Physicochemical and thermal modelling of the reaction between a porous   pellet and a gas
  A mathematical model has been developed to simulate the kinetic and thermal behaviour of a porous solid pellet undergoing chemical reaction with a gas. The model describes the chemical reaction itself, the transfer of the gaseous species between the external gas and the pellet surface, the transport of these species to the inside of the pellet through the pores and through the layer of solid reaction products, the generation (or consumption) of heat due to the reaction and the associated heat transfer processes, together with the structural changes produced in the solid by the reaction. The model has been validated by comparison with experimental results and data from the literature. Simulation results are presented for two reactions: the exothermal oxidation of zinc sulphide and the hydrofluorination of uranium dioxide. 
F Patisson (IJL), D Ablitzer (LSG2M)
physics.chem-ph cond-mat.soft