Competitive diffusion of benzene-hexane mixtures in microporous medium: mathematical modeling and parameters identification

Abstract

In the paper we propose new effective identification procedures for competitive diffusion coefficients of two gases (benzene and hexane) in intra- and inter- crystallite space. This procedure is developed using high-speed gradient methods, mathematical models of competitive as well as monodiffusion, and NMR imaging of adsorbed masses distribution for each component in zeolite crystallite bed. Distributions of diffusion coefficients as functions of time were obtained for different positions along the microspores. The benzene and hexane concentration curves as functions of time were built at every level of crystallite bed for inter crystallite space, based on identified coefficients and developed mathematical models.