纳米液滴撞击润湿阵列碳纳米管的分子模拟  

Molecular Simulation of Nanodroplet Impact Wetting Carbon Nanotube Arrays

作　　者：冯潇源 冉景煜[1] 邵运璘 黄鑫[1] 杨桐 桑国华 FENG Xiaoyuan;RAN Jingyu;SHAO Yunlin;HUANG Xin;YANG Tong;SANG Guohua(School of Energy and Power Engineering,Chongqing University,Chongqing 400044,China)

机构地区：[1]重庆大学能源与动力工程学院,重庆400044

出　　处：《工程热物理学报》2024年第9期2678-2686,共9页Journal of Engineering Thermophysics

基　　金：重庆市重点产业共性关键技术创新专项(No.cstc2016zdcy-ztzx20006)。

摘　　要：利用分子动力学模拟方法研究了水纳米液滴在不同阵列碳纳米管上的润湿特性,考察了不同结构与表面改性阵列碳纳米管、不同纳米液滴初始运动状态对润湿特性的影响。结果表明:手性参数n=30、m=0碳纳米管的抗水性能更强,顺排排列、间距为9 nm时阵列碳纳米管有利于保持液滴形态,可避免不规则润湿现象发生;在环境温度升高过程中,纳米液滴在表面的扩散行为由液滴的铺展逐渐转变为气体的扩散;纳米液滴We数为6.74时,无量纲润湿半径最小,润湿过程由表面张力主导转变为惯性力主导;纳米液滴运动角度的改变不影响液滴最终润湿半径,但在小角度会出现不规则润湿现象,造成纳米液滴的动能在摩擦与形变中损耗,对抗水性能有不利影响。In this paper,molecular dynamics simulations are used to study the wetting characteristics of water nanodroplets on different carbon nanotube arrays.The effects of different structures and surface modified carbon nanotube arrays,and different initial motion states of nanodroplets on the wetting properties were investigated.The results show that the chiral parameters n=30 and m=0 carbon nanotubes have stronger water resistance,and the carbon nanotube arrays arranged in parallelepiped with a spacing of 9 nm are favorable to maintain the droplet morphology and avoid irregular wetting phenomena;the diffusion behavior of nanodroplets on the surface gradually changes from the spreading of droplets to the diffusion of gases during the increase of ambient temperature;the dimensionless wetting radius is the smallest when the nanodroplet We number is 6.74 The minimum,the wetting process is changed from surface tension-dominated to inertia force-dominated;the change of nanodrop motion angle does not affect the final wetting radius of droplets,but irregular wetting phenomenon will occur at small angles,causing the kinetic energy of nanodroplets to be lost in friction and deformation,which has a negative impact on the anti-water performance.

关 键 词：润湿性 阵列碳纳米管 纳米液滴 分子动力学 

分 类 号：TK123[动力工程及工程热物理—工程热物理]