Fast phase transition of water molecules in a defective carbon nanotube under an electric field

被引:7
|
作者
Meng, Xianwen [1 ]
Huang, Jiping [2 ,3 ]
机构
[1] China Univ Min & Technol, Dept Phys, Xuzhou 221116, Peoples R China
[2] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China
[3] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China
来源
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2016年 / 30卷 / 06期
关键词
Carbon nanotube; water molecules; molecular dynamics simulations; BIOLOGICAL-MEMBRANES; TRANSPORT; DYNAMICS; CHANNEL; PROTEIN; BEHAVIOR; FORCE;
D O I
10.1142/S0217979216500193
中图分类号
O59 [应用物理学];
学科分类号
摘要
We utilize molecular dynamics simulations to study the effect of an electric field on the permeation of water molecules through a defective single-walled carbon nanotube (DSWCNT). Compared with a perfect single-walled carbon nanotube (PSWCNT), the behaviors of water molecules respond more quickly under the same electric field in a DSWCNT. Wet-dry phase transition of water molecules occurs when the electric field reaches 0.32 V/nm, which is much lower than the case of the PSWCNT. Besides, the critical electric field is affected by the number of defects. These results pave a way for designing fast wet-dry transition devices and provide a new insight into water permeation through a defective nanochannel.
引用
收藏
页数:8
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