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| Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis | |
| Qi, WP; Zhao, HW; Qi, WP (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China. | |
| 2015 | |
| 发表期刊 | JOURNAL OF CHEMICAL PHYSICS
 |
| ISSN | 0021-9606 |
| 卷号 | 143期号:11页码:— |
| 文章类型 | 期刊文献 |
| 摘要 | The water confined in nanotubes has been extensively studied, because of the potential usages in drug delivery and desalination. The radial distribution of the dielectric constant parallel along the nanotube axis was obtained by molecular dynamics simulations in a carbon nanotube and a nanotube with a very small van der Waals potential. The confined water was divided into two parts, the middle part water and the hydration water. In both cases, the hydrogen bond orientation of the middle water is isotropic, while the hydrogen bonds in hydration layers are apt to parallel along the nanotube axis. Therefore, the hydration water has higher dipole correlations increasing the dielectric constant along the nanotube axis. (C) 2015 AIP Publishing LLC. |
| 关键词 | Carbon Nanotubes Molecular-dynamics Channel Permittivity Membranes Simulations Relaxation Nanoscale Transport Proteins |
| 语种 | 英语 |
| WOS记录号 | WOS:000361843900054 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.sinap.ac.cn/handle/331007/24947 |
| 专题 | 中科院上海应用物理研究所2011-2018年 |
| 通讯作者 | Qi, WP (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Qi, WP,Zhao, HW,Qi, WP . Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis[J]. JOURNAL OF CHEMICAL PHYSICS,2015,143(11):—. |
| APA | Qi, WP,Zhao, HW,&Qi, WP .(2015).Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis.JOURNAL OF CHEMICAL PHYSICS,143(11),—. |
| MLA | Qi, WP,et al."Hydrogen bond network in the hydration layer of the water confined in nanotubes increasing the dielectric constant parallel along the nanotube axis".JOURNAL OF CHEMICAL PHYSICS 143.11(2015):—. |
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| Hydrogen bond networ（2467KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | 浏览 下载 | |
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