ICCAS OpenIR
Different diffusion behavior of cyclic chains under confinement
Zhang, ZQ; Yang, XZ; Yang, MJ; Li, T; Kong, B
2004-04-27
Source PublicationPOLYMER
ISSN0032-3861
Volume45Issue:9Pages:3021-3026
AbstractMolecular dynamics simulations of merging process of two isolated cyclic chains and that of linear chains have been performed, in order to find the difference between the two kinds of chain in bulk and in vacuum, where surface of the system restrains thousands of configurations showing up. Analysis indicates that in such confinement the chain ends at most moments float on the surface layer, and their mobility is much larger than the mean value of all atoms in linear chains, or that in cyclic chains. Comparison of the merging processes of cyclic chains and their linear counterparts was intensively carried out by several means of analyzing the trajectory files in statics and in dynamics. It was found that the segments of cyclic chains showed almost the same behavior of motion with that of linear chains. This is different diffusion behavior from that in bulk systems, where the cyclic chain has much higher diffusion rate. This modeling therefore indicates that in these confined systems because of the surface energy, the end groups are involuntarily kept on the surface, and lost the capacity of leading chain reptation through the other polymer chains, which is possibly the origin that the difference of diffusion behavior between the linear chain and the cyclic chain in the bulk almost disappears in the case of the confinement. (C) 2004 Elsevier Ltd. All rights reserved.
KeywordLinear Chains Cyclic Chains Molecular Dynamics
DOI10.1016/j.polymer.2004.03.001
Indexed BySCI
Language英语
WOS IDWOS:000220768700019
PublisherELSEVIER SCI LTD
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/81668
Collection中国科学院化学研究所
Corresponding AuthorYang, XZ
AffiliationChinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, ZQ,Yang, XZ,Yang, MJ,et al. Different diffusion behavior of cyclic chains under confinement[J]. POLYMER,2004,45(9):3021-3026.
APA Zhang, ZQ,Yang, XZ,Yang, MJ,Li, T,&Kong, B.(2004).Different diffusion behavior of cyclic chains under confinement.POLYMER,45(9),3021-3026.
MLA Zhang, ZQ,et al."Different diffusion behavior of cyclic chains under confinement".POLYMER 45.9(2004):3021-3026.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, ZQ]'s Articles
[Yang, XZ]'s Articles
[Yang, MJ]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, ZQ]'s Articles
[Yang, XZ]'s Articles
[Yang, MJ]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, ZQ]'s Articles
[Yang, XZ]'s Articles
[Yang, MJ]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.