ICCAS OpenIR
A Monte Carlo study of the glass transition of polymethylene
Zhang, LX; Xia, AG; Xu, JM; Zhao, DL
1999
Source PublicationCHINESE JOURNAL OF POLYMER SCIENCE
ISSN0256-7679
Volume17Issue:6Pages:543-549
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
Language英语
WOS IDWOS:000083585100004
PublisherSPRINGER-VERLAG SINGAPORE PTE LTD
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74936
Collection中国科学院化学研究所
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.
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