ICCAS OpenIR
Molecular dynamics simulation of glass transition behavior of polyimide ensemble
Liang, TN; Zhang, XY; Yang, XZ
2001-09-01
Source PublicationCHINESE CHEMICAL LETTERS
ISSN1001-8417
Volume12Issue:9Pages:827-828
AbstractThe effect of chromophores to the glass transition temperature of polyimide ensemble has been investigated by means of molecular dynamics simulation in conjunction with barrier analysis. Simulated Tg results indicated a good agreement with experimental value. This study showed the MD simulation could estimate the effect of chromophores to the Tg of polyimide ensemble conveniently and an estimation approach method had a surprising deviation of Tg from experiment. At the same time, a polyimide structure with higher barrier energy was designed and validated by MD simulation.
KeywordGlass Transition Temperature Molecular Dynamics Simulation
Indexed BySCI
Language英语
WOS IDWOS:000170947200025
PublisherCHINESE CHEMICAL SOCIETY
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77198
Collection中国科学院化学研究所
Affiliation1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China
2.Heilongjiang Univ, Inst Chem & Engn, Harbin 150089, Peoples R China
Recommended Citation
GB/T 7714
Liang, TN,Zhang, XY,Yang, XZ. Molecular dynamics simulation of glass transition behavior of polyimide ensemble[J]. CHINESE CHEMICAL LETTERS,2001,12(9):827-828.
APA Liang, TN,Zhang, XY,&Yang, XZ.(2001).Molecular dynamics simulation of glass transition behavior of polyimide ensemble.CHINESE CHEMICAL LETTERS,12(9),827-828.
MLA Liang, TN,et al."Molecular dynamics simulation of glass transition behavior of polyimide ensemble".CHINESE CHEMICAL LETTERS 12.9(2001):827-828.
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