A General Approach for Kinetic Modeling of Solid-Gas Reactions at Reactor Scale: Application to Kaolinite Dehydroxylation

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. We propose to numerically resolve the thermohydraulic equations combined with kinetic laws which describe the heterogeneous reactions. The major advantage of this approach is due to the large variety of kinetic models of grains transformation (~40) compared to the usual approach, especially in the case of surface nucleation and growth processes which need to quantitatively describe the grain conversion kinetics at a microscopic scale due to nucleation frequency and growth rate laws obtained in separate isothermal and isobaric experiments. 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