A new united atom force field for α-olefins

被引：79

作者：

Nath, SK ^{[1
]}

Banaszak, BJ ^{[1
]}

de Pablo, JJ ^{[1
]}

机构：

[1] Univ Wisconsin, Dept Chem Engn, Madison, WI 53706 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2001年 / 114卷 / 08期

关键词：

D O I：

10.1063/1.1343487

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A new united-atom force field is proposed for alpha -olefins. The proposed force field is used to study vapor-liquid equilibria for pure components and binary mixtures. Results of phase equilibria simulations are found to be in good agreement with available experimental data. (C) 2001 American Institute of Physics.

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收藏

页码：3612 / 3616

页数：5

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