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Molecular Dynamics Simulation of Sorption of Gases in Polystyrene

✍ Scribed by Eslami, Hossein; Müller-Plathe, Florian

Book ID
119979147
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
123 KB
Volume
40
Category
Article
ISSN
0024-9297

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📜 SIMILAR VOLUMES

Molecular dynamics simulation of diffusi
Molecular dynamics simulation of diffusion and permeation of gases in polystyrene
✍ Farkhondeh Mozaffari; Hossein Eslami; Jalil Moghadasi 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 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