ICCAS OpenIR
Prediction of polyimide materials with high glass-transition temperatures
Liang, TN; Yang, XZ; Zhang, XY
2001-10-01
Source PublicationJOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
ISSN0887-6266
Volume39Issue:19Pages:2243-2251
AbstractThe prediction of chemical structures that possess higher glass-transition temperatures (T-g's) is crucial for designing polyimides. Because of a lack of suitable parameters, several estimation methods cannot be used for this purpose. In this study, therefore, we used molecular dynamic simulation with the DREIDING II force field to predict Tg's for polyimides. Simulated results indicated a good agreement with experimental observations. A barrier analysis of the bridging bonds between moieties along the main-chain backbone showed a correlation between T-g and the barrier height. This proved to be helpful in a preliminary selection before the molecular dynamic simulation for accelerating the process of research and development on new polyimides. (C) 2001 John Wiley & Sons, Inc.
KeywordPolyimides Glass Transition Molecular Dynamics Molecular Mechanics Barrier
Indexed BySCI
Language英语
WOS IDWOS:000170837800004
PublisherJOHN WILEY & SONS INC
Citation statistics
Cited Times:19[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/77338
Collection中国科学院化学研究所
Corresponding AuthorYang, XZ
Affiliation1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Polymer Phys Lab, Beijing 100080, Peoples R China
2.Heilongjiang Univ, Inst Chem & Engn, Harbin 150089, Peoples R China
Recommended Citation
GB/T 7714
Liang, TN,Yang, XZ,Zhang, XY. Prediction of polyimide materials with high glass-transition temperatures[J]. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS,2001,39(19):2243-2251.
APA Liang, TN,Yang, XZ,&Zhang, XY.(2001).Prediction of polyimide materials with high glass-transition temperatures.JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS,39(19),2243-2251.
MLA Liang, TN,et al."Prediction of polyimide materials with high glass-transition temperatures".JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS 39.19(2001):2243-2251.
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