Super Carbonaceous Graphene-based structure as a gas separation membrane: A Non-Equilibrium Molecular Dynamics Investigation

Published on Sep 1, 2020in Composites Part B-engineering7.635
· DOI :10.1016/J.COMPOSITESB.2020.108140
Sebastian Muraru2
Estimated H-index: 2
(Politehnica University of Bucharest),
Mariana Ionita16
Estimated H-index: 16
(Politehnica University of Bucharest)
Abstract Developing clean energy technologies has become a very important topic for research communities worldwide. An alternative to fossil fuels, hydrogen-based fuels display their own weaknesses such as the poisoning of the precious metal catalyst which controls the reaction. Thus, we present an investigation relying on non-equilibrium molecular dynamics (NEMD) of a complex multi-layer graphene separation membrane prototype, with its interlayer distance kept constant by graphene walls and the purpose of gradually separating H2 molecules out of a mixture containing H2, CH4, CO2, CO, N2 and H2O molecules. We have found the design to be capable of high selectivity and have determined the permeance to hydrogen of the setup to be higher than several recently developed polymer and graphene-based membranes. Although too early to expect it to be built in a laboratory setting, we believe similar structures will be available in the future.
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