Molecular dynamics simulations were performed in order to study the influence of the zeolite structure on molecular migration in the zeolitic void space.The migration of methane in various zeolitic environments was examined by using the all-silica polymorphs of zeolite EU-I , mordenite, and silicalite.Furthermore, diffusion simulations of ethane and propane in silicalite were carried out and computed diffusion characteristics were compared with experimental data.
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Nowak et al. (1991) studied this question.