TESReactionAdaptor.h

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#pragma once
 
#include <memory>
#include <vector>
 
#include "MaterialLib/Adsorption/ReactionCaOH2.h"
#include "MathLib/ODE/ODESolver.h"
 
namespace ProcessLib
{
namespace TES
{
struct TESLocalAssemblerData;
 
struct ReactionRate
{
    const double reaction_rate;
    const double solid_density;
};
 
class TESFEMReactionAdaptor
{
public:
    virtual bool checkBounds(std::vector<double> const& /*local_x*/,
                             std::vector<double> const& /*local_x_prev_ts*/)
    {
        return true;  // by default accept everything
    }
 
    virtual ReactionRate initReaction(const unsigned int_pt) = 0;
 
    virtual void preZerothTryAssemble() {}
    // TODO: remove
    virtual double getReactionDampingFactor() const { return -1.0; }
    virtual ~TESFEMReactionAdaptor() = default;
 
    static std::unique_ptr<TESFEMReactionAdaptor> newInstance(
        TESLocalAssemblerData const& data);
};
 
class TESFEMReactionAdaptorAdsorption final : public TESFEMReactionAdaptor
{
public:
    explicit TESFEMReactionAdaptorAdsorption(TESLocalAssemblerData const& data);
 
    bool checkBounds(std::vector<double> const& local_x,
                     std::vector<double> const& local_x_prev_ts) override;
 
    ReactionRate initReaction(const unsigned int_pt) override
    {
        return initReaction_slowDownUndershootStrategy(int_pt);
    }
 
    void preZerothTryAssemble() override;
 
    // TODO: get rid of
    double getReactionDampingFactor() const override
    {
        return _reaction_damping_factor;
    }
 
private:
    ReactionRate initReaction_slowDownUndershootStrategy(const unsigned int_pt);
 
    double estimateAdsorptionEquilibrium(const double p_V0,
                                         const double C0) const;
 
    double _reaction_damping_factor = 1.0;
    std::vector<bool> _bounds_violation;
 
    TESLocalAssemblerData const& _d;
};
 
class TESFEMReactionAdaptorInert final : public TESFEMReactionAdaptor
{
public:
    explicit TESFEMReactionAdaptorInert(TESLocalAssemblerData const& /*data*/);
 
    ReactionRate initReaction(const unsigned int_pt) override;
 
private:
    TESLocalAssemblerData const& _d;
};
 
class TESFEMReactionAdaptorSinusoidal final : public TESFEMReactionAdaptor
{
public:
    explicit TESFEMReactionAdaptorSinusoidal(TESLocalAssemblerData const& data);
 
    ReactionRate initReaction(const unsigned /*int_pt*/) override;
 
private:
    TESLocalAssemblerData const& _d;
};
 
class TESFEMReactionAdaptorCaOH2 final : public TESFEMReactionAdaptor
{
public:
    explicit TESFEMReactionAdaptorCaOH2(TESLocalAssemblerData const& data);
 
    ReactionRate initReaction(const unsigned /*int_pt*/) override;
 
private:
    using Data = TESLocalAssemblerData;
    using React = Adsorption::ReactionCaOH2;
    Data const& _d;
    React& _react;
 
    std::unique_ptr<MathLib::ODE::ODESolver<1>> _ode_solver;
 
    static bool odeRhs(const double /*t*/,
                       MathLib::ODE::MappedConstVector<1> const y,
                       MathLib::ODE::MappedVector<1>
                           ydot,
                       React& reaction);
};
 
}  // namespace TES
}  // namespace ProcessLib