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Molecular dynamics simulation of diffusivity

โœ Scribed by Liu, Juanfang ;Zeng, Danling ;Li, Qin ;Gao, Hong


Book ID
107476784
Publisher
Higher Education Press and Springer
Year
2008
Tongue
English
Weight
137 KB
Volume
2
Category
Article
ISSN
1673-7393

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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