dual_path_kinetics.h

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//---------------------------------------------------------------------------
//
//    FCST: Fuel Cell Simulation Toolbox
//
//    Copyright (C) 2006-13 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: dual_path_kinetics.h
//    - Description:  Dual Path Kinetics model for hydrogen oxidation reaction
//    - Developers: M. Secanell, M. Moore and Madhur Bhaiya
//    - $Id: dual_path_kinetics.h 1373 2013-08-21 00:34:53Z madhur $
//
//---------------------------------------------------------------------------

#ifndef _FUELCELLSHOP__DUAL_PATH_KINETICS_H
#define _FUELCELLSHOP__DUAL_PATH_KINETICS_H

// Include OpenFCST routines:
#include "base_kinetics.h"

// Include deal.II classes
#include <base/parameter_handler.h>
#include <base/point.h>
#include <base/function.h>
#include <lac/vector.h>
#include <fe/fe_values.h>

//Include STL
#include<cmath>
#include<iostream>

using namespace dealii;

namespace FuelCellShop
{
    namespace Kinetics
    {
        class DualPathKinetics : 
        public  BaseKinetics
        {
        public:


            static const std::string concrete_name;         
            


            virtual void set_reaction_kinetics(const std::string& name)
            {
                if (name == "HOR")
                    name_reaction_kinetics = name;

                else
                {
                    const std::type_info& info = typeid(*this);
                    deallog << "Only HOR reaction is to be implemented in " << __FUNCTION__ << " called in Class " << info.name()  << std::endl;
                    exit(1);
                }
            }
            


            virtual void current_density (std::vector<double>&);
            
            virtual void derivative_current (std::map< VariableNames, std::vector<double> >&);
            
            


            DualPathKinetics();
            
            DualPathKinetics(const bool);
            
            ~DualPathKinetics();
            
            virtual void declare_parameters(ParameterHandler &param) const;
            
            virtual void set_parameters(const std::vector<std::string>&,
                                const std::vector<double>&,
                                ParameterHandler&) const{};
            
            virtual void initialize(ParameterHandler &param);
                                
        protected: 


            virtual boost::shared_ptr<FuelCellShop::Kinetics::BaseKinetics > create_replica ()
            {
                return boost::shared_ptr<FuelCellShop::Kinetics::BaseKinetics > (new FuelCellShop::Kinetics::DualPathKinetics ( ));
            }
            static DualPathKinetics const* PROTOTYPE;


            
            virtual void init_kin_param()
            {
                Assert( !kin_param_initialized, ExcInternalError() );
                Assert( catalyst != NULL, ExcMessage("Catalyst object not initialized in the DualPathKinetics object.") );
                Assert( catalyst->get_reaction_name() == "HOR", ExcMessage("Catalyst object in the DualPathKinetics not set to HOR reaction name.") );
                Assert( phi_m.is_initialized() && phi_s.is_initialized() && T.is_initialized(), ExcMessage("Either phi_m/phi_s/T is not set in the DualPathKinetics object.") );
                Assert( reactants_map.find(hydrogen_concentration) != reactants_map.end(), ExcMessage("Hydrogen concentration is not set in the DualPathKinetics object.") );

                std::vector<VariableNames> names(1, hydrogen_concentration);
                std::map< VariableNames, double > cref_map;
                catalyst->reference_concentration(names, cref_map);
                ref_conc_H2 = cref_map[hydrogen_concentration];
                
                kin_param_initialized = true;
            }
            
            double ref_conc_H2;
            
            double j_0T;
            
            double j_0H;
            
            double potential_constant;
            
            double ref_potential;
            
            
            
        };
        
    } //Kinetics 
    
} //FuelCellShop

#endif //_FUELCELLSHOP__DUAL_PATH_KINETICS_H