Gas separation using graphene nanosheet: insights from theory and simulation

J Mol Model. 2020 Oct 28;26(11):322. doi: 10.1007/s00894-020-04581-4.

Abstract

The investigation of porous graphene, especially experimental research, is a challenging issue in related academic and technology and has become a hot topic in recent years. It is well known that the preparation of porous graphene is a difficult problem in experimental techniques. To prepare nanoporous graphene, much attention must focus on the quality of nanoporous structures and throughput array pores. Therefore, a comprehensive summary as much as possible has been made to provide a better understanding of the progress. A summary of synthesis techniques, the properties of nanoporous graphene membranes from the synthesis point of view, and potential applications of porous graphene and graphene oxide for gas separation on the basis of theoretical studies were given attention in this paper. Gas separation, including carbon dioxide capture, gas storage, natural gas sweetening, and flue gas purification through porous graphene, is of great interest. Porous graphene with narrow pore distribution provides exciting opportunities in gas separation processes.

Keywords: Functionalized graphene nanopores; Gas purification; Graphene nanopores; Graphene oxide; Membrane separation; Molecular dynamics (MD) simulation.

Publication types

  • Review