ReactorSurface.h

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//! @file ReactorSurface.h Header file for class ReactorSurface
 
// 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_REACTOR_SURFACE_H
#define CT_REACTOR_SURFACE_H
 
#include "cantera/zeroD/ReactorBase.h"
 
namespace Cantera
{
 
class Kinetics;
class SurfPhase;
 
//! A surface where reactions can occur that is in contact with the bulk fluid of a
//! Reactor.
//! @ingroup wallGroup
class ReactorSurface
{
public:
    ReactorSurface(const string& name="(none)") : m_name(name) {}
    virtual ~ReactorSurface() = default;
    ReactorSurface(const ReactorSurface&) = delete;
    ReactorSurface& operator=(const ReactorSurface&) = delete;
 
    //! String indicating the wall model implemented.
    virtual string type() const {
        return "ReactorSurface";
    }
 
    //! Retrieve reactor surface name.
    string name() const {
        return m_name;
    }
 
    //! Set reactor surface name.
    void setName(const string& name) {
        m_name = name;
    }
 
    //! Set the default name of a wall. Returns `false` if it was previously set.
    bool setDefaultName(map<string, int>& counts);
 
    //! Returns the surface area [m^2]
    double area() const;
 
    //! Set the surface area [m^2]
    void setArea(double a);
 
    //! Accessor for the SurfPhase object
    SurfPhase* thermo() {
        return m_thermo;
    }
 
    //! Accessor for the InterfaceKinetics object
    Kinetics* kinetics() {
        return m_kinetics;
    }
 
    //! Set the InterfaceKinetics object for this surface
    void setKinetics(Kinetics* kin);
 
    //! Set the reactor that this Surface interacts with
    void setReactor(ReactorBase* reactor);
 
    //! Number of sensitivity parameters associated with reactions on this
    //! surface
    size_t nSensParams() const {
        return m_params.size();
    }
 
    //! Set the surface coverages. Array `cov` has length equal to the number of
    //! surface species.
    void setCoverages(const double* cov);
 
    //! Set the surface coverages by name
    void setCoverages(const Composition& cov);
 
    //! Set the surface coverages by name
    void setCoverages(const string& cov);
 
    //! Get the surface coverages. Array `cov` should have length equal to the
    //! number of surface species.
    void getCoverages(double* cov) const;
 
    //! Set the coverages and temperature in the surface phase object to the
    //! values for this surface. The temperature is set to match the bulk phase
    //! of the attached Reactor.
    void syncState();
 
    //! Enable calculation of sensitivities with respect to the rate constant
    //! for reaction `i`.
    void addSensitivityReaction(size_t i);
 
    //! Set reaction rate multipliers. `params` is the global vector of
    //! sensitivity parameters. This function is called within
    //! ReactorNet::eval() before the reaction rates are evaluated.
    void setSensitivityParameters(const double* params);
 
    //! Set reaction rate multipliers back to their initial values. This
    //! function is called within ReactorNet::eval() after all rates have been
    //! evaluated.
    void resetSensitivityParameters();
 
protected:
    string m_name;  //!< Reactor surface name.
    bool m_defaultNameSet = false;  //!< `true` if default name has been previously set.
 
    double m_area = 1.0;
 
    SurfPhase* m_thermo = nullptr;
    Kinetics* m_kinetics = nullptr;
    ReactorBase* m_reactor = nullptr;
    vector<double> m_cov;
    vector<SensitivityParameter> m_params;
};
 
}
 
#endif