Elastic behavior of non-Gaussian polymethylene chains

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	Elastic behavior of non-Gaussian polymethylene chains
	Zhang, LX ; Jin, JS ; Ye, GX ; Zhao, DL
刊名	EUROPEAN POLYMER JOURNAL
	2002-10-01
卷号	38 期号:10 页码:2051-2056
关键词	Elastic Behavior Non-local Interaction Monte Carlo Simulation Ris Model
ISSN号	0014-3057
英文摘要	In this paper, elastic behaviors of non-Gaussian polymethylene (PM) chains with chain length N = 100 are investigated by rotational isomeric state model. Here the tetrahedral lattice of PM chain and the non-local interaction of Sutherland potential are adopted. In the metropolis movement of PM chain, a four-bond movement model is used. The average energy and average Helmholtz free energy with various elongation ratios lambda, are calculated by Monte Carlo simulation method. The average energy increases with elongation ratio lambda, and the average Helmholtz free energy decreases with elongation ratio lambda. The elastic force f and the energy contribution to elastic force f(u) can be obtained from f = partial derivative/partial derivativer and f = partial derivative/partial derivativer. We find that the elastic force f increases with elongation ratio lambda and the energy contribution f(u) decreases with elongation ratio lambda, and f(u) is less than zero. The ratio f(u)/f is close to -0.21 for lambda less than or equal to 1.25, and -0.04 to -0.35 for lambda > 1.25 at T = 364 K. In our calculation, the rubber elasticity may be discussed in terms of the chemical structure of polymer chains. (C) 2002 Elsevier Science Ltd. All rights reserved.
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000177434000018
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/78307]
专题	中国科学院化学研究所
通讯作者	Zhang, LX
作者单位	1.Zhejiang Univ, Dept Phys, Hangzhou 310028, Peoples R China 2.Chinese Acad Sci, Ctr Mol Sci, Polymer Phys Lab, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Zhang, LX,Jin, JS,Ye, GX,et al. Elastic behavior of non-Gaussian polymethylene chains[J]. EUROPEAN POLYMER JOURNAL,2002,38(10):2051-2056.
APA	Zhang, LX,Jin, JS,Ye, GX,&Zhao, DL.(2002).Elastic behavior of non-Gaussian polymethylene chains.EUROPEAN POLYMER JOURNAL,38(10),2051-2056.
MLA	Zhang, LX,et al."Elastic behavior of non-Gaussian polymethylene chains".EUROPEAN POLYMER JOURNAL 38.10(2002):2051-2056.