Monte Carlo study of the second virial coefficient and statistical exponent of star polymers with large numbers of branches

被引:8
作者
Shida, K [1 ]
Ohno, K
Kimura, M
Kawazoe, Y
机构
[1] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan
[2] Japan Adv Inst Sci & Technol, Tatsunokuchi, Ishikawa 90121, Japan
关键词
D O I
10.1021/ma990746l
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Computer simulations on the self- and mutual-avoiding effects of two star polymers in a good solvent are reported where the number f of the branches has been extended to the region where no experimental results are yet available. A simple and efficient Monte Carlo (MC) sampling technique was used for the lattice-model simulations. Calculations were performed for 8- to 24-arm star polymers, which complement our previous work and also Rubio et al.'s off-lattice MC simulations. The radius of gyration, the total number of configurations, and its exponent gamma(f) are evaluated. The values of gamma(f) obtained are consistent with the large f behavior similar to f(3/2) predicted by Ohno (Phys. Rev. 1989, A40, 1424). The pair-distribution function, the second virial coefficient, and the penetration function are also evaluated. The first order epsilon-expansion, which is a naive approximation of the penetration function, has been known to become increasingly inaccurate for large f. The results of the simulations give further confirmation of the inaccuracy.
引用
收藏
页码:7655 / 7662
页数:8
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