Reaction.h

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#ifndef Reaction_included
#define Reaction_included
 
#include <Champ_Fonc_base.h>
#include <TRUST_Vector.h>
#include <TRUSTArray.h>
#include <TRUST_List.h>
#include <TRUST_Ref.h>
#include <Objet_U_With_Params.h>
 
class Champ_Inc_base;
class Probleme_base;
class Champ_base;
class Motcles;
 
class Reaction: public Objet_U_With_Params
{
  Declare_instanciable_with_param(Reaction);
public:
  friend class Chimie;
  void completer(const Motcles& list_var,const ArrOfDouble& masse_molaire);
 
  void reagir(VECT(OBS_PTR(Champ_Inc_base))& liste_c,const double deltat) const;
  double calcul_proportion_implicite(ArrOfDouble& C_temp,const ArrOfDouble& C0,double deltat, double seuil, double& poroportion_directe ) const;
  void extract_coef(ArrOfDouble& coeff_recactifs,ArrOfDouble& coeff_produits,const Motcles& list_var,const ArrOfDouble& masse_molaire) const;
  double calculer_pas_de_temps() const;
  int lire_motcle_non_standard(const Motcle& motlu, Entree& is) override;
  inline const Champ_base& get_omega() const
  {
    return omega_.valeur();
  }
  void discretiser_omega(const Probleme_base& pb,const Nom&);
  inline  const int& nb_sous_pas_de_temps_reaction() const
  {
    return nb_sous_pas_de_temps_reaction_ ;
  }
protected:
 
  void validate_params() const override;
  Nom reactifs_; // REQUIRED
  Nom produits_; // REQUIRED
  Nom activite_ = "0"; // not REQUIRED, has default value
 
  double constante_taux_reaction_=1e30;
  double enthalpie_reaction_ = -100.; // in J/mol
  double contre_reaction_=-1.;     // prefactor
  double c_r_Ea_=0.;              // in J/mol
  double Sc_t_=0.8;               // Turbulent Schmidt number (e.g. 0.8)
  double Ea_=0.;                 // in J/mol
  double beta_=0./*,exp_comb_,exp_oxy_*/;
  ArrOfDouble coeff_Y_,coeff_stoechio_;
  ArrOfDouble coeff_activite_;
  Motcles save_alias_; // to verify that Yi values arrive in the same order as during reaction parsing
  mutable OWN_PTR(Champ_Fonc_base)  omega_;
 
  mutable double proportion_max_sur_delta_t_=1;
  double proportion_max_admissible_=1e30;
  int nb_sous_pas_de_temps_reaction_=1;
};
 
#endif