We designed a series of porous graphene by drilling different numbers of carbon atom. Molecular dynamics simulations indicate that hydrogen and nitrogen could be separated effectively by porous graphene. The selectivity of hydrogen and nitrogen achieves 100% when the pore size is 0.3725 nm with ten atoms dug. Porous graphene is expected to have potential applications in gas separation and purification.
DU Huai-Liang
,
LI Xiao-Yi
. Molecular dynamics simulations for separation of H2/N2 by porous graphene[J]. Journal of University of Chinese Academy of Sciences, 2012
, (3)
: 312
-315
.
DOI: 10.7523/j.issn.2095-6134.2012.3.005
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