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Recent progress in molecular simulation of nanoporous graphene membranes for gas separation

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Abstract

If an ideal membrane for gas separation is to be obtained, the following three characteristics should be considered: the membrane should be as thin as possible, be mechanically robust, and have welldefined pore sizes. These features will maximize its solvent flux, preserve it from fracture, and guarantee its selectivity. Graphene is made up of a hexagonal honeycomb lattice of carbon atoms with sp 2 hybridization state forming a one-atom-thick sheet of graphite. Following conversion of the honeycomb lattices into nanopores with a specific geometry and size, a nanoporous graphene membrane that offers high efficiency as a separation membrane because of the ultrafast molecular permeation rate as a result of its one-atom thickness is obtained. Applications of nanoporous graphene membranes for gas separation have been receiving remarkably increasing attention because nanoporous graphene membranes show promising results in this area. This review focuses on the recent advances in nanoporous graphene membranes for applications in gas separation, with a major emphasis on theoretical works. The attractive properties of nanoporous graphene membranes introduce make them appropriate candidates for gas separation and gas molecular-sieving processes in nanoscale dimensions.

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Authors and Affiliations

  1. Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran, 14155-6455, Iran

    S. Mahmood Fatemi

  2. Department of Materials Science and Engineering, Sharif University of Technology, Tehran, 11365-8639, Iran

    Aminreza Baniasadi

  3. Department of Chemistry, K. N. Toosi University of Technology - Shariyati Ave, Tehran, 15418-49611, Iran

    Mahrokh Moradi

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  1. S. Mahmood Fatemi
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  2. Aminreza Baniasadi
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Fatemi, S.M., Baniasadi, A. & Moradi, M. Recent progress in molecular simulation of nanoporous graphene membranes for gas separation. Journal of the Korean Physical Society 71, 54–62 (2017). https://doi.org/10.3938/jkps.71.54

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