Table of Contents
Molecules, Volume 24, Issue 20 (October-2 2019) – 180 articles
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Cover Story (view full-size image) Synthetic zeolite N is a fibrous zeolite of the EDI group. Experiments verify the high capacity of [...] Read more. Synthetic zeolite N is a fibrous zeolite of the EDI group. Experiments verify the high capacity of zeolite N for selective ion exchange applications as compared with natural zeolites. However, experiments are not readily able to clarify the exchange and diffusion mechanisms of cations within the complex porous structure of zeolite N. Using molecular dynamics simulations, this work characterizes the atomic scale mechanistic interactions used for ion exchange by zeolite N. Results show that the exchange and diffusion of cations varies depending on the nature of cation, ion size, and charge, as well as the direction of exchange process within zeolite N channels. The methodology applied in this study provides a practical method to investigate and predict the ion exchange behavior of other zeolite structures. View this paper.