Elastic behavior of non-Gaussian polymethylene chains
Zhang, LX; Jin, JS; Ye, GX; Zhao, DL
AbstractIn 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.
KeywordElastic Behavior Non-local Interaction Monte Carlo Simulation Ris Model
Indexed BySCI
WOS IDWOS:000177434000018
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Document Type期刊论文
Corresponding AuthorZhang, LX
Affiliation1.Zhejiang Univ, Dept Phys, Hangzhou 310028, Peoples R China
2.Chinese Acad Sci, Ctr Mol Sci, Polymer Phys Lab, Beijing 100080, Peoples R China
Recommended Citation
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.
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