Water Permeation Through a Charged Channel
文献类型：期刊论文
| 作者 | Hao, Liang; Su, Jiaye; Guo, Hongxia |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2013-06-27 |
| 卷号 | 117期号:25页码:7685-7694 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp400578u |
| 英文摘要 | Transport properties of, water molecules through hydrophobic channels have been explored extensively in recent years; however, our knowledge about the transport properties of hydrophilic channels is still rather poor. Herein, we use molecular dynamics simulations to study the permeation of water molecules through a charged channel. For comparison, we first consider the pristine hydrophobic channel without charge, and we find an analytic expression that can predict the water flow through it. For uniformly charged channels, with the increase of charge density, the water flow decreases, due to the increase of roughness in the free energy profile experienced by a water molecule along the channel; while, the ion flow exhibits a maximum, because of the competition between the increasing ion number and ion-channel attraction. Surprisingly, the water occupancy for positive and negative channels varies in the opposite direction, which is strongly related to the excluded volume effect of ions. Additionally, we also discuss the effect of surface charge patterns and channel sizes. These results not only enrich our understanding of the transport properties of hydrophilic channels, but also have deep implications for the design of nanometer water gates. |
| 语种 | 英语 |
| WOS记录号 | WOS:000321236200019 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/53831]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Su, Jiaye |
| 作者单位 | Chinese Acad Sci, State Key Lab Polymer Phys & Chem, Joint Lab Polymer Sci & Mat, Beijing Natl Lab Mol Sci,Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hao, Liang,Su, Jiaye,Guo, Hongxia. Water Permeation Through a Charged Channel[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2013,117(25):7685-7694. |
| APA | Hao, Liang,Su, Jiaye,&Guo, Hongxia.(2013).Water Permeation Through a Charged Channel.JOURNAL OF PHYSICAL CHEMISTRY B,117(25),7685-7694. |
| MLA | Hao, Liang,et al."Water Permeation Through a Charged Channel".JOURNAL OF PHYSICAL CHEMISTRY B 117.25(2013):7685-7694. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。