bv_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: tafel_kinetics.h
//    - Description: Header file for Butler-Volmer Kinetics model class.
//    - Developers: M. Secanell, M. Moore and M. Bhaiya
//    - $Id: bv_kinetics.h 2605 2014-08-15 03:36:44Z secanell $
//
//---------------------------------------------------------------------------

#ifndef _FUELCELLSHOP__BV_KINETICS_H
#define _FUELCELLSHOP__BV_KINETICS_H

// Include openFCST routines:
#include <reactions/base_kinetics.h>
#include <utils/fcst_constants.h>

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

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

using namespace dealii;

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


            static const std::string concrete_name;         
            
            ButlerVolmerKinetics();
            
            ButlerVolmerKinetics(const bool);
            
            ~ButlerVolmerKinetics();
            
            virtual void declare_parameters(ParameterHandler&) const{};
            
            virtual void initialize(ParameterHandler&){};



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


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


            virtual void init_kin_param()
            {
                Assert( !kin_param_initialized, ExcInternalError() );
                Assert( catalyst != NULL, ExcMessage("Catalyst object not initialized in the ButlerVolmerKinetics object.") );
                Assert( phi_m.is_initialized() && phi_s.is_initialized() && T.is_initialized(), ExcMessage("Either phi_m/phi_s/T is not set in the ButlerVolmerKinetics object.") );
                Assert( reactants_map.size()>0, ExcMessage("Atleast one reactant should be set in the ButlerVolmerKinetics object, using set_reactant_concentrations method.") );
                
                std::vector<VariableNames> names;
                for ( std::map< VariableNames, SolutionVariable >::const_iterator iter=reactants_map.begin(); iter!=reactants_map.end(); ++iter )
                    names.push_back(iter->first);
                
                catalyst->reference_concentration(names, ref_conc);
                catalyst->reaction_order(names, gamma);
                catalyst->alpha_cathodic(alpha_c);
                catalyst->alpha_anodic(alpha_a);
                
                kin_param_initialized = true;
            }
            
            double alpha_c;
            
            double alpha_a;
            
            std::map< VariableNames, double > ref_conc;
            
            std::map< VariableNames, double > gamma;
        };
    } //Kinetics 
} //FuelCellShop

#endif //_FUELCELLSHOP__BV_KINETICS_H