tafel_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 Tafel Kinetics model class.
//    - Developers: M. Moore, M. Bhaiya, M. Secanell and V. Zingan
//
//---------------------------------------------------------------------------

#ifndef _FUELCELLSHOP__TAFEL_KINETICS_H
#define _FUELCELLSHOP__TAFEL_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 TafelKinetics
        :
        public BaseKinetics
        {
        public:



            TafelKinetics();

            TafelKinetics(const bool);

            ~TafelKinetics();

            virtual void declare_parameters(ParameterHandler& param) const;

            virtual void initialize(ParameterHandler& param);




            static const std::string concrete_name;



            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::TafelKinetics ( ));
            }
            static TafelKinetics const* PROTOTYPE;



            virtual void init_kin_param()
            {
                Assert( !kin_param_initialized, ExcInternalError() );
                Assert( catalyst != NULL, ExcMessage("Catalyst object not initialized in the TafelKinetics 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 TafelKinetics object.") );
                Assert( reactants_map.size()>0, ExcMessage("At least one reactant should be set in the TafelKinetics 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);

                kin_param_initialized = true;
            }
            inline double negative_concentration_correction(double concentration, double gamma, bool derivative = true) const
            {
                double correction(1.0);

                if (concentration < 0.0)
                {
                    if ( !derivative )
                        correction = -1.0;
                    else if (derivative && (gamma == 1.0 || gamma == 3.0 || gamma == 5.0) )
                        correction = 1.0; // <-- Note: 1.0 works well with gamma = 1.0 since (gamma-1) is zero, i.e. sign of derivative independent of concentration.
                    else if (derivative && ( (gamma != 1.0) || (gamma != 3.0) || (gamma != 5.0) ) )
                        correction = -1.0;
                }

                return correction;
            }
            double alpha_c;

            std::map< VariableNames, double > ref_conc;

            std::map< VariableNames, double > gamma;

        };

    } //Kinetics

} //FuelCellShop

#endif //_FUELCELLSHOP__TAFEL_KINETICS_H