Molecular Dynamics of CH(4)/N(2) 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 CH(4)/N(2) separation and gas uptake. The observed potential energy surfaces, representing the intermolecular interactions within the CH(4)/N(2) gaseous mixtures and between these and the grap...

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Detalhes bibliográficos
Publicado no:Front Chem
Main Authors: Vekeman, Jelle, Faginas-Lago, Noelia, Lombardi, Andrea, Sánchez de Merás, Alfredo, García Cuesta, Inmaculada, Rosi, Marzio
Formato: Artigo
Idioma:Inglês
Publicado em: Frontiers Media S.A. 2019
Assuntos:
Chemistry
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6557170/
https://ncbi.nlm.nih.gov/pubmed/31214569
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00386
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