cantera/Cantera/src/transport/SolidTransport.cpp

/**
 *  @file SolidTransport.cpp
 *   Definition file for the class SolidTransport, which handles transport
 *   of ions within solid phases
 *  (see \ref tranprops and \link Cantera::SolidTransport SolidTransport \endlink).
 */
/* $Author$
 * $Revision$
 * $Date$
 */

// Copyright 2008 California Institute of Technology


// turn off warnings under Windows
#ifdef WIN32
#pragma warning(disable:4786)
#pragma warning(disable:4503)
#endif

#include "ThermoPhase.h"
#include "SolidTransport.h"

#include "utilities.h"
#include <iostream>

using namespace std;

namespace Cantera {

  //====================================================================================================================
  SolidTransport::SolidTransport() :
    Transport() ,
    m_nmobile(0.0),
    m_Adiff(0),
    m_Ndiff(0),
    m_Ediff(0),
    m_sp(0),
    m_Alam(0),
    m_Nlam(0),
    m_Elam(0)
  {
  }
  //====================================================================================================================
  SolidTransport::~SolidTransport() 
  {
  } 
  //====================================================================================================================
  SolidTransport::SolidTransport(const SolidTransport &right) :
    Transport(),
    m_nmobile(0.0),
    m_Adiff(0),
    m_Ndiff(0),
    m_Ediff(0),
    m_sp(0),
    m_Alam(0),
    m_Nlam(0),
    m_Elam(0)
  {
    /*
     * Use the assignment operator to do the brunt
     * of the work for the copy construtor.
     */
    *this = right;
  }
  //====================================================================================================================
  SolidTransport& SolidTransport::operator=(const SolidTransport& b) 
  {
    if (&b != this) {
      return *this; 
    }
    Transport::operator=(b);

    m_nmobile =  b.m_nmobile; 
    m_Adiff = b.m_Adiff;
    m_Ndiff = b.m_Ndiff;
    m_Ediff = b.m_Ediff;
    m_sp = b.m_sp;
    m_Alam = b.m_Alam;
    m_Nlam = b.m_Nlam;
    m_Elam = b.m_Elam;
   
    return *this;
  }
  //====================================================================================================================
  Transport *SolidTransport::duplMyselfAsTransport() const 
  {
    SolidTransport* tr = new SolidTransport(*this); 
    return (dynamic_cast<Transport *>(tr));
  }
  //====================================================================================================================
  void SolidTransport::setParameters(const int n, const int k, const double* const p) {
    switch (n) {
            
    case 0:
      // set the Arrhenius parameters for the diffusion coefficient
      // of species k.
      m_sp.push_back(k);
      m_Adiff.push_back(p[0]);
      m_Ndiff.push_back(p[1]);
      m_Ediff.push_back(p[2]);
      m_nmobile = m_sp.size();
      break;

    case 1:
      // set the thermal conductivity Arrhenius parameters.
      m_Alam = p[0];
      m_Nlam = p[2];            
      m_Elam = p[2];            
      break;

    default:
      ;
    }

    m_work.resize(m_thermo->nSpecies());
  }
  //====================================================================================================================
  /*
   * Compute the mobilities of the species from the diffusion coefficients, 
   * using the Einstein relation.
   */
  void SolidTransport::getMobilities(doublereal* const mobil) {
    int k;
    getMixDiffCoeffs(mobil);
    doublereal t = m_thermo->temperature();
    int nsp = m_thermo->nSpecies();
    doublereal c1 = ElectronCharge / (Boltzmann * t);
    for (k = 0; k < nsp; k++) {
      mobil[k] *= c1 * fabs(m_thermo->charge(k));
    }
  } 
  //====================================================================================================================
  /*
   * Thermal Conductivity.
   * \f[
   * \lambda = A T^n \exp(-E/RT)
   * \f]
   */
  doublereal SolidTransport::thermalConductivity() {
    doublereal t = m_thermo->temperature();
    return m_Alam * pow(t, m_Nlam) * exp(-m_Elam/t);
  }
  //====================================================================================================================
  /*
   * 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.
   */
  void SolidTransport::getMixDiffCoeffs(doublereal* const d) {
    doublereal temp = m_thermo->temperature();
    int nsp = m_thermo->nSpecies();
    int k;
    for (k = 0; k < nsp; k++) d[k] = 0.0;
    for (k = 0; k < m_nmobile; k++) {
      d[m_sp[k]] = 
	m_Adiff[k] * pow(temp, m_Ndiff[k]) * exp(-m_Ediff[k]/temp);
    }
  }
  //====================================================================================================================
  doublereal SolidTransport::electricalConductivity()
  {
    getMobilities(&m_work[0]);
    int nsp = m_thermo->nSpecies();
    doublereal sum = 0.0;
    for (int k = 0; k < nsp; k++) {
      sum += m_thermo->charge(k) * m_thermo->moleFraction(k) * m_work[k];
    }
    return sum * m_thermo->molarDensity();
  }
  //====================================================================================================================
}