Entropic selectivity in air separation via a bilayer nanoporous graphene membrane

Wang, Song; Dai, Sheng; Jiang, De-en

doi:10.1039/c9cp02670c

Title: Entropic selectivity in air separation via a bilayer nanoporous graphene membrane

Journal Article · Mon Jul 01 00:00:00 EDT 2019 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/c9cp02670c· OSTI ID:1577566

Wang, Song ^[1];

^[2];

^[1]

Univ. of California, Riverside, CA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Membranes represent an energy-efficient technology for air separation, but it is difficult to control the pore size to separate N₂ and O₂ due to their similar kinetic diameters. In this paper we demonstrate by molecular dynamics simulations that a bilayer nanoporous graphene membrane with continuously tunable pore sizes by the offset between the two graphene layers can achieve O₂/N₂ selectivity of up to 26 with a permeance of over 10⁵ GPU (gas permeation unit). We find that entropic selectivity is the main reason behind the high selectivity via the tumbling movement of the skinnier and shorter O₂ molecules entering and passing through the elliptic-cylinder-shaped nanopores of the bilayer membrane. Such motion is absent in the single-layer graphene membrane with pores of similar size and shape which yields an O₂/N₂ selectivity of only 6 via molecular sieving alone. Hence the bilayer nanoporous graphene membrane provides a novel way to enhance the entropic selectivity for gas separation by controlling both the pore size and the 3D pore shape.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1577566

Alternate ID(s):: OSTI ID: 1542534

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 21, Issue 29; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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