Multi-stage shrinking core model for thermal decomposition reactions with a self-inhibiting nature

Abstract

Among the variety of thermal decomposition reactions, some display self-inhibiting behaviour, where the produced gas negatively influences the reaction progress. Further, a build-up of internal pressure caused by the product gas may alter the reaction pathway over the reaction duration in a way that favours a particular pathway over others. Two well-known cases of this kind of reaction are the thermal decomposition of limestone and gibbsite, in which carbon dioxide and water vapour are the produced gases, respectively. A multi-stage, multi-reaction, shrinking core model is proposed for this type of reaction. The model emphasises the role of the produced gas, not only in the mass transfer rate, but also in the reaction kinetics. It also includes parallel and series reaction pathways, which allows for the presence of an intermediate species. The model has been applied to the conversion of gibbsite to alumina, and it includes the formation of boehmite as an intermediate product. The model results are in good agreement with experimental data for gibbsite calcination reported in the literature. Gibbsite conversion, boehmite formation and subsequent consumption, as well as alumina formation, are successfully simulated. Further, the corresponding kinetic parameters are estimated for all reactions of interest.