Prediction of polyimide materials with high glass transition temperature
文献类型：期刊论文
| 作者 | Liang, TN; Yang, XZ; Zhang, XY |
| 刊名 | JOURNAL OF POLYMER MATERIALS
 |
| 出版日期 | 2002-03-01 |
| 卷号 | 19期号:1页码:49-58 |
| 关键词 | Polyimides Molecular Dynamics T-g |
| ISSN号 | 0970-0838 |
| 英文摘要 | Prediction 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000184561300007 |
| 出版者 | OXFORD & IBH PUBL CO PVT LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/79101]  |
| 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, Polymer Phys Lab, Ctr Mol Sci, Inst Chem, 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 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. |
入库方式： OAI收割
来源：化学研究所
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