ICCAS OpenIR
Conformational transition characterization of glass transition behavior of polymers
Wu, Rongliang; Kong, Bin; Yang, Xiaozhen
2009-07-03
Source PublicationPOLYMER
ISSN0032-3861
Volume50Issue:14Pages:3396-3402
AbstractThe conformational transition behavior of polymer in the amorphous state has been investigated through molecular dynamics simulations across the glass transition temperature (T(g)). We find that the conformational transition, a localized and short time dynamics feature, crosses over different barrier heights when the system transforms from the molten state into the glass state and the barrier height in the glass state is markedly lower than that above T(g). In addition to the overall transition behavior, the specific transitions between the rotational isomeric states (RIS) g(+), t(-), t(+) and g(-) are also investigated in detail. The populations of these specific transitions undergo considerable changes when the temperature decreases; meanwhile, the larger transition rates of the ending torsions get diminished. Besides the rate, the rotation degrees of the dihedrals during the transitions also change their distributions tremendously, through T(g), below which most of the larger transition angles (50-100 degrees) were inhibited remaining those sharply around 30 degrees. This possibly explains why below T(g) the conformational transition process has a lower effective barrier. (C) 2009 Elsevier Ltd. All rights reserved.
KeywordConformational Transition Glass Transition Poly(Vinylidene Fluoride)
DOI10.1016/j.polymer.2009.05.013
Indexed BySCI
Language英语
WOS IDWOS:000267859700043
PublisherELSEVIER SCI LTD
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/67190
Collection中国科学院化学研究所
Corresponding AuthorYang, Xiaozhen
AffiliationChinese Acad Sci, State Key Lab Polymer Phys & Chem, Joint Lab Polymer Sci & Mat, Inst Chem,BNLMS, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Wu, Rongliang,Kong, Bin,Yang, Xiaozhen. Conformational transition characterization of glass transition behavior of polymers[J]. POLYMER,2009,50(14):3396-3402.
APA Wu, Rongliang,Kong, Bin,&Yang, Xiaozhen.(2009).Conformational transition characterization of glass transition behavior of polymers.POLYMER,50(14),3396-3402.
MLA Wu, Rongliang,et al."Conformational transition characterization of glass transition behavior of polymers".POLYMER 50.14(2009):3396-3402.
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
[Wu, Rongliang]'s Articles
[Kong, Bin]'s Articles
[Yang, Xiaozhen]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wu, Rongliang]'s Articles
[Kong, Bin]'s Articles
[Yang, Xiaozhen]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wu, Rongliang]'s Articles
[Kong, Bin]'s Articles
[Yang, Xiaozhen]'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.