Molecular simulations of the solubility
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Peyman Memari; Véronique Lachet; Bernard Rousseau
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Article
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2010
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Elsevier Science
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English
⚖ 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