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Simulation of H(2)/CH(4) mixture permeation through MOF membranes using non-equilibrium molecular dynamics

Grand canonical Monte Carlo (GCMC) simulations are widely used with equilibrium molecular dynamics (EMD) to predict gas adsorption and diffusion in single-crystals of metal–organic frameworks (MOFs). Adsorption and diffusion data obtained from these simulations are then combined to predict gas perme...

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Detalles Bibliográficos
Autores principales:	Velioglu, Sadiye, Keskin, Seda
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6395021/ https://www.ncbi.nlm.nih.gov/pubmed/30931122 http://dx.doi.org/10.1039/c8ta10167a

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