IdealGasMoleReactor.h

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//! @file IdealGasMoleReactor.h
 
// 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_IDEALGASMOLE_REACTOR_H
#define CT_IDEALGASMOLE_REACTOR_H
 
#include "cantera/zeroD/MoleReactor.h"
 
namespace Cantera
{
 
/**
 * IdealGasMoleReactor is a class for ideal gas constant-volume reactors which use a
 * state of moles.
 * @since New in %Cantera 3.0
 * @ingroup reactorGroup
 */
class IdealGasMoleReactor : public MoleReactor
{
public:
    using MoleReactor::MoleReactor; // inherit constructors
 
    string type() const override {
        return "IdealGasMoleReactor";
    }
 
    size_t componentIndex(const string& nm) const override;
    string componentName(size_t k) override;
    double upperBound(size_t k) const override;
    double lowerBound(size_t k) const override;
    vector<size_t> initializeSteady() override;
 
    void getState(span<double> y) override;
 
    void initialize(double t0=0.0) override;
 
    void eval(double t, span<double> LHS, span<double> RHS) override;
    void evalSteady(double t, span<double> LHS, span<double> RHS) override;
 
    void updateState(span<const double> y) override;
 
    //! Calculate an approximate Jacobian to accelerate preconditioned solvers
 
    //! Neglects derivatives with respect to mole fractions that would generate a
    //! fully-dense Jacobian. Connector terms are included for supported flow devices
    //! and walls, subject to derivative settings that control sparse approximations.
    void getJacobianElements(SparseTriplets& trips) override;
    void getJacobianScalingFactors(double& f_species, span<double> f_energy) override;
    void addPressureJacobian(SparseTriplets& trips, size_t row,
                             double coeff, bool includeSpecies=true) const override;
    void addTemperatureJacobian(SparseTriplets& trips, size_t row,
                                double coeff) const override;
    void addSpeciesMassFractionJacobian(SparseTriplets& trips, size_t row, size_t k,
                                        double coeff) const override;
    void addEnthalpyJacobian(SparseTriplets& trips, size_t row, double coeff,
                             bool includeComposition=true) const override;
 
    bool preconditionerSupported() const override {return true;};
 
protected:
    vector<double> m_uk; //!< Species molar internal energies
    double m_TotalCv; //!< Total heat capacity (@f$ m c_v @f$) [J/K]
 
     //! Initial volume [m³]; used for steady-state calculations
    double m_initialVolume;
 
     //! Initial temperature [K]; used for steady-state calculations
    double m_initialTemperature;
};
 
}
 
#endif