化工学报Issue(8)：3026-3031,6.DOI:10.3969/j.issn.0438-1157.2014.08.025
多孔石墨烯气体分离膜分子渗透机理
Molecular permeation in nanoporous graphene gas separation membranes
摘要
Abstract
A molecular dynamics simulation was performed to probe the mechanism of molecular permeation through nanoporous graphene gas separation membranes. The investigation involves 4 different gas molecules (He, H2, N2 and CH4) permeating 9 graphene nanopores with different sizes. The results show that the permeation flux depends not only on the kinetic parameters of molecules, i.e. molecular mass and kinetic diameter, but also on the adsorption of molecules on the surface of graphene membrane. Apart from the permeation free of interactions with the graphene surface, the adsorption layer composed of molecules with high densities on the graphene surface provides an additional way for molecular permeation, increasing the permeation flux as the molecular adsorption increases. In addition, the permeation flux of H2 molecules increases linearly with the pressure for different graphene nanopores.关键词
分离/渗透/分子模拟/膜Key words
separation/permeation/molecular simulation/membrane分类
化学化工引用本文复制引用
孙成珍,张锋,柳海,白博峰..多孔石墨烯气体分离膜分子渗透机理[J].化工学报,2014,(8):3026-3031,6.基金项目
国家自然科学基金创新群体项目(51121092)。@@@@supported by the National Natural Science Foundation of China for Creative Research Groups (51121092) （51121092）
