PREDICTION OF THE PROPERTIES OF MODEL POLYMER-SOLUTIONS AND BLENDS

被引：83

作者：

GHONASGI, D ^{[1
]}

CHAPMAN, WG ^{[1
]}

机构：

[1] RICE UNIV,DEPT CHEM ENGN,HOUSTON,TX 77251

来源：

AICHE JOURNAL | 1994年 / 40卷 / 05期

关键词：

D O I：

10.1002/aic.690400514

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

In this work we present an extension of the statistical associating fluid theory (SAFT) developed for associating fluids by applying this extension to polymer solutions and blends. The polymer molecule is modeled as a flexible chain made of bonded spherical segments. These segments interact with the Lennard-Jones potential. The extension of SAFT is compared with molecular simulation results for polymer solutions and blends. Since the same force model is used in the simulation and theory, this comparison is a strong test of the assumptions made in deriving the theory. Results are presented for pure polymers of up to 50 segments long, polymer solutions of a polymer 20 segments long dissolved in its own monomer, and blends of polymers of 25 segments each. The theory produces results that are in better agreement with simulation results than the Flory-Huggins theory for the systems studied.

引用

页码：878 / 887

页数：10

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