Conformational Transition Behavior of Amorphous Polyethylene across the Glass Transition Temperature
文献类型：期刊论文
| 作者 | Wu, Rongliang; Zhang, Xiongfei; Ji, Qing; Kong, Bin; Yang, Xiaozhen |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2009-07-09 |
| 卷号 | 113期号:27页码:9077-9083 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp8110919 |
| 英文摘要 | Molecular dynamics simulations have been used to investigate the conformational transition behavior in amorphous polyethylene with different chain lengths across the glass transition temperature (T(g)). In the present study, we examined the barrier height of conformational transition rates in different states. It was found that two lines of the logarithmic rates versus inverse temperature in the melt state and in the glass state are evidently different. The two lines have an intersection, which indicates T(g) well. The barrier height in the glass state was unexpectedly observed lower than that in the melt state. For gaining better understanding of the transition barrier reduction, we analyzed motion heterogeneity of the systems and found the torsional transition rate distribution becoming gradually heterogeneous when the temperature went down to the glass state. The result indicates that the motion heterogeneity was caused by the torsion transition being "frozen". The frozen torsions made the system into a nonequilibrium state and possess a novel transition behavior, which accounted for most of the transitions that started at a location close to top of barrier, and also the enhancement of a small magnitude of transition jumps. |
| 语种 | 英语 |
| WOS记录号 | WOS:000267651600008 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67125]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yang, Xiaozhen |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing Natl Lab Mol Sci,Joint Lab Polymer Sci &, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wu, Rongliang,Zhang, Xiongfei,Ji, Qing,et al. Conformational Transition Behavior of Amorphous Polyethylene across the Glass Transition Temperature[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2009,113(27):9077-9083. |
| APA | Wu, Rongliang,Zhang, Xiongfei,Ji, Qing,Kong, Bin,&Yang, Xiaozhen.(2009).Conformational Transition Behavior of Amorphous Polyethylene across the Glass Transition Temperature.JOURNAL OF PHYSICAL CHEMISTRY B,113(27),9077-9083. |
| MLA | Wu, Rongliang,et al."Conformational Transition Behavior of Amorphous Polyethylene across the Glass Transition Temperature".JOURNAL OF PHYSICAL CHEMISTRY B 113.27(2009):9077-9083. |
入库方式： OAI收割
来源：化学研究所
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