Molecular dynamics simulation of single polymer chain interpenetrating into a two-chain condensed coils
文献类型：期刊论文
| 作者 | Zhang, ZQ; Yang, XZ |
| 刊名 | CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
 |
| 出版日期 | 2004-05-01 |
| 卷号 | 25期号:5页码:975-978 |
| 关键词 | Molecular Dynamics Simulation Interpenetration Polymer Chain Condensed Coils |
| ISSN号 | 0251-0790 |
| 英文摘要 | A merging process of one condensed polyethylene chain into a two-chain globule (each of which consists of 300 CH2) was simulated by molecular dynamics. Examination of the energy variation during whole structural evolution and evaluation of the perturbation of new chain to the well-penetrated two chains were performed. It was found that after the two parts become one globule, each of the chains attempts either to be inside under anisotropy of surface tension, or to occupy all the space possibly in the system by conformational entropy. The interpenetration process was thus carried out under such competition. It was also found that the third chain perturbs the distance between mass centers of the two previous chains and causes the distance increasing, which was also supported by the radial distribution function analysis. |
| 语种 | 英语 |
| WOS记录号 | WOS:000221514700047 |
| 出版者 | HIGHER EDUCATION PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/55189]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Yang, XZ |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, ZQ,Yang, XZ. Molecular dynamics simulation of single polymer chain interpenetrating into a two-chain condensed coils[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2004,25(5):975-978. |
| APA | Zhang, ZQ,&Yang, XZ.(2004).Molecular dynamics simulation of single polymer chain interpenetrating into a two-chain condensed coils.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,25(5),975-978. |
| MLA | Zhang, ZQ,et al."Molecular dynamics simulation of single polymer chain interpenetrating into a two-chain condensed coils".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 25.5(2004):975-978. |
入库方式： OAI收割
来源：化学研究所
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