CIN4: A multiphysics software for heterogeneous reactions at a reactor scale

Loic Favergeon (1, 2, 3) , Jacques Morandini (4) , Michèle Pijolat (1, 2, 3) , Michel Soustelle (1, 2, 3)

1 SPIN-ENSMSE - Centre Sciences des Processus Industriels et Naturels
2 LGF-ENSMSE - Laboratoire Georges Friedel
3 PRESSIC-ENSMSE - Procédés et REactivité des Systèmes Solide-gaz, Instrumentation et Capteurs
4 ASTEK Rhône-Alpes

A rigorous simulation of industrial reactors in the case of solid-gas reacting systems is a complicated task due to several difficulties linked to the kinetic problem at the scale of the solid grains and to the problem of gas and heat transfers within the powder bed. Firstly it requires the knowledge of the kinetic model for the calculation of the kinetic rate of reaction in one part of the reactor and for given conditions of temperature and gas composition, and secondly it necessitates solving the material and heat balance equations for the flow conditions settled in the reactor. The first part of the article is devoted to the presentation of the kinetic models governing a population of grains transformed in the same conditions of temperature and gas composition. Then a short presentation of CIN4, a multiphysics software resulting from the collaboration between ASTEK and EMSE, shows the various scales of the calculations: CIN4 offers the resolution of the thermohydraulic equations combined with the kinetic laws which describe the heterogeneous reactions, including the diffusion aspects in the case of aggregates. Then two examples of application are given in order to illustrate the interest of this multiphysics modeling: the dehydroxylation of kaolinite and the carbonation of CaO by CO₂.

Mots clés: kinetics; simulation; solid-gas reactions; reactor; aggregates

Domaines: Génie des procédés

Loic Favergeon, Jacques Morandini, Michèle Pijolat, Michel Soustelle. CIN4: A multiphysics software for heterogeneous reactions at a reactor scale. XIVe Congrès de la Société Française de Génie des Procédés, Oct 2013, Lyon, France. pp.No 104. ⟨hal-00930184⟩