文档介绍：
碳纳米管阵列湿润与滑移性质的分子动力
学模拟#
顾骁坤,陈民**
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(清华大学航天航空学院,北京 100084)
摘要:采用分子动力学方法研究了水在碳管阵列表面的湿润和流动现象。模拟获得了液滴在
经过表面处理的碳管阵列上的接触角和液滴展布特性。发现碳管阵列结构能改变纳米液滴在
固体表面的展布性质,使得疏水性表面的接触角大大增加。另外,通过模拟碳管阵列平板的
Couette 剪切流动,得到了通道中流体的速度分布,观察到了速度滑移现象。模拟表明碳管
阵列的排布能够影响滑移长度,进而可以通过改变和控制微纳米通道内的流体输运。
关键词:碳纳米管;接触角;滑移长度;分子动力学
中图分类号:
The Molecular Dynamics Simulation about Wettability and
Slippage of Carbon Nanotube Array Surface
GU Xiaokun, CHEN Min
(School of Aerospace, Beijing 100084)
Abstract: In this paper, molecular dynamics method is employed to investigate the phenomenon of
wetting and flowing of water drop on carbon nanotube array surface. Contact angle and spreading
property of drops on the modified carbon nanotube array surfaces are obtained through simulation. The
structure of carbon nanotube array can change the spreading property of nano drops on solid wall,
which largely increases the contact angle of hydrophobicity surface. In addition, the simulation of
Couette shear flow contributes to getting the speed profile of fluid in nano channel and slippage is
observed. It is found through simulation that the array of carbon nanotube could influence the slip
length and then tranform or control the transportation of liquid in micro-nano channel.
Key words: Carbon Nanotube; Slip Length ; Contact Angle; Molecular Dynamics
0 引言
在过去的 10 年中,超疏水表面在微流动、表面清洁等