Integral equation theory for two-dimensional polymer melts

被引:7
|
作者
Yethiraj, A [1 ]
Sung, BJ
Lado, F
机构
[1] Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USA
[2] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA
[3] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2005年 / 122卷 / 09期
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.1857520
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
The polymer reference interaction site model theory is investigated for two-dimensional polymer melts composed of freely-jointed hard disk chains and tangent-disk rods. Exact results for the intramolecular pair correlation functions are input into the theory, and predictions of the theory for the intermolecular pair correlation functions are tested via comparison with simulation. The theory is not as accurate for this system as it is for three-dimensional polymer melts, and the quantitative predictions are not good except at the highest area fractions. Possible reasons for the deficiency in the theory are discussed. (C) 2005 American Institute of Physics.
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页数:5
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