CIN4: a software tool for simulation of heterogeneous reactions at a reactor scale based on a micro-meso-macro coupling

Loïc Favergeon (1, 2, 3) , Morandini Jacques (4) , Sandra Jacquier (1, 2, 3) , Michèle Pijolat (1, 2, 3) , Michel Soustelle (1, 2, 3)

1 LPMG-EMSE - Laboratoire des Procédés en Milieux Granulaires
2 SPIN-ENSMSE - Centre Sciences des Processus Industriels et Naturels
3 ProcESS-ENSMSE - Département Procédés et évolution des systèmes avec solides
4 ASTEK Rhône-Alpes

Understanding the industrial reactors behavior is a difficult task in the case of solid state reactions such as solid-gas reactions. Indeed the solid phase is a granular medium through which circulate gaseous reactants and products. The properties of such a medium are modified in space and time due to reactions occurring at a microscopic scale. The thermodynamic conditions are driven not only by the operating conditions but also by the heat and mass transfers in the reactor. CIN4, a multiphysic software resulting from the collaboration between ASTEK and EMSE, offers the resolution of the thermohydraulic equations combined with kinetic laws which describe the heterogeneous reactions. The heat and mass transfers terms entering in the balance equations at a macroscopic scale depend on the kinetics evaluated at the microscopic scale. These equations give the temperature and partial pressure in the reactor, which in turn influence the microscopic kinetic behavior.

Mots clés: kinetics; simulation; heat and mass transfers; multi-scale

Domaines: Génie des procédés

Loïc Favergeon, Morandini Jacques, Sandra Jacquier, Michèle Pijolat, Michel Soustelle. CIN4: a software tool for simulation of heterogeneous reactions at a reactor scale based on a micro-meso-macro coupling. XII ° Congrès de la Société Française de Génie des Procédés Pour relever les défis industriels du XXI° siècle A la croisée des Sciences et des Cultures, Oct 2009, Marseille, France. ⟨hal-00461122⟩