include/cantera/transport/ConstantTransport.h

@@ -1,52 +0,0 @@
-/**
- *  @file ConstantTransport.h
- *    Headers for the ConstantTransport object, which models transport
- *    properties in ideal gas solutions using the unity Lewis number
- *    approximation
- *    (see \ref tranprops and \link Cantera::ConstantTransport ConstantTransport \endlink) .
- */
-
-// This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
-
-#ifndef CT_CONSTANTTRAN_H
-#define CT_CONSTANTTRAN_H
-
-#include "MixTransport.h"
-
-namespace Cantera
-{
-//! Class ConstantTransport implements the unity Lewis number approximation
-//! for the mixture-averaged species diffusion coefficients. Mixture-averaged
-//! transport properties for viscosity and thermal conductivity are inherited
-//! from the MixTransport class.
-//! @ingroup tranprops
-class ConstantTransport : public MixTransport
-{
-public:
-    //! Default constructor.
-    ConstantTransport();
-
-    virtual std::string transportType() const {
-        return "Constant";
-    }
-
-    //! Update the internal parameters whenever the temperature has changed
-    /*!
-     * This is called whenever a transport property is requested if the
-     * temperature has changed since the last call to update_T().
-     */
-    virtual void update_T();
-
-    virtual void init(thermo_t* thermo, int mode=0, int log_level=0);
-
-protected:
-    //! Reference temperature at which binary diffusivities are calculated
-    /*!
-     *  Units = K
-     */
-    doublereal m_reftemp;
-
-};
-}
-#endif

include/cantera/transport/TurbulentTransport.h

@@ -1,121 +0,0 @@
-/**
- *  @file TurbulentTransport.h
- *    Headers for the TurbulentTransport object, which models transport
- *    properties in ideal gas solutions using the unity Lewis number
- *    approximation
- *    (see \ref tranprops and \link Cantera::TurbulentTransport TurbulentTransport \endlink) .
- */
-
-// This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
-
-#ifndef CT_TURBULENTTRAN_H
-#define CT_TURBULENTTRAN_H
-
-#include "MixTransport.h"
-
-namespace Cantera
-{
-//! Class TurbulentTransport implements the unity Lewis number approximation
-//! for the mixture-averaged species diffusion coefficients. Mixture-averaged
-//! transport properties for viscosity and thermal conductivity are inherited
-//! from the MixTransport class.
-//! @ingroup tranprops
-class TurbulentTransport : public MixTransport
-{
-public:
-    TurbulentTransport();
-
-    virtual std::string transportType() const {
-        return "Turbulent";
-    }
-
-    virtual void init(thermo_t* thermo, int mode=0, int log_level=0);
-
-    //! Returns the mixture thermal conductivity (W/m /K)
-    /*!
-     * The thermal conductivity is computed from the following mixture rule:
-     * \f[
-     *     \lambda = 0.5 \left( \sum_k X_k \lambda_k  + \frac{1}{\sum_k X_k/\lambda_k} \right)
-     * \f]
-     *
-     * It's used to compute the flux of energy due to a thermal gradient
-     *
-     * \f[
-     *     j_T =  - \lambda  \nabla T
-     * \f]
-     *
-     * The flux of energy has units of energy (kg m2 /s2) per second per area.
-     *
-     * The units of lambda are W / m K which is equivalent to kg m / s^3 K.
-     *
-     * @returns the mixture thermal conductivity, with units of W/m/K
-     */
-    virtual doublereal thermalConductivity();
-
-    //! Returns the unity Lewis number approximation based diffusion
-    //! coefficients [m^2/s].
-    /*!
-     * Returns the unity Lewis number approximation based diffusion coefficients
-     * for a gas, appropriate for calculating the mass averaged diffusive flux
-     * with respect to the mass averaged velocity using gradients of the mole
-     * fraction.
-     *
-     * \f[
-     *     D^\prime_{km} = \frac{\lambda}{\rho c_p}
-     * \f]
-     *
-     * In order to obtain the expected behavior from a unity Lewis number model,
-     * this formulation requires that the correction velocity be computed as
-     *
-     * \f[
-     *     V_c = \sum \frac{W_k}{\overline{W}} D^\prime_{km} \nabla X_k
-     * \f]
-     *
-     * @param[out] d  Vector of diffusion coefficients for each species (m^2/s).
-     * length m_nsp.
-     */
-    virtual void getMixDiffCoeffs(double* const d) {
-        GasTransport::getMixDiffCoeffs(d);
-
-        for (size_t k = 0; k < m_nsp; k++) {
-            d[k] += m_turbmodifier;
-        }
-    }
-
-    //! Not implemented for unity Lewis number approximation
-    virtual void getMixDiffCoeffsMole(double* const d){
-        throw NotImplementedError("TurbulentTransport::getMixDiffCoeffsMole");
-    }
-
-    //! Returns the unity Lewis number approximation based diffusion
-    //! coefficients [m^2/s].
-    /*!
-     * These are the coefficients for calculating the diffusive mass fluxes
-     * from the species mass fraction gradients, computed as
-     *
-     * \f[
-     *     D_{km} = \frac{\lambda}{\rho c_p}
-     * \f]
-     *
-     * @param[out] d  Vector of diffusion coefficients for each species (m^2/s).
-     * length m_nsp.
-     */
-    virtual void getMixDiffCoeffsMass(double* const d){
-        GasTransport::getMixDiffCoeffsMass(d);
-
-        for (size_t k = 0; k < m_nsp; k++) {
-            d[k] += m_turbmodifier;
-        }
-    }
-
-protected:
-
-    //! Internal storage for weights to calculate mean diffusivity
-    doublereal m_turbmodifier;
-    doublereal m_profwidth;
-    doublereal m_rdlayerstart;
-
-};
-}
-#endif

include/cantera/transport/WmeanTransport.h

@@ -1,106 +0,0 @@
-/**
- *  @file WmeanTransport.h
- *    Headers for the WmeanTransport object, which models transport
- *    properties in ideal gas solutions using the unity Lewis number
- *    approximation
- *    (see \ref tranprops and \link Cantera::WmeanTransport WmeanTransport \endlink) .
- */
-
-// This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
-
-#ifndef CT_WMEANTRAN_H
-#define CT_WMEANTRAN_H
-
-#include "MixTransport.h"
-
-namespace Cantera
-{
-//! Class WmeanTransport implements the unity Lewis number approximation
-//! for the mixture-averaged species diffusion coefficients. Mixture-averaged
-//! transport properties for viscosity and thermal conductivity are inherited
-//! from the MixTransport class.
-//! @ingroup tranprops
-class WmeanTransport : public MixTransport
-{
-public:
-    WmeanTransport();
-
-    virtual std::string transportType() const {
-        return "Wmean";
-    }
-
-    virtual void init(thermo_t* thermo, int mode=0, int log_level=0);
-
-    //! Returns the unity Lewis number approximation based diffusion
-    //! coefficients [m^2/s].
-    /*!
-     * Returns the unity Lewis number approximation based diffusion coefficients
-     * for a gas, appropriate for calculating the mass averaged diffusive flux
-     * with respect to the mass averaged velocity using gradients of the mole
-     * fraction.
-     *
-     * \f[
-     *     D^\prime_{km} = \frac{\lambda}{\rho c_p}
-     * \f]
-     *
-     * In order to obtain the expected behavior from a unity Lewis number model,
-     * this formulation requires that the correction velocity be computed as
-     *
-     * \f[
-     *     V_c = \sum \frac{W_k}{\overline{W}} D^\prime_{km} \nabla X_k
-     * \f]
-     *
-     * @param[out] d  Vector of diffusion coefficients for each species (m^2/s).
-     * length m_nsp.
-     */
-    virtual void getMixDiffCoeffs(double* const d) {
-        GasTransport::getMixDiffCoeffs(d);
-
-        double Dm = 0.0;
-        for (size_t k = 0; k < m_nsp; k++) {
-            Dm += d[k] * m_weight[k];
-        }
-        for (size_t k = 0; k < m_nsp; k++) {
-            d[k] = Dm;
-        }
-    }
-
-    //! Not implemented for unity Lewis number approximation
-    virtual void getMixDiffCoeffsMole(double* const d){
-        throw NotImplementedError("WmeanTransport::getMixDiffCoeffsMole");
-    }
-
-    //! Returns the unity Lewis number approximation based diffusion
-    //! coefficients [m^2/s].
-    /*!
-     * These are the coefficients for calculating the diffusive mass fluxes
-     * from the species mass fraction gradients, computed as
-     *
-     * \f[
-     *     D_{km} = \frac{\lambda}{\rho c_p}
-     * \f]
-     *
-     * @param[out] d  Vector of diffusion coefficients for each species (m^2/s).
-     * length m_nsp.
-     */
-    virtual void getMixDiffCoeffsMass(double* const d){
-        GasTransport::getMixDiffCoeffsMass(d);
-
-        double Dm = 0.0;
-        for (size_t k = 0; k < m_nsp; k++) {
-            Dm += d[k] * m_weight[k];
-        }
-        for (size_t k = 0; k < m_nsp; k++) {
-            d[k] = Dm;
-        }
-    }
-
-protected:
-
-    //! Internal storage for weights to calculate mean diffusivity
-    vector_fp m_weight;
-
-};
-}
-#endif

src/transport/ConstantTransport.cpp

@@ -1,162 +0,0 @@
-/**
- *  @file ConstantTransport.cpp
- *  Mixture-averaged transport properties for ideal gas mixtures.
- */
-
-// This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
-
-#include "cantera/transport/ConstantTransport.h"
-#include "cantera/base/stringUtils.h"
-
-using namespace std;
-
-namespace Cantera
-{
-ConstantTransport::ConstantTransport() :
-    MixTransport(),
-    m_reftemp(300.0)
-{
-}
-
-void ConstantTransport::init(ThermoPhase* thermo, int mode, int log_level)
-{
-    MixTransport::init(thermo, mode, log_level);
-    // m_reftemp = thermo->temperature();
-    // cout << "check reference temperature" << m_reftemp << endl;
-}
-
-    /*
-void ConstantTransport::init(ThermoPhase* thermo, int mode, int log_level)
-{
-    MixTransport::init(thermo, mode, log_level);
-}
-
-void ConstantTransport::getMobilities(doublereal* const mobil)
-{
-    getMixDiffCoeffs(m_spwork.data());
-    doublereal c1 = ElectronCharge / (Boltzmann * m_temp);
-    for (size_t k = 0; k < m_nsp; k++) {
-        mobil[k] = c1 * m_spwork[k];
-    }
-}
-
-doublereal ConstantTransport::thermalConductivity()
-{
-    update_T();
-    update_C();
-    if (!m_spcond_ok) {
-        updateCond_T();
-    }
-    if (!m_condmix_ok) {
-        doublereal sum1 = 0.0, sum2 = 0.0;
-        for (size_t k = 0; k < m_nsp; k++) {
-            sum1 += m_molefracs[k] * m_cond[k];
-            sum2 += m_molefracs[k] / m_cond[k];
-        }
-        m_lambda = 0.5*(sum1 + 1.0/sum2);
-        m_condmix_ok = true;
-    }
-    return m_lambda;
-}
-
-void ConstantTransport::getThermalDiffCoeffs(doublereal* const dt)
-{
-    for (size_t k = 0; k < m_nsp; k++) {
-        dt[k] = 0.0;
-    }
-}
-
-void ConstantTransport::getSpeciesFluxes(size_t ndim, const doublereal* const grad_T,
-                                    size_t ldx, const doublereal* const grad_X,
-                                    size_t ldf, doublereal* const fluxes)
-{
-    update_T();
-    update_C();
-    getMixDiffCoeffs(m_spwork.data());
-    const vector_fp& mw = m_thermo->molecularWeights();
-    const doublereal* y = m_thermo->massFractions();
-    doublereal rhon = m_thermo->molarDensity();
-    vector_fp sum(ndim,0.0);
-    for (size_t n = 0; n < ndim; n++) {
-        for (size_t k = 0; k < m_nsp; k++) {
-            fluxes[n*ldf + k] = -rhon * mw[k] * m_spwork[k] * grad_X[n*ldx + k];
-            sum[n] += fluxes[n*ldf + k];
-        }
-    }
-    // add correction flux to enforce sum to zero
-    for (size_t n = 0; n < ndim; n++) {
-        for (size_t k = 0; k < m_nsp; k++) {
-            fluxes[n*ldf + k] -= y[k]*sum[n];
-        }
-    }
-}
-
-void ConstantTransport::update_T()
-{
-    doublereal t = m_thermo->temperature();
-    if (t == m_temp && m_nsp == m_thermo->nSpecies()) {
-        return;
-    }
-    if (t < 0.0) {
-        throw CanteraError("ConstantTransport::update_T",
-                           "negative temperature {}", t);
-    }
-    GasTransport::update_T();
-    // temperature has changed, so polynomial fits will need to be redone.
-    m_spcond_ok = false;
-    m_bindiff_ok = false;
-    m_condmix_ok = false;
-}
-
-void ConstantTransport::update_C()
-{
-    // signal that concentration-dependent quantities will need to be recomputed
-    // before use, and update the local mole fractions.
-    m_visc_ok = false;
-    m_condmix_ok = false;
-    m_thermo->getMoleFractions(m_molefracs.data());
-
-    // add an offset to avoid a pure species condition
-    for (size_t k = 0; k < m_nsp; k++) {
-        m_molefracs[k] = std::max(Tiny, m_molefracs[k]);
-    }
-}
-
-void ConstantTransport::updateCond_T()
-{
-    if (m_mode == CK_Mode) {
-        for (size_t k = 0; k < m_nsp; k++) {
-            m_cond[k] = exp(dot4(m_polytempvec, m_condcoeffs[k]));
-        }
-    } else {
-        for (size_t k = 0; k < m_nsp; k++) {
-            m_cond[k] = m_sqrt_t * dot5(m_polytempvec, m_condcoeffs[k]);
-        }
-    }
-    m_spcond_ok = true;
-    m_condmix_ok = false;
-}
-
-    */
-
-void ConstantTransport::update_T()
-{
-    doublereal t = m_thermo->temperature();
-    if (m_reftemp == m_temp && m_nsp == m_thermo->nSpecies()) {
-        return;
-    }
-    if (t < 0.0) {
-        throw CanteraError("ConstantTransport::update_T",
-                           "negative temperature {}", t);
-    }
-    m_thermo->setTemperature(m_reftemp);
-    GasTransport::update_T();
-    m_thermo->setTemperature(t);
-    // temperature has changed, so polynomial fits will need to be redone.
-    m_spcond_ok = false;
-    m_bindiff_ok = false;
-    m_condmix_ok = false;
-}
-
-}

src/transport/TransportFactory.cpp

@@ -7,9 +7,6 @@
 #include "cantera/transport/MultiTransport.h"
 #include "cantera/transport/MixTransport.h"
 #include "cantera/transport/UnityLewisTransport.h"
-#include "cantera/transport/ConstantTransport.h"
-#include "cantera/transport/WmeanTransport.h"
-#include "cantera/transport/TurbulentTransport.h"
 #include "cantera/transport/IonGasTransport.h"
 #include "cantera/transport/WaterTransport.h"
 #include "cantera/transport/DustyGasTransport.h"
@@ -48,12 +45,6 @@ TransportFactory::TransportFactory()
 {
     reg("", []() { return new Transport(); });
     m_synonyms["None"] = "";
-    reg("Constant", []() { return new ConstantTransport(); });
-    m_synonyms["constant"] = "Constant";
-    reg("Wmean", []() { return new WmeanTransport(); });
-    m_synonyms["wmean"] = "Wmean";
-    reg("Turbulent", []() { return new TurbulentTransport(); });
-    m_synonyms["turbulent"] = "Turbulent";
     reg("UnityLewis", []() { return new UnityLewisTransport(); });
     m_synonyms["unity-Lewis-number"] = "UnityLewis";
     reg("Mix", []() { return new MixTransport(); });

src/transport/TurbulentTransport.cpp

@@ -1,49 +0,0 @@
-/**
- *  @file TurbulentTransport.cpp
- *  Mixture-averaged transport properties for ideal gas mixtures.
- */
-
-// This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
-
-#include "cantera/transport/TurbulentTransport.h"
-#include "cantera/base/stringUtils.h"
-
-using namespace std;
-
-namespace Cantera
-{
-TurbulentTransport::TurbulentTransport() :
-    MixTransport(),
-    m_turbmodifier(1.0),
-    m_profwidth(1e-5),
-    m_rdlayerstart(300.)
-{
-}
-
-void TurbulentTransport::init(ThermoPhase* thermo, int mode, int log_level)
-{
-    MixTransport::init(thermo, mode, log_level);
-
-    ifstream myfile;
-    myfile.open ("turbulent-coefs.txt");
-
-    myfile >> m_turbmodifier;
-
-    myfile.close();
-
-    // m_reftemp = thermo->temperature();
-    // cout << "check reference temperature" << m_reftemp << endl;
-}
-
-doublereal TurbulentTransport::thermalConductivity()
-{
-    doublereal rho = m_thermo->density();
-    doublereal cp = m_thermo->cp_mass();
-
-    MixTransport::thermalConductivity();
-    m_lambda += m_turbmodifier * rho * cp;
-    m_condmix_ok = true;
-    return m_lambda;
-}
-}

src/transport/WmeanTransport.cpp

@@ -1,177 +0,0 @@
-/**
- *  @file WmeanTransport.cpp
- *  Mixture-averaged transport properties for ideal gas mixtures.
- */
-
-// This file is part of Cantera. See License.txt in the top-level directory or
-// at https://cantera.org/license.txt for license and copyright information.
-
-#include "cantera/transport/WmeanTransport.h"
-#include "cantera/base/stringUtils.h"
-
-using namespace std;
-
-namespace Cantera
-{
-WmeanTransport::WmeanTransport() :
-    MixTransport(),
-    m_weight(m_nsp)
-{
-}
-
-void WmeanTransport::init(ThermoPhase* thermo, int mode, int log_level)
-{
-    MixTransport::init(thermo, mode, log_level);
-
-    m_weight.resize(m_nsp);
-
-    m_weight.assign(m_nsp, 0.0);
-    m_weight[0] = 1.0;
-
-    ifstream myfile;
-    myfile.open ("wmean-weights.txt");
-    for (size_t k = 0; k < m_nsp; k++) {
-        myfile >> m_weight[k];
-
-        cout << m_thermo->speciesName(k) << m_weight[k] << endl;
-    }
-    myfile.close();
-
-    // m_reftemp = thermo->temperature();
-    // cout << "check reference temperature" << m_reftemp << endl;
-}
-
-    /*
-void WmeanTransport::init(ThermoPhase* thermo, int mode, int log_level)
-{
-    MixTransport::init(thermo, mode, log_level);
-}
-
-void WmeanTransport::getMobilities(doublereal* const mobil)
-{
-    getMixDiffCoeffs(m_spwork.data());
-    doublereal c1 = ElectronCharge / (Boltzmann * m_temp);
-    for (size_t k = 0; k < m_nsp; k++) {
-        mobil[k] = c1 * m_spwork[k];
-    }
-}
-
-doublereal WmeanTransport::thermalConductivity()
-{
-    update_T();
-    update_C();
-    if (!m_spcond_ok) {
-        updateCond_T();
-    }
-    if (!m_condmix_ok) {
-        doublereal sum1 = 0.0, sum2 = 0.0;
-        for (size_t k = 0; k < m_nsp; k++) {
-            sum1 += m_molefracs[k] * m_cond[k];
-            sum2 += m_molefracs[k] / m_cond[k];
-        }
-        m_lambda = 0.5*(sum1 + 1.0/sum2);
-        m_condmix_ok = true;
-    }
-    return m_lambda;
-}
-
-void WmeanTransport::getThermalDiffCoeffs(doublereal* const dt)
-{
-    for (size_t k = 0; k < m_nsp; k++) {
-        dt[k] = 0.0;
-    }
-}
-
-void WmeanTransport::getSpeciesFluxes(size_t ndim, const doublereal* const grad_T,
-                                    size_t ldx, const doublereal* const grad_X,
-                                    size_t ldf, doublereal* const fluxes)
-{
-    update_T();
-    update_C();
-    getMixDiffCoeffs(m_spwork.data());
-    const vector_fp& mw = m_thermo->molecularWeights();
-    const doublereal* y = m_thermo->massFractions();
-    doublereal rhon = m_thermo->molarDensity();
-    vector_fp sum(ndim,0.0);
-    for (size_t n = 0; n < ndim; n++) {
-        for (size_t k = 0; k < m_nsp; k++) {
-            fluxes[n*ldf + k] = -rhon * mw[k] * m_spwork[k] * grad_X[n*ldx + k];
-            sum[n] += fluxes[n*ldf + k];
-        }
-    }
-    // add correction flux to enforce sum to zero
-    for (size_t n = 0; n < ndim; n++) {
-        for (size_t k = 0; k < m_nsp; k++) {
-            fluxes[n*ldf + k] -= y[k]*sum[n];
-        }
-    }
-}
-
-void WmeanTransport::update_T()
-{
-    doublereal t = m_thermo->temperature();
-    if (t == m_temp && m_nsp == m_thermo->nSpecies()) {
-        return;
-    }
-    if (t < 0.0) {
-        throw CanteraError("WmeanTransport::update_T",
-                           "negative temperature {}", t);
-    }
-    GasTransport::update_T();
-    // temperature has changed, so polynomial fits will need to be redone.
-    m_spcond_ok = false;
-    m_bindiff_ok = false;
-    m_condmix_ok = false;
-}
-
-void WmeanTransport::update_C()
-{
-    // signal that concentration-dependent quantities will need to be recomputed
-    // before use, and update the local mole fractions.
-    m_visc_ok = false;
-    m_condmix_ok = false;
-    m_thermo->getMoleFractions(m_molefracs.data());
-
-    // add an offset to avoid a pure species condition
-    for (size_t k = 0; k < m_nsp; k++) {
-        m_molefracs[k] = std::max(Tiny, m_molefracs[k]);
-    }
-}
-
-void WmeanTransport::updateCond_T()
-{
-    if (m_mode == CK_Mode) {
-        for (size_t k = 0; k < m_nsp; k++) {
-            m_cond[k] = exp(dot4(m_polytempvec, m_condcoeffs[k]));
-        }
-    } else {
-        for (size_t k = 0; k < m_nsp; k++) {
-            m_cond[k] = m_sqrt_t * dot5(m_polytempvec, m_condcoeffs[k]);
-        }
-    }
-    m_spcond_ok = true;
-    m_condmix_ok = false;
-}
-
-void WmeanTransport::update_T()
-{
-    doublereal t = m_thermo->temperature();
-    if (m_reftemp == m_temp && m_nsp == m_thermo->nSpecies()) {
-        return;
-    }
-    if (t < 0.0) {
-        throw CanteraError("WmeanTransport::update_T",
-                           "negative temperature {}", t);
-    }
-    m_thermo->setTemperature(m_reftemp);
-    GasTransport::update_T();
-    m_thermo->setTemperature(t);
-    // temperature has changed, so polynomial fits will need to be redone.
-    m_spcond_ok = false;
-    m_bindiff_ok = false;
-    m_condmix_ok = false;
-}
-
-    */
-
-}