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Nanofluidics for Gas Separation Applications: The Molecular Dynamics Simulation Perspective
Separation and Purification Reviews ( IF 5.4 ) Pub Date : 2021-05-29 , DOI: 10.1080/15422119.2021.1918720
Majid Shahbabaei 1 , Daejoong Kim 1
Affiliation  

ABSTRACT

Since past decades, membrane science and technology have received great attention in academia and practice because of their potential for industrial applications. A diverse range of industrial applications has been benefited from this technology thanks to the advances in membrane science. Membranes are of paramount importance in chemical technology and play a key role in a broad range of applications.Membranes incorporating nanosize pores or channels have a tremendous contribution to membrane science discipline, particularly in gas separation technologies. Performing pore-level modeling with the help of computer simulation opens a route to membrane characterization in high accuracy and less observational. By utilizing molecular dynamics simulations, one can provide a fundamental understanding of the static and dynamic features of membranes at a molecular scale. In this work, we have reviewed the recent advances in nanofluidics for gas separation applications, with a major focus on the theoretical literature discussing the gas molecular transport mechanisms through the carbon-based nanopores. Describing the nanofluidics systems, solid-state nanopores, fabrication of nanofluidic devices, pore generation on graphene nanosheets, and pore-level flow modeling, this article expects to provide a platform for understanding the permeation and separation of gases across a variety of nanopores and attracting more attention of audiences from industry and academia.



中文翻译:

用于气体分离应用的纳米流体:分子动力学模拟视角

摘要

过去几十年来,膜科学技术因其在工业应用中的潜力而受到学术界和实践界的极大关注。由于膜科学的进步,各种工业应用都从这项技术中受益。膜在化学技术中至关重要,在广泛的应用中发挥着关键作用。包含纳米尺寸孔或通道的膜对膜科学学科有巨大贡献,特别是在气体分离技术中。在计算机模拟的帮助下进行孔隙级建模开辟了一条以高精度和较少观察性进行膜表征的途径。通过利用分子动力学模拟,人们可以在分子尺度上提供对膜的静态和动态特征的基本理解。在这项工作中,我们回顾了用于气体分离应用的纳米流体的最新进展,主要关注讨论通过碳基纳米孔的气体分子传输机制的理论文献。本文描述了纳米流体系统、固态纳米孔、纳米流体器件的制造、石墨烯纳米片上的孔生成以及孔级流动建模,希望为理解气体在各种纳米孔中的渗透和分离以及吸引更多来自工业界和学术界的观众的关注。主要关注讨论通过碳基纳米孔的气体分子传输机制的理论文献。本文描述了纳米流体系统、固态纳米孔、纳米流体器件的制造、石墨烯纳米片上的孔生成以及孔级流动建模,希望为理解气体在各种纳米孔中的渗透和分离以及吸引更多来自工业界和学术界的观众的关注。主要关注讨论通过碳基纳米孔的气体分子传输机制的理论文献。本文描述了纳米流体系统、固态纳米孔、纳米流体器件的制造、石墨烯纳米片上的孔生成以及孔级流动建模,希望为理解气体在各种纳米孔中的渗透和分离以及吸引更多来自工业界和学术界的观众的关注。

更新日期:2021-05-29
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