Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
We theoretically investigate graphene layers, proposing them as membranes of subnanometer size suitable for CH4/N2 separation and gas uptake. The observed potential energy surfaces, representing the intermolecular interactions within the CH4/N2 gaseous mixtures and between these and the graphene lay...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2019-06-01
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Series: | Frontiers in Chemistry |
Subjects: | |
Online Access: | https://www.frontiersin.org/article/10.3389/fchem.2019.00386/full |