SolidTransport.h

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/**
 *  @file SolidTransport.h
 *   Header file for defining the class SolidTransport, which handles transport
 *   of ions within solid phases
 *  (see \ref tranprops and \link Cantera::SolidTransport SolidTransport \endlink).
 */

// This file is part of Cantera. See License.txt in the top-level directory or
// at http://www.cantera.org/license.txt for license and copyright information.

#ifndef CT_SOLIDTRAN_H
#define CT_SOLIDTRAN_H

#include "LTPspecies.h"
#include "TransportBase.h"

namespace Cantera
{
//! Class SolidTransport implements transport properties for solids.
//! @ingroup tranprops
/*!
 * @attention This class currently does not have any test cases or examples. Its
 *     implementation may be incomplete, and future changes to Cantera may
 *     unexpectedly cause this class to stop working. If you use this class,
 *     please consider contributing examples or test cases. In the absence of
 *     new tests or examples, this class may be deprecated and removed in a
 *     future version of Cantera. See
 *     https://github.com/Cantera/cantera/issues/267 for additional information.
 */
class SolidTransport : public Transport
{
public:
    SolidTransport();
    SolidTransport(const SolidTransport& right);
    SolidTransport& operator=(const SolidTransport& right);
    virtual Transport* duplMyselfAsTransport() const;

    virtual int model() const {
        warn_deprecated("SolidTransport::model",
                        "To be removed after Cantera 2.3.");
        return cSolidTransport;
    }

    virtual std::string transportType() const {
        return "Solid";
    }

    //! Returns the ionic conductivity of the phase
    /*!
     * The thermo phase needs to be updated (temperature) prior to calling this.
     * The ionConductivity calculation is handled by subclasses of LTPspecies as
     * specified in the input file.
     */
    virtual doublereal ionConductivity();

    //! Returns the thermal conductivity of the phase
    /*!
     * The thermo phase needs to be updated (temperature) prior to calling this.
     * The thermalConductivity calculation is handled by subclasses of
     * LTPspecies as specified in the input file.
     *
     * There is also a legacy method to evaluate
     * \f[
     *     \lambda = A T^n \exp(-E/RT)
     * \f]
     */
    virtual doublereal thermalConductivity();

    //! Returns the electron conductivity of the phase
    /*!
     * The thermo phase needs to be updated (temperature) prior to calling
     * this. The ionConductivity calculation is handled by subclasses of
     * LTPspecies as specified in the input file.
     *
     * There is also a legacy multicomponent diffusion approach to electrical
     * conductivity.
     */
    virtual doublereal electricalConductivity();

    /*!
     * The diffusivity of defects in the solid (m^2/s). The thermo phase needs
     * to be updated (temperature) prior to calling this. The defectDiffusivity
     * calculation is handled by subclasses of LTPspecies as specified in the
     * input file.
     */
    virtual doublereal defectDiffusivity();

    /**
     * The activity of defects in the solid. At some point this should be
     * variable and the diffusion coefficient should depend on it.
     *
     * The thermo phase needs to be updated (temperature) prior to calling this.
     * The defectActivity calculation is handled by subclasses of
     * LTPspecies as specified in the input file.
     */
    virtual doublereal defectActivity();

    /*
     * The diffusion coefficients are computed from
     *
     * \f[
     *     D_k = A_k T^{n_k} \exp(-E_k/RT).
     * \f]
     *
     * The diffusion coefficients are only non-zero for species for which
     * parameters have been specified using method setParameters.
     *  @todo HEWSON WONDERS IF THE FOLLOWING ARE RELEVANT??
     */
    virtual void getMixDiffCoeffs(doublereal* const d);

    virtual void getMobilities(doublereal* const mobil);

    //! @deprecated
    virtual void setParameters(const int n, const int k, const doublereal* const p);

    friend class TransportFactory;

protected:
    //! Initialize the transport object
    /*!
     * Here we change all of the internal dimensions to be sufficient. We get
     * the object ready to do property evaluations. A lot of the input
     * required to do property evaluations is contained in the
     * SolidTransportParams class that is filled in TransportFactory.
     *
     * @param tr  Transport parameters for all of the species in the phase.
     */
    virtual bool initSolid(SolidTransportData& tr);

private:
    //! Model type for the ionic conductivity
    LTPspecies* m_ionConductivity;

    //! Model type for the thermal conductivity
    LTPspecies* m_thermalConductivity;

    //! Model type for the electrical conductivity
    LTPspecies* m_electConductivity;

    //! Model type for the defectDiffusivity -- or more like a defect
    //! diffusivity in the context of the solid phase.
    LTPspecies* m_defectDiffusivity;

    //! Model type for the defectActivity
    LTPspecies* m_defectActivity;

    //! number of mobile species
    size_t m_nmobile;

    //! Coefficient for the diffusivity of species within a solid
    /*!
     *  This is with respect to the lattice
     *  units = m**2 / s
     *  vector of length m_nmobile
     */
    vector_fp m_Adiff;

    //! Temperature power coefficient for the diffusivity of species in a solid
    /*!
     *  vector of length m_nmobile
     */
    vector_fp m_Ndiff;

    //! Arrhenius factor for the species diffusivities of a solid
    /*!
     *  units = temperature
     *  vector of length m_nmobile
     */
    vector_fp m_Ediff;

    //! Index of mobile species to global species
    /*!
     *  vector of length m_nmobile
     */
    vector_int m_sp;

    //! Coefficient for the thermal conductivity of a solid
    /*!
     *  units = kg m / s3 /K   = W/m/K
     */
    doublereal m_Alam;

    //! Temperature power coefficient for the thermal conductivity of a solid
    doublereal m_Nlam;

    //! Arrhenius factor for the thermal conductivity of a solid
    /*!
     *  units = temperature
     */
    doublereal m_Elam;

    //! extra fp array of length nSpecies()
    vector_fp m_work;
};
}
#endif