ICCAS OpenIR
A molecular study on the reinforcement of polymethylene elastomers
Zhang, LX; Xia, AG; Wang, XH; Ye, GX; Zhao, DL
2002-10-01
Source PublicationEUROPEAN POLYMER JOURNAL
ISSN0014-3057
Volume38Issue:10Pages:2063-2068
AbstractMonte Carlo simulaitons are carried out on filled networks of polymethylene (PM), which are modeled as composites of PM chains and three-dimensional cubic lattices of filler particles. Calculations are carried out for PM chains with various chain lengths n and various cubic unit dimensions a. The elastic behavior is investigated by using a realistic rotational-isomeric-state (RIS) model and enumeration calculation method. The average conformations, such as a priori probability P-eta and the segmental orientation function (P-2(coszeta)) of PM chains are also calculated. In the process of tensile deformation, the a priori probability P-t increases with elongation ratio lambda, however, it decreases with increasing cubic unit dimensions a. The segmental orientation distribution function (P-2(cos zeta)) of deformed PM chains decreases with increasing cubic unit dimensions a, especially in the region of large deformation. Average Helmholtz free energy per bond becomes small when increasing cubic unit dimensions a, and average energy per bond becomes large when increasing cubic unit dimensions a. We find that the elastic force increases with elongation ratio for small lambda, and abruptly for large lambda. In the meantime, the energy contribution to elastic force is negative and significant. It is also shown that the elastic force and the energy contribution to elastic force is almost the same with various cubic unit dimensions a. The ratio f(u)/f ranges from -0.4 to -0.6 at T = 425 K. The reinforcement effects on the Helmholtz free energy (A) and energy (U) are important; however, the effect on the elastic force is insignificant. Our calculation may provide some insight into the macroscopic phenomena of rubber elasticity. (C) 2002 Elsevier Science Ltd. All rights reserved.
Indexed BySCI
Language英语
WOS IDWOS:000177434000020
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/78448
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.Wenzhou Normal Coll, Dept Phys, Wenzhou 325000, Peoples R China
3.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Polymer Phys Lab, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, LX,Xia, AG,Wang, XH,et al. A molecular study on the reinforcement of polymethylene elastomers[J]. EUROPEAN POLYMER JOURNAL,2002,38(10):2063-2068.
APA Zhang, LX,Xia, AG,Wang, XH,Ye, GX,&Zhao, DL.(2002).A molecular study on the reinforcement of polymethylene elastomers.EUROPEAN POLYMER JOURNAL,38(10),2063-2068.
MLA Zhang, LX,et al."A molecular study on the reinforcement of polymethylene elastomers".EUROPEAN POLYMER JOURNAL 38.10(2002):2063-2068.
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