Molecular dynamic study on contact angle of water droplet on a single-wall carbon nanotube (SWCNT) plate

被引：8
|
作者：
Mao, Yijin [1 ]
Chen, Chung-Lung [1 ]
Zhang, Yuwen [1 ]
机构：
[1] Univ Missouri, Dept Mech & Aerosp Engn, Columbia, MO 65211 USA
来源：
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING | 2013年 / 111卷 / 03期
基金：
美国国家科学基金会;
关键词：
SIMULATION;
D O I：
10.1007/s00339-013-7699-y
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Molecular dynamics (MD) simulations are carried out to study the interaction between a carbon nanotube (CNT) plate and nano-sized water droplet. The cases with or without a quadrupole term acting on the charge sites of the water molecule, are directly compared. The wettability of the CNT plate with different separation distances is studied, and the contact angle on the plates with various separation distances is measured and analyzed. The simulation indicates that the contribution from quadrupole potential is negligible for wetting between twin CNTs and liquid water, while it is significant for holding a sphere-like water droplet and forming a reasonable contact angle.
引用
收藏
页码：747 / 754
页数：8
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