Effect of pore density on gas permeation through nanoporous graphene membranes

Nanoscale
Song WangDe-en Jiang

Abstract

Pore density is an important factor dictating gas separations through one-atom-thin nanoporous membranes, but how it influences the gas permeation is not fully understood. Here we use molecular dynamics (MD) simulations to investigate gas permeation through nanoporous graphene membranes with the same pore size (3.0 Å × 3.8 Å in dimensions) but varying pore densities (from 0.01 to 1.28 nm-2). We find that higher pore density leads to higher permeation per unit area of membrane for both CO2 and He, but the rate of the increase decreases greatly for CO2 at high pore densities. As a result, the per-pore permeance decreases for CO2 but remains relatively constant for He with the pore density, leading to a dramatic change in CO2/He selectivity. By separating the total flux into direct flux and surface flux, we find that He permeation is dominated by direct flux and hence the per-pore permeation rate is roughly constant with the pore density. In contrast, CO2 permeation is dominated by surface flux and the overall decreasing trend of the per-pore permeation rate of CO2 with the pore density can be explained by the decreasing per-pore coverage of CO2 on the feed side with the pore density. Our work now provides a complete picture of th...Continue Reading

References

Mar 1, 1985·Physical Review A: General Physics·W G Hoover
Feb 27, 1995·Physical Review Letters·R A AzizM R Moldover
Feb 4, 2006·Science·Haiqing LinRaghubir P Gupta
May 20, 2006·Science·Jason K HoltOlgica Bakajin
Jun 26, 2009·Journal of the American Chemical Society·Kyaw SintPetr Král
Dec 10, 2009·Nano Letters·De-en JiangSheng Dai
May 10, 2011·Science·Douglas L Gin, Richard D Noble
Jun 7, 2012·Nano Letters·David Cohen-Tanugi, Jeffrey C Grossman
Jun 28, 2012·ACS Applied Materials & Interfaces·Joshua Schrier
Sep 11, 2012·Nanotechnology·Guohui HuSandip Ghosal
Oct 9, 2012·Nature Nanotechnology·Steven P KoenigJ Scott Bunch
Oct 30, 2012·Langmuir : the ACS Journal of Surfaces and Colloids·Lee W Drahushuk, Michael S Strano
Dec 25, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Chengzhen SunNicolas G Hadjiconstantinou
Mar 24, 2015·Nature Nanotechnology·Sumedh P SurwadeShannon M Mahurin
May 20, 2015·Chemical Society Reviews·Gongping LiuNanping Xu
May 20, 2015·ACS Applied Materials & Interfaces·Ziqi TianDe-en Jiang
May 24, 2016·Advanced Materials·Zhikun ZhengXinliang Feng
Jan 13, 2018·Nature Communications·Li DingYury Gogotsi
Apr 14, 2018·Science·César MorenoAitor Mugarza

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Citations

Jan 4, 2021·Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association·Van Thuan LeElena-Niculina Dragoi
Aug 17, 2021·ACS Applied Materials & Interfaces·Alejandro RodriguezMing Hu

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