Phase behavior of polymer-solvent mixtures

被引：6
|
作者：
Gromov, DG [1 ]
de Pablo, JJ [1 ]
机构：
[1] Univ Wisconsin, Dept Chem Engn, Madison, WI 53706 USA
来源：
FLUID PHASE EQUILIBRIA | 1998年 / 150卷
关键词：
molecular simulation; vapor-liquid equilibria; polymers; supercritical solvents;
D O I：
10.1016/S0378-3812(98)00345-8
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
Phase equilibria for mixtures of a polymer and a supercritical solvent are investigated by means of Expanded Gibbs Ensemble simulations. Our results indicate that such systems exhibit both lower and upper critical solution temperature (LCST and UCST) phenomena. Closed-loop miscibility diagrams are observed for systems with no specific preferences for like and unlike components. The results of our simulations for Lennard-Jones polymer-solvent mixtures are in qualitative agreement with experimental data for polymers in supercritical solvents. (C) 1998 Elsevier Science B.V. All rights reserved.
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页码：657 / 665
页数：9
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