ReactionCaOH2.h

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#pragma once
 
#include "materiallib_export.h"
 
#include "BaseLib/ConfigTree.h"
#include "Reaction.h"
#include "Adsorption.h"
 
namespace ProcessLib
{
template<typename>
class TESFEMReactionAdaptorCaOH2;
}
 
namespace Adsorption
{
 
class ReactionCaOH2 final : public Reaction
{
public:
    explicit ReactionCaOH2(BaseLib::ConfigTree const& conf) :
        _ode_solver_config{conf.getConfigSubtree("ode_solver_config")}
    {}
 
    double getEnthalpy(const double /*p_Ads*/, const double /*T_Ads*/,
                        const double /*M_Ads*/) const override;
 
    double getReactionRate(const double /*p_Ads*/, const double /*T_Ads*/, const double /*M_Ads*/,
                             const double /*loading*/) const override;
 
    const BaseLib::ConfigTree& getOdeSolverConfig() const { return _ode_solver_config; }
 
    // TODO merge with getReactionRate() above
    double getReactionRate(double const solid_density);
 
    void updateParam(double T_solid, double p_gas, double x_react,
                     double rho_s_initial);
 
private:
    void calculateQR();
    void setChemicalEquilibrium();
    double CaHydration();
 
    static constexpr double nan = std::numeric_limits<double>::quiet_NaN();
 
    double _rho_s = nan;    
    double _p_gas = nan;    
    double _p_r_g = nan;    
    double _p_eq = 1.0;     
    double _T_eq = nan;     
    double _T_s = nan;      
    double _qR = nan;       
    double _x_react = nan;  
    double _X_D =
        nan;  
    double _X_H = nan;  
 
    const BaseLib::ConfigTree _ode_solver_config;
 
    template<typename>
    friend class ProcessLib::TESFEMReactionAdaptorCaOH2;
 
public:
    static MATERIALLIB_EXPORT constexpr double rho_low =
        1656.0;  
    static MATERIALLIB_EXPORT constexpr double rho_up =
        2200.0;  
};
 
}  // namespace Adsorption