This class characterizes a catalyst layer and uses this information to compute effective transport properties and interfacial areas for phase change or electrochemical reactions. More...

#include <multi_scale_CL.h>

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

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

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Public Member Functions
virtual void	set_cell_id (const unsigned int &id)
	Function for setting current cell_id from applications. More...

	~MultiScaleCL ()
	Destructor. More...

Public Member Functions inherited from FuelCellShop::Layer::ConventionalCL< dim >
	ConventionalCL ()

virtual	~ConventionalCL ()
	Destructor. More...

virtual void	set_local_material_id (const unsigned int &id)
	Re-implementation of the parent set_local_material_id class to initialize the porosity variable to the right value once the material ID is changed. More...

virtual void	get_volume_fractions (std::map< std::string, double > &volume_fractions)
	Get the volume fractions in the catalyst layer. More...

virtual void	get_loadings (std::map< std::string, double > &info)
	Return loadings. More...

double	get_V_Pt (const unsigned int mat_id=numbers::invalid_material_id) const
	Return the platinum loading per cm3 catalyst layer. More...

virtual double	get_active_area_Pt () const
	Get the active area of platinum per unit volume of CL. More...

virtual void	effective_gas_diffusivity (const double &, const double &, double &) const
	Compute the effective property in the pores of the CL. 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 CL. 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 CL. More...

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

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

virtual void	effective_electron_conductivity (Tensor< 2, dim > &) const
	Compute the effective electron conductivity in the CL as an anisotropic tensor. More...

virtual void	derivative_effective_electron_conductivity (std::vector< double > &) const
	Compute the derivative of the effective electron conductivity in the GDL with respect to either the solution or design parameters. More...

virtual void	effective_proton_conductivity (double &) const
	Compute the effective proton conductivity in the CL. More...

virtual void	effective_proton_conductivity (std::vector< double > &) const
	Compute the effective proton conductivity, at all quadrature points in the cell, mainly as a function of Temperature. More...

virtual void	derivative_effective_proton_conductivity (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the effective proton conductivity in the CL with respect to either the solution or design parameters. More...

virtual void	effective_water_diffusivity (double &) const
	Compute the effective water diffusivity (lambda diffusivity) in the CL. More...

virtual void	effective_water_diffusivity (std::vector< double > &) const
	Compute the effective water diffusivity (lambda diffusivity) at all quadrature points in the CL. More...

virtual void	derivative_effective_water_diffusivity (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the effective water diffusivity (lambda diffusivity) in the CL with respect to either the solution or design parameters. More...

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

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

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

virtual void	effective_thermoosmotic_diffusivity (std::vector< double > &) const
	Compute the effective thermo-osmotic diffusivity of lambda (sorbed water), at all quadrature points in the CL. More...

virtual void	derivative_effective_thermoosmotic_diffusivity (std::map< VariableNames, std::vector< double > > &) const
	Compute the derivative of the effective thermo-osmotic diffusivity of lambda (sorbed water) in the CL with respect to either the solution or design parameters. More...

virtual void	liquid_permeablity (std::vector< Tensor< 2, dim > > &) const
	Compute the anisotropic CL 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 CL 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 anisotropic CL liquid permeability $\left[ cm^2 \right]$ , 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 CL. 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 CL, 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 CL. 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 CL. 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...

Public Member Functions inherited from FuelCellShop::Layer::CatalystLayer< dim >
std::string	get_kinetics_type ()
	Method for getting string describing kinetics type (corresponding to kinetics class concrete names) 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 > &)
	This method is used to set the solution variable values in the kinetics object, at all quadrature points in the cell. More...

virtual void	set_derivative_flags (const std::vector< VariableNames > &flags)
	Method used to set the variables for which you would like to compute the derivatives in the catalyst layer. More...

void	set_reaction_kinetics (const ReactionNames rxn_name)
	Member function used to specify the reaction for which the kinetic parameters are needed, for example for a Platinum catalyst, we can specify that we need the kinetic parameters for either the oxygen reduction reaction (ORR) or the hydrogen oxidation reaction (HOR) 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_electron_conductivity (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of the effective electron conductivity in the GDL with respect to either the solution or design parameters. More...

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

virtual void	derivative_effective_thermal_conductivity (std::vector< double > &) const
	Compute the derivative of the effective thermal conductivity in the CL with respect to either the solution or design parameters. More...

virtual void	gas_permeablity (double &) const
	Compute the CL gas permeability. More...

virtual void	gas_permeablity (Tensor< 2, dim > &) const
	Compute the CL gas permeability. More...

virtual void	derivative_gas_permeablity (std::vector< double > &) const
	Compute the derivative of the effective gas permeability in the GDL with respect to either the solution or design parameters. More...

virtual void	derivative_gas_permeablity (std::vector< Tensor< 2, dim > > &) const
	Compute the derivative of the effective gas permeability in the GDL with respect to either the solution or design parameters. More...

virtual FuelCellShop::Material::PolymerElectrolyteBase *	get_electrolyte () const
	Method to provide access to pointer of the electrolyte object of the catalyst layer. More...

virtual FuelCellShop::Kinetics::BaseKinetics *	get_kinetics () const
	Method to provide access to pointer of the kinetic object of the catalyst layer. 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...

Public Member Functions inherited from FuelCellShop::Layer::BaseLayer< dim >
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...

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...

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...

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

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

Protected Member Functions
Constructors, destructor, and initalization
	MultiScaleCL ()
	Prototype Constructor. More...

	MultiScaleCL (std::string name)
	Constructor. More...

void	declare_parameters (ParameterHandler &param) const
	Declare all necessary parameters in order to compute the coefficients. More...

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

Constructors and declarations
void	declare_parameters (const std::string &cl_section_name, ParameterHandler &param) const
	Constructor. More...

Instance Delivery (Replica creator)
virtual boost::shared_ptr < FuelCellShop::Layer::CatalystLayer < dim > >	create_replica (const std::string &cl_section_name)
	This member function is used to create an object of type gas diffusion layer. More...

Internal member functions
void	compute_void_fraction ()
	Compute porosity and volume fraction of solid and ionomer in the catalyst layer. More...

void	initialize_micro_scale (ParameterHandler &param)
	Creates the microscale objects populating the microscale object. More...

SolutionMap	micro_scale_current (std::map< VariableNames, SolutionVariable > &solutionMap, const unsigned int &sol_index, const unsigned int &thread_index)
	Private member functions for solving current density given an microscale. More...

void	solve_current_derivatives_average (std::map< VariableNames, std::vector< double > > &Dcurrent)
	Private member functions for solving for current derivatives in an averaging approach. More...

void	solve_current_derivatives_at_each_node (std::map< VariableNames, std::vector< double > > &Dcurrent)
	Private member functions for solving for current derivatives in a per node approach. More...

Protected Member Functions inherited from FuelCellShop::Layer::ConventionalCL< dim >
void	compute_volume_fraction ()
	Compute porosity and volume fraction of solid and ionomer in the catalyst layer. More...

void	compute_Av ()
	Compute the active area of catalyst in the layer by the specified method. More...

void	derivative_effective_proton_conductivity_wrt_electrolyte_loading (double &) const
	Compute the derivative of the effective proton conductivity w.r.t. More...

void	derivative_volume_fractions (double &Depsilon_S, double &Depsilon_V, double &Depsilon_N) const
	Function to compute the partial derivative of the volume fraction the different phases in the catalyst layer with respect to the design variables of the optimization problem. More...

void	get_method_transport_property_pores (std::string &method) const
	Get the effective transport method in the pores. More...

void	get_method_transport_property_electrolyte (std::string &method) const
	Get the effective transport method in the electrolyte. More...

void	get_method_transport_property_solid (std::string &method) const
	Get the effective transport method in the solid phase. More...

double	depsilon_S_cat_dprc_Pt (const double &V_Pt, const double &prc_Pt) const
	Inline function to compute $\frac{\partial \epsilon_S^{cat}}{\partial \%Pt}$ . More...

double	depsilon_S_cat_dVPt (const double &prc_Pt) const
	Inline function to compute $\frac{\partial \epsilon_S^{cat}}{\partial m_{Pt}}$ . More...

double	depsilon_V_cat_depsilon_S_cat () const
	Inline function to compute $\frac{\partial \epsilon_V^{cat}}{\partial \epsilon_S^{cat}}$ . More...

double	depsilon_V_cat_depsilon_N_cat () const
	Inline function to compute $\frac{\partial \epsilon_V^{cat}}{\partial \epsilon_S^{cat}}$ . More...

	ConventionalCL (std::string name)
	Constructor. More...

Protected Member Functions inherited from FuelCellShop::Layer::CatalystLayer< dim >
	CatalystLayer ()

	~CatalystLayer ()
	Destructor. More...

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

virtual void	set_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, ParameterHandler &param)
	Set parameters in parameter file. More...

Protected Attributes
bool	average_cell_current
	Boolean value to choose whether to average the current over the cell. More...

std::map< unsigned int, std::vector< boost::shared_ptr < FuelCellShop::MicroScale::MicroScaleBase > > >	micro
	Vector of shared_ptr microscale objects used for calculating current density and current density derivatives. More...

SolutionMap	coverage_map

unsigned int	cell_id_

Protected Attributes inherited from FuelCellShop::Layer::ConventionalCL< dim >
std::map< unsigned int, double >	epsilon_N
	Volume fraction of Nafion in the cathode catalyst layer. More...

std::map< unsigned int, double >	epsilon_V
	Void volume fraction (Porosity) of the catalyst layer. More...

std::map< unsigned int, double >	epsilon_S
	Solid volume fraction in the catalyst layer. More...

std::map< unsigned int, double >	epsilon_W
	Volume fraction of water in the cathode catalyst layer. More...

double	rho_Pt
	Density of platinum. More...

double	rho_c
	Density of support material. More...

std::map< unsigned int, double >	prc_Pt
	Percentage of platinum per carbon on the catalyst layer. More...

std::map< unsigned int, double >	V_Pt
	Platinum loading at the catalyst layer per unit volume. More...

std::map< unsigned int, double >	M_Pt
	Platinum loading at the catalyst layer per unit area. More...

std::map< unsigned int, double >	Av
	Active area of catalyst per unit volume of catalyst layer. More...

std::string	method_Av
	Method to compute active area. More...

std::string	method_porosity
	Method to compute porosity. More...

std::map< unsigned int, double >	L_CL
	Layer thickness or thicknesses. More...

double	rho_N
	Density of electrolyte. More...

std::map< unsigned int, double >	loading_N
	Electrolyte loading. More...

std::map< unsigned int, double >	IC_ratio
	Ionomer to carbon ratio. More...

std::map< unsigned int, double >	prc_N
	Percentage (mass fraction) of electrolyte in the catalyst layer. More...

std::string	method_eff_property_pores
	Method used to compute effective properties – Type of network. More...

double	porosity_th
	Porous network threshold. More...

double	porosity_mu
	Porous network constant. More...

double	porosity_gamma

std::string	method_eff_property_solid
	Method used to compute effective properties – Type of network. More...

double	solid_th
	Solid phase network threshold. More...

double	solid_mu
	Solid phase network constant. More...

std::string	method_eff_property_electrolyte
	Method used to compute effective properties – Type of network. More...

double	electrolyte_th
	Electrolyte network threshold. More...

double	electrolyte_mu
	Electrolyte network constant. More...

std::string	method_eff_thermal
	Method used to compute effective thermal conductivity in the catalyst layer. More...

std::map< unsigned int, double >	k_T
	Thermal Conductivity of the layer. More...

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

std::map< unsigned int, double >	s_irr
	Irreducible liquid water saturation value in the MPL. More...

std::map< unsigned int, 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...

Protected Attributes inherited from FuelCellShop::Layer::CatalystLayer< dim >
std::string	diffusion_species_name
	If CL properties are stored inside the class (e.g. More...

bool	default_materials
	If the default materials are used in the layer, this will be set to true. More...

std::string	catalyst_type
	Catalyst type from input file. More...

std::string	catalyst_support_type
	Catalyst Support type from input file. More...

std::string	electrolyte_type
	Electrolyte type from input file. More...

std::string	kinetics_type
	Kinetic class type from input file. More...

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

boost::shared_ptr < FuelCellShop::Material::PolymerElectrolyteBase >	electrolyte
	Pointer to the electrolyte object created in the application that is used to calculate the properties of the electrolyte in the catalyst layer. More...

boost::shared_ptr < FuelCellShop::Material::CatalystSupportBase >	catalyst_support
	Pointer to the catalyst support object created in the application that is used to calculate the carbon black conductivity in the catalyst layer. More...

boost::shared_ptr < FuelCellShop::Material::CatalystBase >	catalyst
	Pointer to the catalyst object created in the application that is used to store the properties of the catalyst used in the layer. More...

boost::shared_ptr < FuelCellShop::Kinetics::BaseKinetics >	kinetics
	Pointer to a kinetics object. More...

unsigned int	n_quad
	Stores the number of quadrature points in the cell. More...

std::map< VariableNames,SolutionVariable >	solutions
	Map storing solution variables. More...

VariableNames	reactant
	Name of the reactant which is being solved for in the catalyst layer. 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...

Static Protected Attributes
Instance Delivery (Prototype)
static MultiScaleCL< dim > const *	PROTOTYPE

Accessors and info
enum	Properties { void_fraction =0, solid_fraction, ionomer_fraction, active_area_scaled, pressure, cell_id }

virtual void	current_density (std::vector< double > &current)
	This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point. More...

virtual void	current_density (std::vector< double > &current, std::vector< double > &effectiveness)
	This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point. More...

virtual void	derivative_current_density (std::map< VariableNames, std::vector< double > > &)
	This member function will use a FuelCellShop::Kinetics class in order to compute the derivative of the current density with respect to the variables setup in set_derivative_flags (std::vector< std::string > &flags) More...

virtual void	print_layer_properties () const
	Print out composition and micro-structural properties of the catalyst layer. More...

template<typename T >
boost::shared_ptr< T >	get_resource ()

std::map< Properties, double >	get_properties ()

virtual SolutionMap	get_coverages ()
	Method for getting coverages from micro scale objects Overloaded here since kinetics cannot be used directly. More...

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

static boost::shared_ptr < FuelCellShop::Layer::CatalystLayer < dim > >	create_CatalystLayer (const std::string &cl_section_name, ParameterHandler &param)
	Function used to select the appropriate CatalystLayer type as specified in the ParameterHandler under line. More...

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

Static Protected Member Functions inherited from FuelCellShop::Layer::CatalystLayer< 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::MultiScaleCL< dim >

This class characterizes a catalyst layer and uses this information to compute effective transport properties and interfacial areas for phase change or electrochemical reactions.

Author: M. Secanell, 2009-13; P. Dobson, 2009-11; M. Moore, 2010-12; M. Bhaiya, 2011-13; P. Wardlaw, 2012-14

Member Enumeration Documentation

template<int dim>

enum FuelCellShop::Layer::MultiScaleCL::Properties

Enumerator
void_fraction
solid_fraction
ionomer_fraction
active_area_scaled
pressure
cell_id

Constructor & Destructor Documentation

template<int dim>

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

Destructor.

template<int dim>

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

protected

Prototype Constructor.

template<int dim>

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

protected

Constructor.

Member Function Documentation

template<int dim>

void FuelCellShop::Layer::MultiScaleCL< dim >::compute_void_fraction ( )

protected

Compute porosity and volume fraction of solid and ionomer in the catalyst layer.

template<int dim>

virtual boost::shared_ptr<FuelCellShop::Layer::CatalystLayer<dim> > FuelCellShop::Layer::MultiScaleCL< dim >::create_replica ( const std::string & cl_section_name )

inlineprotectedvirtual

This member function is used to create an object of type gas diffusion layer.

Warning: This class MUST be redeclared in every child.

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

template<int dim>

virtual void FuelCellShop::Layer::MultiScaleCL< dim >::current_density ( std::vector< double > & current )

virtual

This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point.

If the current is averaged over the cell, the average current is assigned to each quadrature point in the cell.

Parameters

current is an empty vector to be filled with current density values. Will be resized to the size of the solution given in set_solution()

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

template<int dim>

virtual void FuelCellShop::Layer::MultiScaleCL< dim >::current_density	(	std::vector< double > &	current,
		std::vector< double > &	effectiveness
	)

virtual

This member function will use a FuelCellShop::Kinetics class in order to compute the current density production in the CL Returns the current density at each quadrature point.

If the current is averaged over the cell, the average current is assigned to each quadrature point in the cell.

Parameters

current	is an empty vector to be filled with current density values. Will be resized to the size of the solution given in set_solution()
effectiveness	is an empty vector to be filled with micro scale effectiveness values.

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

template<int dim>

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

inlineprotectedvirtual

Declare all necessary parameters in order to compute the coefficients.

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

Referenced by FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >::declare_parameters().

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template<int dim>

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

protectedvirtual

Constructor.

Constructor that also intialises the pointers to the catalyst, catalyst support and electrolyte objects. Declare parameters for a parameter file.

Parameters that can be declared are defined in:

* subsection Fuel cell data
*  (...)
*   subsection Cathode catalyst layer          <- This is the name of the CL subsection specified in cl_section_name
*     (...)
*     NOTE: Here you will need info on ConventionalCL since information from ConventionalCL is used for MultiScaleCL
*     (...)
*     subsection MultiScaleCL                 <- This is the subsection specified by concrete_name
*      set Average current in cell = false     # Decide whether to take the average current density in the cell
*     end
*   end
* end
* 

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

template<int dim>

virtual void FuelCellShop::Layer::MultiScaleCL< dim >::derivative_current_density ( std::map< VariableNames, std::vector< double > > & )

virtual

This member function will use a FuelCellShop::Kinetics class in order to compute the derivative of the current density with respect to the variables setup in set_derivative_flags (std::vector< std::string > &flags)

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

template<int dim>

virtual SolutionMap FuelCellShop::Layer::MultiScaleCL< dim >::get_coverages ( )

virtual

Method for getting coverages from micro scale objects Overloaded here since kinetics cannot be used directly.

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

template<int dim>

std::map<Properties, double> FuelCellShop::Layer::MultiScaleCL< dim >::get_properties ( )

inline

Referenced by FuelCellShop::MicroScale::WaterAgglomerate::aux_volume_fraction().

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template<int dim>

template<typename T >

boost::shared_ptr<T> FuelCellShop::Layer::MultiScaleCL< dim >::get_resource ( )

inline

template<int dim>

void FuelCellShop::Layer::MultiScaleCL< dim >::initialize ( ParameterHandler & param )

protectedvirtual

Member function used to read in data and initialize the necessary data to compute the coefficients.

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

template<int dim>

void FuelCellShop::Layer::MultiScaleCL< dim >::initialize_micro_scale ( ParameterHandler & param )

protected

Creates the microscale objects populating the microscale object.

template<int dim>

SolutionMap FuelCellShop::Layer::MultiScaleCL< dim >::micro_scale_current	(	std::map< VariableNames, SolutionVariable > &	solutionMap,
		const unsigned int &	sol_index,
		const unsigned int &	thread_index
	)

protected

Private member functions for solving current density given an microscale.

template<int dim>

virtual void FuelCellShop::Layer::MultiScaleCL< dim >::print_layer_properties ( ) const

virtual

Print out composition and micro-structural properties of the catalyst layer.

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

template<int dim>

virtual void FuelCellShop::Layer::MultiScaleCL< dim >::set_cell_id ( const unsigned int & id )

inlinevirtual

Function for setting current cell_id from applications.

Parameters

unsigned int id is the id of the current cell from the application's perspective

Note
Reimplemented here as cell_id is needed for poly disperse agglomerates

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

template<int dim>

void FuelCellShop::Layer::MultiScaleCL< dim >::solve_current_derivatives_at_each_node ( std::map< VariableNames, std::vector< double > > & Dcurrent )

protected

Private member functions for solving for current derivatives in a per node approach.

template<int dim>

void FuelCellShop::Layer::MultiScaleCL< dim >::solve_current_derivatives_average ( std::map< VariableNames, std::vector< double > > & Dcurrent )

protected

Private member functions for solving for current derivatives in an averaging approach.

Member Data Documentation

template<int dim>

bool FuelCellShop::Layer::MultiScaleCL< dim >::average_cell_current

protected

Boolean value to choose whether to average the current over the cell.

template<int dim>

unsigned int FuelCellShop::Layer::MultiScaleCL< dim >::cell_id_

protected

Referenced by FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >::get_properties(), and FuelCellShop::Layer::MultiScaleCL< deal_II_dimension >::set_cell_id().

template<int dim>

const std::string FuelCellShop::Layer::MultiScaleCL< 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 Catalyst layer type = DummyCL # <-here I select the type of object of type CatalystLayer
*    subsection DummyCL # <- this is the concrete_name for this class
*       set all info relevant to this object
*    end
* end
* 