Computational and physical performance of a modified PC-SAFT equation of state for highly asymmetric and associating mixtures

被引：236
|
作者：
von Solms, N [1 ]
Michelsen, ML [1 ]
Kontogeorgis, GM [1 ]
机构：
[1] Tech Univ Denmark, Dept Chem Engn, SEP, IVC,Ctr Phase Equilibria & Separat Proc, DK-2800 Lyngby, Denmark
来源：
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH | 2003年 / 42卷 / 05期
关键词：
D O I：
10.1021/ie020753p
中图分类号：
TQ [化学工业];
学科分类号：
0817 ;
摘要：
Two modifications to perturbed-chain statistical associating fluid theory are proposed which simplify the calculation of phase-equilibrium properties for nonassociating and associating systems, polymers, and simple molecules without loss of accuracy. A simple linear extrapolation scheme is proposed to obtain parameters for linear alkanes up to polyethylene. It is shown that computing times are greatly reduced using these modifications and compare favorably with traditional equations of state for nonassociating and associating systems.
引用
收藏
页码：1098 / 1105
页数：8
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