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Molecular dynamics simulation of nanoparticles diffusion in dense gases and liquids

โœ Scribed by V.Ya. Rudyak; G.V. Kharlamov; A.A. Belkin


Book ID
117129434
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
125 KB
Volume
31
Category
Article
ISSN
0021-8502

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Molecular dynamics simulation of diffusi
โœ Farkhondeh Mozaffari; Hossein Eslami; Jalil Moghadasi ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 496 KB

Molecular dynamics simulations are performed to study the diffusion and permeation of gases, including argon, nitrogen, methane, carbon dioxide, and propane, in polystyrene over a wide range of temperatures. A jumping mechanism is observed for the diffusion of diffusants in polymer. The calculated d