A Monte Carlo study of the glass transition of polymethylene
Zhang, LX; Xia, AG; Xu, JM; Zhao, DL
AbstractBy this Monte Carlo simulation we studied the glass transition of polymethylene using the modified bond-fluctuation model combined with considering the rotational-isomeric state model. The configurational properties in the polymethylene (PM) melts, such as the mean length, the mean energy per bond and the mean square radius of gyration were monitored. We found that the chains cannot be in the equilibrium states after a very long time when the temperature of the dense PM chains decreases to 120 K. As the melt vitrifies, these quantities gradually become independent of temperature in a narrow range. The glass transition temperature T-g depends upon the chain length of PM chains, and extrapolation to (CH2)(infinity) gives T-g(infinity) = 212 K. The dynamics in the PM melts was also studied. It was found that the diffusion coefficients can be described by the Vogel-Fulcher law and the Vogel-Fulcher temperature T-0 is 124 K. This method may be used to investigate the glass transition of other real polymer chains.
KeywordMonte Carlo Simulation Glass Transition Polymethylene
Indexed BySCI
WOS IDWOS:000083585100004
Citation statistics
Cited Times:3[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, Polymer Phys Lab, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, LX,Xia, AG,Xu, JM,et al. A Monte Carlo study of the glass transition of polymethylene[J]. CHINESE JOURNAL OF POLYMER SCIENCE,1999,17(6):543-549.
APA Zhang, LX,Xia, AG,Xu, JM,&Zhao, DL.(1999).A Monte Carlo study of the glass transition of polymethylene.CHINESE JOURNAL OF POLYMER SCIENCE,17(6),543-549.
MLA Zhang, LX,et al."A Monte Carlo study of the glass transition of polymethylene".CHINESE JOURNAL OF POLYMER SCIENCE 17.6(1999):543-549.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhang, LX]'s Articles
[Xia, AG]'s Articles
[Xu, JM]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhang, LX]'s Articles
[Xia, AG]'s Articles
[Xu, JM]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhang, LX]'s Articles
[Xia, AG]'s Articles
[Xu, JM]'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.