Dynamic and static properties of polyoxymethylene chains
Zhang, LX; Xia, A; Zhao, DL
AbstractThe dynamics and conformational-dependent properties of polyoxymethylene (POM) chains are studied using the modified bond-fluctuation model and the rotational-isomeric state model. In our bond-fluctuation model, a Kuhnian bond includes four carbon-oxygen bonds. Each Kuhnian bond may have different energy, and the Kuhnian bond energy is calculated using the tetrahedral lattice model as it gives a reasonable approximation to the carbon-oxygen backbone bond of the POM chain. Our statistical mechanics properties of chains are in good agreement with the theoretical results. The relaxation times tau(1) increase with chain length N by a power law of the form tau(1)(N) approximate to N-2 in the absence of excluded volume and tau(1)(N) approximate to N-2.16 in the presence of excluded volume, and the diffusion coefficients D behave as D approximate to 1/N in the absence and presence of excluded volume. (C) 1999 Elsevier Science Ltd. All rights reserved.
KeywordMonte Carlo Simulation Relaxation Time Bond-fluctuation Model Static Properties
Indexed BySCI
WOS IDWOS:000081882900019
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Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Corresponding AuthorZhang, LX
Affiliation1.Zhejiang Univ, Dept Phys, Hangzhou 310028, Peoples R China
2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, LX,Xia, A,Zhao, DL. Dynamic and static properties of polyoxymethylene chains[J]. EUROPEAN POLYMER JOURNAL,1999,35(10):1911-1917.
APA Zhang, LX,Xia, A,&Zhao, DL.(1999).Dynamic and static properties of polyoxymethylene chains.EUROPEAN POLYMER JOURNAL,35(10),1911-1917.
MLA Zhang, LX,et al."Dynamic and static properties of polyoxymethylene chains".EUROPEAN POLYMER JOURNAL 35.10(1999):1911-1917.
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