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Issue 38, 2012
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Methane-selective nanoporous graphene membranes for gas purification

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Abstract

The capability of functionalized graphene nanopores to efficiently separate methane from air is analyzed using density functional theory. We study the interaction between selected gas molecules and two finite model pores. Saddle point energies of the activated complexes are used to estimate transmission probabilities and selectivities as a function of temperature. We account for geometry distortions caused by the transient gas molecules and discuss the applicability and limitations of descriptions based on “molecular size” for the judgement of quasi-two-dimensional membranes.

Graphical abstract: Methane-selective nanoporous graphene membranes for gas purification

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Publication details

The article was received on 06 Jun 2012, accepted on 30 Jul 2012 and first published on 30 Jul 2012


Article type: Paper
DOI: 10.1039/C2CP41889D
Phys. Chem. Chem. Phys., 2012,14, 13292-13298

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    Methane-selective nanoporous graphene membranes for gas purification

    A. W. Hauser and P. Schwerdtfeger, Phys. Chem. Chem. Phys., 2012, 14, 13292
    DOI: 10.1039/C2CP41889D

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