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Diffusion of confined fluids in microporous zeolites and clay materials
Reports on Progress in Physics ( IF 19.0 ) Pub Date : 2021-05-11 , DOI: 10.1088/1361-6633/abf085
S Mitra 1, 2 , V K Sharma 1, 2 , R Mukhopadhyay 1, 2
Affiliation  

Fluids exhibit remarkable variation in their structural and dynamic properties when they are confined at the nanoscopic scale. Various factors, including geometric restriction, the size and shape of the guest molecules, the topology of the host, and guest–host interactions, are responsible for the alterations in these properties. Due to their porous structures, aluminosilicates provide a suitable host system for studying the diffusion of sorbates in confinement. Zeolites and clays are two classes of the aluminosilicate family, comprising very ordered porous or layered structures. Zeolitic materials are important due to their high catalytic activity and molecular sieving properties. Guest molecules adsorbed by zeolites display many interesting features including unidimensional diffusion, non-isotropic rotation, preferred orientation and levitation effects, depending on the guest and host characteristics. These are useful for the separation of hydrocarbons which commonly exist as mixtures in nature. Similarly, clay materials have found application in catalysis, desalination, enhanced oil recovery, and isolation barriers used in radioactive waste disposal. It has been shown that the bonding interactions, level of hydration, interlayer spacing, and number of charge-balancing cations are the important factors that determine the nature of diffusion of water molecules in clays. Here, we present a review of the current status of the diffusion mechanisms of various adsorbed species in different microporous zeolites and clays, as investigated using quasielastic neutron scattering and classical molecular dynamics simulation techniques. It is impossible to write an exhaustive review of the subject matter, as it has been explored over several decades and involves many research topics. However, an effort is made to cover the relevant issues specific to the dynamics of different molecules in microporous zeolites and clay materials and to highlight a variety of interesting features that are important for both practical applications and fundamental aspects.



中文翻译:

微孔沸石和粘土材料中受限流体的扩散

当流体被限制在纳米尺度上时,它们的结构和动态特性会表现出显着的变化。各种因素,包括几何限制、客体分子的大小和形状、主体的拓扑结构以及客体-主体相互作用,都是导致这些性质改变的原因。由于其多孔结构,铝硅酸盐提供了一个合适的宿主系统,用于研究限制条件下吸附物的扩散。沸石和粘土是铝硅酸盐家族的两类,包括非常有序的多孔或层状结构。沸石材料因其高催化活性和分子筛分特性而非常重要。沸石吸附的客体分子显示出许多有趣的特征,包括一维扩散、非各向同性旋转、首选方向和悬浮效应,取决于客人和主人的特征。它们可用于分离通常以混合物形式存在的烃类。类似地,粘土材料已在催化、脱盐、提高石油采收率和放射性废物处理中使用的隔离屏障中得到应用。已经表明,键合相互作用、水化程度、层间距和电荷平衡阳离子的数量是决定粘土中水分子扩散性质的重要因素。在这里,我们回顾了使用准弹性中子散射和经典分子动力学模拟技术研究的不同微孔沸石和粘土中各种吸附物质的扩散机制的现状。对该主题进行详尽的评论是不可能的,因为它已经被探索了几十年并且涉及许多研究主题。然而,我们努力涵盖微孔沸石和粘土材料中不同分子动力学的相关问题,并强调对实际应用和基本方面都很重要的各种有趣特征。

更新日期:2021-05-11
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