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

Internet

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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