agglomerate_water_1D.h

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//---------------------------------------------------------------------------
// C++ Interface: agglomerate_water_1D.h
//
// Description: Used to solve a system of equations representing a
//                      spherical water-filled agglomerate.
//
// Author: Peter Dobson <pdobson@ualberta.ca>, (C) 2011
//             Philip Wardlaw,
//         University of Alberta
//
// Copyright: See COPYING file that comes with this distribution
//
//---------------------------------------------------------------------------

#ifndef FUEL_CELL__WATER_AGGLOMERATE_1D__H
#define FUEL_CELL__WATER_AGGLOMERATE_1D__H

//------------------------------
// STD LIBRARY DECLARATIONS
//------------------------------


//------------------------------
// DEAL.II DECLARATIONS
//------------------------------


//------------------------------
// FUEL CELL DECLARATIONS
//------------------------------

#include <microscale/numerical_agglomerate_base.h>
#include <contribs/DAE_wrapper.h>

//Liquid water
#include <materials/PureLiquid.h>


namespace FuelCellShop
{
namespace MicroScale
{

class WaterAgglomerate : public NumericalAgglomerateBase, public FuelCell::ApplicationCore::DAEWrapper
{
public:



    static const std::string concrete_name;



    virtual SolutionMap compute_current ( );


    virtual std::string get_name(){
            return concrete_name;
    }

    virtual double aux_volume_fraction(){


        typedef FuelCellShop::Layer::MultiScaleCL<deal_II_dimension>::Properties Props;
        std::map<Props, double> p = this->layer->get_properties();

        return p[Props::solid_fraction]*epsilon_agg/(1-epsilon_agg);

    }




protected:

    int cont_tolerance (double start_tol, double end_tol);

    int cont_cd ();

    void setup_DAE_solver ();


    /*
     * Virtual function for returning film thickness in nano meters.
     *
     */
    virtual double get_film_thickness(){
            return delta_agg*1e7;
        }

    /*
     * Virtual function for returning agglomerate radius in nano meters.
     *
     */
    virtual double get_radius(){
        return r_agg*1e7;
    }

    void set_structure ( );

    WaterAgglomerate ( int verbose = 1 );
    WaterAgglomerate (std::string concrete_name);


    /*
     * Protected virtual member function for declaring parameters
     *
     *
     *
     */
    virtual void declare_parameters (ParameterHandler &param) const
    {
        NumericalAgglomerateBase::declare_parameters(param);
        water.declare_parameters(param);
        param.enter_subsection(concrete_name);{

            param.declare_entry("Relative core charge factor", "0.0", Patterns::Double(0.0,1.0),
                    "Factor dictating the amount of negative charged ions existing in the "
                    "water filled core. Fraction of film sulphonic concentration.");
        }
        param.leave_subsection();

    }

    /*
     * Protected virtual member function for initializing parameters
     */
    virtual void initialize (ParameterHandler &param)
    {
        NumericalAgglomerateBase::initialize(param);
        water.initialize(param);
        param.enter_subsection(concrete_name);{

            core_charge_factor = param.get_double("Relative core charge factor");
        }
        param.leave_subsection();


    }


    double compute_thickness_agg ();

    virtual double compute_epsilon_agg ();



    static WaterAgglomerate const* PROTOTYPE;

    virtual boost::shared_ptr<FuelCellShop::MicroScale::MicroScaleBase> create_replica ()
    {
        return boost::shared_ptr<FuelCellShop::MicroScale::MicroScaleBase> (new FuelCellShop::MicroScale::WaterAgglomerate());
    }


    void fsub ( double &, double [], double [], double [] );

    static void fsub_wrapper ( double &, double [], double [], double [] );

    void dfsub ( double &, double [], double [], double [] );

    static void dfsub_wrapper ( double &, double [], double [], double [] );

    void gsub ( int &, double [], double & );

    static void gsub_wrapper ( int &, double [], double & );

    void dgsub ( int &, double [], double [] );

    static void dgsub_wrapper ( int &, double [], double [] );

    void guess ( double &, double [], double [], double [] );

    static void guess_wrapper ( double &, double [], double [], double [] );



    FuelCellShop::Material::LiquidWater water;

    // Transport Parameters
    double D_H_NAF;
    double D_H_Water;

    double D_O2_N;
    double DO2_Water;

    double HO2N;

    /*Permitivity and charge characteristics of the core*/
    double rel_permittivity_water;
    double rel_permittivity_Naf;
    double core_charge_factor;

    std::vector<std::string> derivative_flags;

    double H_tol;

    //Continuation variables
    double lambda;
    double lambda2;
    

};

}//namespace Layer
}//namespace FuelCellShop

#endif