A molecular model of the elastic behavior of polymethylene chains

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	A molecular model of the elastic behavior of polymethylene chains
	Zhang, LX ; Xia, A ; Jiang, ZT ; Zhao, DL
刊名	MACROMOLECULAR THEORY AND SIMULATIONS
	2001-08-03
卷号	10 期号:6 页码:651-655
ISSN号	1022-1344
英文摘要	In this paper, the elastic behavior of a polymethylene (PM) chain is investigated by using a realist rotational-isomeric-state (RIS) model. In our calculation, the non-local interactions between pairs of segments in polymethylene chain are also considered, and the Lennard-Jones (L-J) potential function is adopted Chain dimensions and thermodynamics statistical properties PM chains with various elongation ratios lambda are calculated. We find, that the elastic force increases slowly with elongation ratio for small lambda, and abruptly for large lambda. In the meantime, the energy contribution to elastic force, is negative and significant, especially for large lambda. Our calculations may provide some insight into the macroscopic phenomena of rubber elasticity.
语种	英语
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000170528700011
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/77697]
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, Inst Chem, Ctr Mol Sci, Polymer Phys Lab, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Zhang, LX,Xia, A,Jiang, ZT,et al. A molecular model of the elastic behavior of polymethylene chains[J]. MACROMOLECULAR THEORY AND SIMULATIONS,2001,10(6):651-655.
APA	Zhang, LX,Xia, A,Jiang, ZT,&Zhao, DL.(2001).A molecular model of the elastic behavior of polymethylene chains.MACROMOLECULAR THEORY AND SIMULATIONS,10(6),651-655.
MLA	Zhang, LX,et al."A molecular model of the elastic behavior of polymethylene chains".MACROMOLECULAR THEORY AND SIMULATIONS 10.6(2001):651-655.