Prediction of polyimide materials with high glass-transition temperatures
文献类型：期刊论文
| 作者 | Liang, TN; Yang, XZ; Zhang, XY |
| 刊名 | JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
 |
| 出版日期 | 2001-10-01 |
| 卷号 | 39期号:19页码:2243-2251 |
| 关键词 | Polyimides Glass Transition Molecular Dynamics Molecular Mechanics Barrier |
| ISSN号 | 0887-6266 |
| 英文摘要 | The 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000170837800004 |
| 出版者 | JOHN WILEY & SONS INC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/77337]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yang, XZ |
| 作者单位 | 1.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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：化学研究所
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