ICCAS OpenIR
Prediction of polyimide materials with high glass transition temperature
Liang, TN; Yang, XZ; Zhang, XY
2002-03-01
Source PublicationJOURNAL OF POLYMER MATERIALS
ISSN0970-0838
Volume19Issue:1Pages:49-58
AbstractPrediction of chemical structures that possesses higher glass transition temperatures (T-g) is crucial for designing polyimides. Since due to lack of suitable parameters, several estimation methods cannot be used for this purpose. The present study therefore has used molecular dynamics with the DREIDING II force field to predict T-g for polyimides. Simulated results indicate a good agreement with experimental observations. This was validated here and compared with an estimation approach, "universal connectivity indices method," which made an unacceptable soothsay This study shows that the higher barrier for the bridging bonds between moieties along main chain backbone goes positively with higher T-g. The barrier height can be easily obtained using molecular mechanics. The prediction of T-g for polyimides was thus accelerated.
KeywordPolyimides Molecular Dynamics T-g
Indexed BySCI
Language英语
WOS IDWOS:000184561300007
PublisherOXFORD & IBH PUBL CO PVT LTD
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/79102
Collection中国科学院化学研究所
Corresponding AuthorYang, XZ
Affiliation1.Chinese Acad Sci, Polymer Phys Lab, Ctr Mol Sci, Inst Chem, 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 temperature[J]. JOURNAL OF POLYMER MATERIALS,2002,19(1):49-58.
APA Liang, TN,Yang, XZ,&Zhang, XY.(2002).Prediction of polyimide materials with high glass transition temperature.JOURNAL OF POLYMER MATERIALS,19(1),49-58.
MLA Liang, TN,et al."Prediction of polyimide materials with high glass transition temperature".JOURNAL OF POLYMER MATERIALS 19.1(2002):49-58.
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