saturation_from_capillary_equation ( std::vector< double > & ) const

virtual

Reimplemented from FuelCellShop::Layer::MicroPorousLayer< 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::BaseLayer< 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.

References FcstUtilities::log.

Member Data Documentation

template<int dim>

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

protected

Absolute permeability [cm^2] of the layer.

template<int dim>

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

protected

General properties.

Anisotropy ?

template<int dim>

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

protected

MPL Compaction pressure, $C ~\left[ MPa \right]$ .

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>

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

protected

Factor calculated based on Kumbur et al (2007), to be used in capillary pressure computation, given as: $2^{0.4 C} ~ \sqrt{ \frac{\epsilon_c}{\kappa} }$ .

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>

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

protected

Thermal conductivity from the input file in the anisotripic case.

template<int dim>

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

protected

Method used to compute capillary pressure as a function of saturation.

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>

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

protected

Method used to compute effective thermal conductivity.

template<int dim>

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

protected

Method used to compute the relative liquid permeability.

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 >::PTFE_loading

protected

PTFE loading (% wt) in the MPL.

template<int dim>

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

protected

Irreducible liquid water saturation value in the MPL.

template<int dim>

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

protected

Volume fraction of solid phase, i.e.

fibres

template<int dim>

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

protected

Thermal conductivity from the input file.

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 >