Modelling carbon membranes for gas and isotope separation

Jiao, Yan, Du, Aijun, Hankel, Marlies, & Smith, Sean C. (2013) Modelling carbon membranes for gas and isotope separation. Physical Chemistry Chemical Physics, 15(14), pp. 4832-4843.

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Molecular modelling has become a useful and widely applied tool to investigate separation and diffusion behavior of gas molecules through nano-porous low dimensional carbon materials, including quasi-1D carbon nanotubes and 2D graphene-like carbon allotropes. These simulations provide detailed, molecular level information about the carbon framework structure as well as dynamics and mechanistic insights, i.e. size sieving, quantum sieving, and chemical affinity sieving. In this perspective, we revisit recent advances in this field and summarize separation mechanisms for multicomponent systems from kinetic and equilibrium molecular simulations, elucidating also anomalous diffusion effects induced by the confining pore structure and outlining perspectives for future directions in this field.

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31 citations in Web of Science®

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ID Code: 59648
Item Type: Journal Article
Refereed: Yes
DOI: 10.1039/c3cp44414g
ISSN: 1463-9084
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 The Owner Societies
Deposited On: 05 May 2013 23:55
Last Modified: 12 Jun 2013 15:46

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