CAS OpenIR  > 研究所(批量导入)
Two mechanisms of polymer chain crystallization within nanoglobule
Wang, Simiao1; Kong, Bin1; Nies, Erik3; Li, Xiaoxia2; Yang, Xiaozhen1
Source PublicationPOLYMER
AbstractIn molecular dynamics (MD) simulation, the crystallization behavior of a polymer nanoglobule was studied as a function of temperature. The crystallinity in the nanoglobule was determined by using the site order parameter method [Macromolecules, 2008, 41: 6733]. The isothermal crystallization kinetics was determined at different temperatures and the rate of crystallization, K-c, and the Avrami exponents, n, were determined as a function of temperature. The typical bell-shape curve of the crystallization rate vs. temperature was observed to be asymmetric and very different from the symmetric bell-shaped behavior seen in bulk crystallization. This can be attributed to a lower chain diffusion activation free energy near the surface of the nanoglobule than in bulk. The obtained Avrami exponents n are non-integer and vary with temperature, ranging from close to n = 1 at the lowest investigated temperatures and reaching n = 4 for the highest investigated crystallization temperatures. A detailed morphological and statistical analysis of the MD snapshots and trajectories suggests that at least two kinds of crystallization environments and corresponding mechanisms are active: one in the (similar to 3 nm) surface layer and one in the inner part of the nanoglobule. The two crystallization mechanisms were used in an approximate binary model providing a satisfactory prediction of the observed overall Avrami exponents. (c) 2013 Elsevier Ltd. All rights reserved.
KeywordPolymer Crystallization Nanoglobule Molecular Dynamics
WOS HeadingsScience & Technology ; Physical Sciences
Indexed BySCI
WOS Research AreaPolymer Science
WOS SubjectPolymer Science
WOS IDWOS:000321538000030
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Affiliation1.Chinese Acad Sci, Inst Chem, Natl Lab Mol Sci, Polymer Phys & Chem Lab, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase & Complex Syst, Beijing 100190, Peoples R China
3.Katholieke Univ Leuven, Dept Chem, Div Polymer Chem, B-3001 Heverlee, Belgium
Recommended Citation
GB/T 7714
Wang, Simiao,Kong, Bin,Nies, Erik,et al. Two mechanisms of polymer chain crystallization within nanoglobule[J]. POLYMER,2013,54(15):4030-4036.
APA Wang, Simiao,Kong, Bin,Nies, Erik,Li, Xiaoxia,&Yang, Xiaozhen.(2013).Two mechanisms of polymer chain crystallization within nanoglobule.POLYMER,54(15),4030-4036.
MLA Wang, Simiao,et al."Two mechanisms of polymer chain crystallization within nanoglobule".POLYMER 54.15(2013):4030-4036.
Files in This Item:
File Name/Size DocType Version Access License
Two mechanisms of po(705KB)期刊论文出版稿限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Wang, Simiao]'s Articles
[Kong, Bin]'s Articles
[Nies, Erik]'s Articles
Baidu academic
Similar articles in Baidu academic
[Wang, Simiao]'s Articles
[Kong, Bin]'s Articles
[Nies, Erik]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Wang, Simiao]'s Articles
[Kong, Bin]'s Articles
[Nies, Erik]'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.