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Temperature Dependence of Gas Transport in Polymer Melts: Molecular Dynamics Simulations of CO 2 in Polyethylene

✍ Scribed by van der Vegt, N. F. A.


Book ID
121186559
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
209 KB
Volume
33
Category
Article
ISSN
0024-9297

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Molecular simulations of the solubility
✍ Peyman Memari; VΓ©ronique Lachet; Bernard Rousseau πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 487 KB

We have employed Monte Carlo simulations in the osmotic ensemble to study the solubility of three different gases (N 2 , CH 4 , CO 2 ) in polyethylene. The simulations are performed at temperatures below the polymer melting point. Although under such conditions, polyethylene is in a semicrystalline