ficks_transport_equation.h

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//---------------------------------------------------------------------------
//
//    FCST: Fuel Cell Simulation Toolbox
//
//    Copyright (C) 2013 by Energy Systems Design Laboratory, University of Alberta
//
//    This software is distributed under the MIT License.
//    For more information, see the README file in /doc/LICENSE
//
//    - Class: ficks_transport_equation.h
//    - Description: Header file of Ficks diffusion equation class.
//    - Developers: M. Secanell, M. Bhaiya, V. N. Zingan, A. Kosakian, M. Sabharwal
//
//---------------------------------------------------------------------------

#ifndef _FCST_FUELCELLSHOP_EQUATION_NEW_FICKS_EQUATION_H_
#define _FCST_FUELCELLSHOP_EQUATION_NEW_FICKS_EQUATION_H_

// FCST includes
#include <utils/fcst_units.h>
#include <utils/fcst_constants.h>
#include <equations/equation_base.h>
#include <layers/gas_diffusion_layer.h>
#include <layers/micro_porous_layer.h>
#include <layers/catalyst_layer.h>
#include <equations/equation_auxiliaries.h>

// STD
#include <sstream>
#include <string>


namespace FuelCellShop
{
    namespace Equation
    {
        template<int dim>
        class FicksTransportEquation
        :
        public EquationBase<dim>
        {
        public:


            FicksTransportEquation(FuelCell::SystemManagement& system_management,
                                      FuelCellShop::Material::PureGas* solute,
                                      FuelCellShop::Material::PureGas* solvent,
                                      boost::shared_ptr< FuelCell::ApplicationCore::ApplicationData > data = boost::shared_ptr< FuelCell::ApplicationCore::ApplicationData >()
                                     );

            FicksTransportEquation(FuelCell::SystemManagement& system_management, std::string& name_section, boost::shared_ptr< FuelCell::ApplicationCore::ApplicationData > data = boost::shared_ptr< FuelCell::ApplicationCore::ApplicationData >());

            virtual ~FicksTransportEquation();

            virtual void declare_parameters(ParameterHandler& param);

            virtual void initialize(ParameterHandler& param);

            inline void set_solute_and_solvent( FuelCellShop::Material::PureGas* solute, FuelCellShop::Material::PureGas* solvent, ParameterHandler& param )
            {
                this->gas = solute;
                this->solvent = solvent;

                std::stringstream s;
                s <<"Ficks Transport Equation - "<<gas->name_material();
                this->equation_name = s.str();

                std::stringstream ss;
                ss <<gas->name_material()<<"_molar_fraction";
                this->name_base_variable = ss.str();
            }




            
            virtual void assemble_cell_residual(FuelCell::ApplicationCore::FEVector&                                     cell_rhs,
                                                const typename FuelCell::ApplicationCore::DoFApplication<dim>::CellInfo& cell_info,
                                                FuelCellShop::Layer::BaseLayer<dim>* const                               layer
                                               );            
            
            virtual void assemble_bdry_matrix(FuelCell::ApplicationCore::MatrixVector&                                 bdry_matrices,
                                              const typename FuelCell::ApplicationCore::DoFApplication<dim>::FaceInfo& bdry_info,
                                              FuelCellShop::Layer::BaseLayer<dim>* const                               layer
                                             );

            virtual void assemble_bdry_residual(FuelCell::ApplicationCore::FEVector&                                     bdry_rhs,
                                                const typename FuelCell::ApplicationCore::DoFApplication<dim>::FaceInfo& bdry_info,
                                                FuelCellShop::Layer::BaseLayer<dim>* const                               layer
                                               );




            virtual void print_equation_info() const;

            void class_test();
            
            double compute_Knudsen_diffusivity(int cell_index);
            
            Tensor<2,dim,double> effective_diffusion_coefficient(Tensor<2,dim,double>& D_bulk,
                                                                        double D_Knud);

        protected:


            double compute_current(double x_gas);
            
            double get_ICCP_residual(double c_react, double c_eq);
            


            void assemble_cell_linear_matrix(FuelCell::ApplicationCore::MatrixVector& cell_matrices,
                                             const typename FuelCell::ApplicationCore::DoFApplication<dim>::CellInfo& cell_info,
                                             FuelCellShop::Layer::BaseLayer<dim>* const layer );
            
            void assemble_cell_Jacobian_matrix(FuelCell::ApplicationCore::MatrixVector&                                 cell_matrices,
                                               const typename FuelCell::ApplicationCore::DoFApplication<dim>::CellInfo& cell_info,
                                               FuelCellShop::Layer::BaseLayer<dim>* const                               layer );
                    
            


             std::vector<unsigned int> dirichlet_bdry_ids;

             std::map<unsigned int, double> species_flux;



            virtual void make_assemblers_generic_constant_data();

            virtual void make_assemblers_cell_constant_data(const typename FuelCell::ApplicationCore::DoFApplication<dim>::CellInfo& cell_info);

            virtual void make_assemblers_bdry_constant_data(const typename FuelCell::ApplicationCore::DoFApplication<dim>::FaceInfo& bdry_info);

            virtual void make_assemblers_cell_variable_data(const typename FuelCell::ApplicationCore::DoFApplication<dim>::CellInfo& cell_info,
                                                            FuelCellShop::Layer::BaseLayer<dim>* const layer);

            virtual void make_assemblers_bdry_variable_data(const typename FuelCell::ApplicationCore::DoFApplication<dim>::FaceInfo& bdry_info,
                                                            FuelCellShop::Layer::BaseLayer<dim>* const layer);




            virtual void make_internal_cell_couplings();

            virtual void make_boundary_types();




            FuelCellShop::Material::PureGas* gas;

            FuelCellShop::Material::PureGas* solvent;

            VariableInfo xi;

            VariableInfo t_rev;

            VariableInfo s_liquid_water;
            
            VariableInfo p_liquid_water;



            
            std::vector< Tensor< 2, dim > > conc_Deff_cell;

            std::vector< Tensor<2,dim> > dconc_Deff_dT_cell;

            std::vector< Tensor<2,dim> > dconc_Deff_ds_cell;
            
            
            std::vector< Tensor<2,dim> > dconc_Deff_dp_cell;

            std::vector< std::vector< double > >  phi_xi_cell;
            
            std::vector< std::vector< Tensor<1,dim> > > grad_phi_xi_cell;

            std::vector< std::vector< double > > phi_T_cell;

            std::vector< std::vector< double > > phi_s_cell;
            
            std::vector< std::vector< double > > phi_p_cell;




            std::vector< std::vector<double> > phi_xi_bdry;

            
            unsigned int last_iter_cell;

            unsigned int last_iter_bdry;
            

            
        private:
            
            boost::shared_ptr<FuelCellShop::Kinetics::BaseKinetics> kinetics;
            
            boost::shared_ptr<FuelCellShop::Material::PolymerElectrolyteBase> electrolyte;
            
            boost::shared_ptr<FuelCellShop::Material::CatalystBase> catalyst;
            
            double concentration;
            
            double electronic_pot;
            
            double protonic_pot;
            
            double temperature;
            
            double k_ionomer;
            
            double delta;
            
            double prefactor;
            
    };

} // Equation

} // FuelCellShop

#endif