Bilayer Graphene Membrane for Hydrogen Separation: Insights from Molecular Dynamics

摘要

In this paper, we study the hydrogen separation performance of bilayer graphene by molecular dynamics simulations. When the interlayer spacing between two grapheme sheets is larger than 5 A, the impurities gas molecules can pass through the membrane. When the interlayer spacing is 5 A, the permeance of hydrogen can reach 4.2×10~(-4) mol s~(-1) m~(-2) Pa~(-1), which is far higher than the industrial acceptable permeance. With the exceptionally hydrogen selectivity over the other gases, we can get the conclusion that the optimal interlayer spacing for hydrogen separation is 5 A. These founding may be useful for designing of gas separation membrane with excellent performance.