Zeolites have been widely used for the processes of adsorption, separation, and catalysis, which are strongly correlated with molecular diffusion. However, the correlation between pore dimension and diffusion properties has not been systematically investigated so far. In this work, the diffusion properties of alkanes in six zeolites with similar pore sizes but different pore dimension have been examined. It is found that the diffusion coefficients of alkanes in zeolites are 2–5 orders of magnitude smaller than that in gas phase. Moreover, the diffusion of alkanes inside zeolites is sensitive to the pore dimension, and can be differentiated by 1‐D straight, 1‐D tortuous, and 3‐D intersecting channels, based on the derived quantitative correlation between the diffusion behavior and pore dimension. Our work may not only provide deep insights into the effects of pore dimension on diffusion, but also benefits for the future design and practical applications of zeolite catalysts.

中文翻译：

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沸石拓扑结构对不同通道内烷烃扩散的依赖性

沸石已广泛用于吸附，分离和催化过程，这些过程与分子扩散密切相关。但是，到目前为止，尚未对孔尺寸与扩散性能之间的相关性进行系统研究。在这项工作中，研究了烷烃在六种孔径相似但孔径不同的沸石中的扩散性能。研究发现，烷烃在沸石中的扩散系数比气相中的扩散系数小2-5个数量级。此外，烷烃在沸石内部的扩散对孔尺寸敏感，并且可以根据扩散行为与孔尺寸之间的定量相关性，通过一维直形，一维曲折形和三维相交通道来区分。 。