Simple equation of state for hard-sphere chains

被引：12
|
作者：
Sadus, RJ [1 ]
机构：
[1] Swinburne Univ Technol, Sch Informat Technol, Comp Simulat & Phys Applicat Grp, Hawthorn, Vic 3122, Australia
来源：
AICHE JOURNAL | 1999年 / 45卷 / 11期
关键词：
D O I：
10.1002/aic.690451118
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
A simplified thermodynamic perturbation theory-dimer framework is used to derive air equation of state for hard-sphere chains. The accuracy of the equation is tested against simulation data for hard-sphere chains containing rtp to 201 hard-sphere segments, A comparison is also presented with the results of other more c sophisticated hard-sphere chain equations of state. The equation reproduces die compressibility factor of hard-sphere chains obtained from molecular simulation with a reasonable degree of accuracy. The equation cart potentially form the theoretical backbone of an equation of state for real chainlike molecules. From a practical perspective, if has the advantage of being considerably simpler than alternative hard-sphere chain equations.
引用
收藏
页码：2454 / 2457
页数：4
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