[Kinetics] Remove Rate1 from InterfaceKinetics

Cantera · May 28, 2022 · ba207ad · ba207ad
1 parent a384352
commit ba207ad
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diff --git a/include/cantera/kinetics/InterfaceKinetics.h b/include/cantera/kinetics/InterfaceKinetics.h
@@ -148,64 +148,6 @@ class InterfaceKinetics : public Kinetics
     virtual void getRevRateConstants(doublereal* krev,
                                      bool doIrreversible = false);
 
-    //! Return effective preexponent for the specified reaction
-    /*!
-     *  Returns effective preexponent, accounting for surface coverage
-     *  dependencies.
-     *
-     *  @param irxn Reaction number in the kinetics mechanism
-     *  @return Effective preexponent
-     *
-     *  @deprecated To be removed after Cantera 2.6.
-     */
-    double effectivePreExponentialFactor(size_t irxn) {
-        if (m_interfaceRates.size()) {
-            throw NotImplementedError(
-                "InterfaceKinetics::effectivePreExponentialFactor",
-                "Only implemented for legacy CTI/XML framework.");
-        }
-        return m_rates.effectivePreExponentialFactor(irxn);
-    }
-
-    //! Return effective activation energy for the specified reaction
-    /*!
-     *  Returns effective activation energy, accounting for surface coverage
-     *  dependencies.
-     *
-     *  @param irxn Reaction number in the kinetics mechanism
-     *  @return Effective activation energy divided by the gas constant
-     *
-     *  @deprecated To be removed after Cantera 2.6.
-     */
-    double effectiveActivationEnergy_R(size_t irxn) {
-        if (m_interfaceRates.size()) {
-            throw NotImplementedError(
-                "InterfaceKinetics::effectiveActivationEnergy_R",
-                "Only implemented for legacy CTI/XML framework.");
-        }
-       return m_rates.effectiveActivationEnergy_R(irxn);
-    }
-
-    //! Return effective temperature exponent for the specified reaction
-    /*!
-     *  Returns effective temperature exponent, accounting for surface coverage
-     *  dependencies. Current parameterization in SurfaceArrhenius does not
-     *  change this parameter with the change in surface coverages.
-     *
-     *  @param irxn Reaction number in the kinetics mechanism
-     *  @return Effective temperature exponent
-     *
-     *  @deprecated To be removed after Cantera 2.6.
-     */
-    double effectiveTemperatureExponent(size_t irxn) {
-        if (m_interfaceRates.size()) {
-            throw NotImplementedError(
-                "InterfaceKinetics::effectiveTemperatureExponent",
-                "Only implemented for legacy CTI/XML framework.");
-        }
-       return m_rates.effectiveTemperatureExponent(irxn);
-    }
-
     //! @}
     //! @name Reaction Mechanism Construction
     //! @{
@@ -239,9 +181,7 @@ class InterfaceKinetics : public Kinetics
     //! Update properties that depend on temperature
     /*!
      *  Current objects that this function updates:
-     *       m_kdata->m_logtemp
      *       m_kdata->m_rfn
-     *       m_rates.
      *       updateKc();
      */
     void _update_rates_T();
@@ -418,13 +358,6 @@ class InterfaceKinetics : public Kinetics
      */
     std::vector<size_t> m_revindex;
 
-    //! Templated class containing the vector of reactions for this interface
-    /*!
-     *  The templated class is described in RateCoeffMgr.h
-     *  The class SurfaceArrhenius is described in RxnRates.h
-     */
-    Rate1<SurfaceArrhenius> m_rates;
-
     bool m_redo_rates;
 
     //! Vector of rate handlers for interface reactions
@@ -609,9 +542,6 @@ class InterfaceKinetics : public Kinetics
     //! Current temperature of the data
     doublereal m_temp;
 
-    //! Current log of the temperature
-    doublereal m_logtemp;
-
     //! Boolean flag indicating whether any reaction in the mechanism
     //! has a coverage dependent forward reaction rate
     /*!

diff --git a/src/kinetics/InterfaceKinetics.cpp b/src/kinetics/InterfaceKinetics.cpp
@@ -23,7 +23,6 @@ InterfaceKinetics::InterfaceKinetics(ThermoPhase* thermo) :
     m_integrator(0),
     m_ROP_ok(false),
     m_temp(0.0),
-    m_logtemp(0.0),
     m_has_coverage_dependence(false),
     m_has_electrochem_rxns(false),
     m_has_exchange_current_density_formulation(false),
@@ -65,18 +64,14 @@ void InterfaceKinetics::_update_rates_T()
     _update_rates_phi();
     if (m_has_coverage_dependence) {
         m_surf->getCoverages(m_actConc.data());
-        m_rates.update_C(m_actConc.data());
         m_redo_rates = true;
     }
 
     // Go find the temperature from the surface
     doublereal T = thermo(surfacePhaseIndex()).temperature();
     m_redo_rates = true;
     if (T != m_temp || m_redo_rates) {
-        m_logtemp = log(T);
-
         //  Calculate the forward rate constant by calling m_rates and store it in m_rfn[]
-        m_rates.update(T, m_logtemp, m_rfn.data());
         for (size_t n = 0; n < nPhases(); n++) {
             thermo(n).getPartialMolarEnthalpies(m_grt.data() + m_start[n]);
         }