title: A generalized kinetic model for heterogeneous gas-solid reactions.
abstract: We present a generalized kinetic model for gas-solid heterogeneous reactions taking place at the interface between two phases. The model studies the reaction kinetics by taking into account the reactions at the interface, as well as the transport process within the product layer. The standard unreacted shrinking core model relies on the assumption of quasi-static diffusion that results in a steady-state concentration profile of gas reactant in the product layer. By relaxing this assumption and resolving the entire problem, general solutions can be obtained for reaction kinetics, including the reaction front velocity and the conversion (volume fraction of reacted solid). The unreacted shrinking core model is shown to be accurate and in agreement with the generalized model for slow reaction (or fast diffusion), low concentration of gas reactant, and small solid size. Otherwise, a generalized kinetic model should be used.
authors.affiliation: Computational Sciences and Mathematics Division, Fundamental and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA. zhijie.xu@pnnl.gov
authors.forename: Zhijie
authors.initials: Z
authors.lastname: Xu
authors.forename: Xin
authors.initials: X
authors.lastname: Sun
authors.forename: Mohammad A
authors.initials: MA
authors.lastname: Khaleel