ICCAS OpenIR
A molecular model of the elastic behavior of polymethylene chains
Zhang, LX; Xia, A; Jiang, ZT; Zhao, DL
2001-08-03
Source PublicationMACROMOLECULAR THEORY AND SIMULATIONS
ISSN1022-1344
Volume10Issue:6Pages:651-655
AbstractIn 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.
Indexed BySCI
Language英语
WOS IDWOS:000170528700011
PublisherWILEY-V C H VERLAG GMBH
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77698
Collection中国科学院化学研究所
Corresponding AuthorZhang, LX
Affiliation1.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
Recommended Citation
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.
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