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Sorption, Structure and Dynamics of CO(2) and Ethane in Silicalite at High Pressure: A Combined Monte Carlo and Molecular Dynamics Simulation Study

Silicalite is an important nanoporous material that finds applications in several industries, including gas separation and catalysis. While the sorption, structure, and dynamics of several molecules confined in the pores of silicalite have been reported, most of these studies have been restricted to...

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Detalles Bibliográficos
Autores principales: Gautam, Siddharth, Liu, Tingting, Cole, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6337235/
https://www.ncbi.nlm.nih.gov/pubmed/30597869
http://dx.doi.org/10.3390/molecules24010099