6d22be2a6b
Deprecated thermo classes: Adsorbate, MetalSHEelectrons, MineralEQ3, MolarityIonicVPSSTP, PhaseCombo_Interaction Deprecated kinetics classes: AqueousKinetics Deprecated transport classes: LTPSpecies, LiquidTranInteraction, LiquidTransport, LiquidTransportData, LiquidTransportParams, SimpleTransport, SolidTransport, SolidTransportData, Tortuosity See #267
132 lines
3.4 KiB
C++
132 lines
3.4 KiB
C++
/**
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* @file SolidTransport.cpp
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* Definition file for the class SolidTransport, which handles transport
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* of ions within solid phases
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* (see \ref tranprops and \link Cantera::SolidTransport SolidTransport \endlink).
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*/
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// This file is part of Cantera. See License.txt in the top-level directory or
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// at http://www.cantera.org/license.txt for license and copyright information.
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#include "cantera/transport/SolidTransport.h"
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#include "cantera/transport/SolidTransportData.h"
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using namespace std;
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namespace Cantera
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{
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SolidTransport::SolidTransport() :
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m_nmobile(0),
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m_Alam(-1.0),
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m_Nlam(0),
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m_Elam(0)
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{
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warn_deprecated("Class SolidTransport", "To be removed after Cantera 2.4");
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}
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bool SolidTransport::initSolid(SolidTransportData& tr)
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{
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m_thermo = tr.thermo;
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tr.thermo = 0;
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m_ionConductivity = tr.ionConductivity;
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tr.ionConductivity = 0;
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m_electConductivity = tr.electConductivity;
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tr.electConductivity = 0;
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m_thermalConductivity = tr.thermalConductivity;
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tr.thermalConductivity = 0;
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m_defectDiffusivity = tr.defectDiffusivity;
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tr.defectDiffusivity = 0;
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m_defectActivity = tr.defectActivity;
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tr.defectActivity = 0;
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return true;
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}
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void SolidTransport::setParameters(const int n, const int k, const doublereal* const p)
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{
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switch (n) {
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case 0:
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// set the Arrhenius parameters for the diffusion coefficient
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// of species k.
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m_sp.push_back(k);
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m_Adiff.push_back(p[0]);
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m_Ndiff.push_back(p[1]);
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m_Ediff.push_back(p[2]);
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m_nmobile = m_sp.size();
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break;
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case 1:
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// set the thermal conductivity Arrhenius parameters.
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m_Alam = p[0];
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m_Nlam = p[2];
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m_Elam = p[2];
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break;
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default:
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;
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}
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m_work.resize(m_thermo->nSpecies());
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}
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doublereal SolidTransport::ionConductivity()
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{
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// LTPspecies method
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return m_ionConductivity->getSpeciesTransProp();
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}
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doublereal SolidTransport::electricalConductivity()
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{
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if (m_nmobile == 0) {
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// LTPspecies method
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return m_electConductivity->getSpeciesTransProp();
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} else {
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getMobilities(&m_work[0]);
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doublereal sum = 0.0;
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for (size_t k = 0; k < m_thermo->nSpecies(); k++) {
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sum += m_thermo->charge(k) * m_thermo->moleFraction(k) * m_work[k];
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}
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return sum * m_thermo->molarDensity();
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}
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}
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/****************** thermalConductivity ******************************/
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doublereal SolidTransport::thermalConductivity()
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{
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if (m_Alam > 0.0) {
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//legacy test case?
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doublereal t = m_thermo->temperature();
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return m_Alam * pow(t, m_Nlam) * exp(-m_Elam/t);
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} else {
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// LTPspecies method
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return m_thermalConductivity->getSpeciesTransProp();
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}
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}
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doublereal SolidTransport::defectDiffusivity()
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{
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// LTPspecies method
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return m_defectDiffusivity->getSpeciesTransProp();
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}
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doublereal SolidTransport::defectActivity()
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{
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// LTPspecies method
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return m_defectActivity->getSpeciesTransProp();
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}
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void SolidTransport::getMobilities(doublereal* const mobil)
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{
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getMixDiffCoeffs(mobil);
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doublereal t = m_thermo->temperature();
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doublereal c1 = ElectronCharge / (Boltzmann * t);
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for (size_t k = 0; k < m_thermo->nSpecies(); k++) {
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mobil[k] *= c1;
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}
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}
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void SolidTransport::getMixDiffCoeffs(doublereal* const d)
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{
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for (size_t k = 0; k < m_thermo->nSpecies(); k++) {
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d[k] = 0.0;
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}
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}
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}
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