纳米尺度下水液滴撞击固体表面润湿性行为的分子动力学模拟  

Molecular dynamics simulation on wetting behavior of water droplets hitting solid surfaces at the nanoscale

作　　者：王美婷 祁影霞[1] 陶杰 陈曦[1] 杨宇水 张蕾 刘妮[1] 杨果成 WANG Mei-Ting;QI Ying-Xia;TAO Jie;CHEN Xi;YANG Yu-Shui;ZHANG Lei;LIU Ni;YANG Guo-Cheng(University of Shanghai for Science and Technology,Shanghai 200082,China;Shanghai Haili Group Company Limited,Shanghai 201206,China)

机构地区：[1]上海理工大学能源与动力工程学院,上海200093 [2]上海海立集团股份有限公司,上海201206

出　　处：《原子与分子物理学报》2025年第2期91-97,共7页Journal of Atomic and Molecular Physics

基　　金：中央引导地方科技发展资金(YDZX20213100003002)。

摘　　要：本文采用分子动力学方法研究纳米尺度下水液滴碰撞铜壁面的润湿过程,水滴温度和固液作用强度对润湿性行为的影响以及直径为4.67 nm球形液滴在273 K-353 K温区、固液作用强度在1-3范围内,水滴的润湿行为和平衡接触角与温度、固液作用强度之间的变化关系.研究结果显示:液滴在不同润湿性壁面上会产生明显不同的润湿演化特性.模拟结果表明对于亲水材料,由于壁面附近水分子所受的势能束缚随温度升高而增强,平衡接触角则相应减小;对于疏水材料,由于随温度的升高分子之间增加的势能大于固液之间增加的势能而表现出平衡接触角随着温度升高而增大的趋势.因此,针对其材料亲水性能,可以通过改变温度影响其润湿行为,从而提高传热、传质和自清洁性能.In this paper,molecular dynamics methods are used to study the wetting process of water droplets colliding with copper walls at the nanoscale,the effects of water droplet temperature and solid-liquid action intensity on wetting behavior,and the changes of the wetting behavior and equilibrium contact angle of water droplets(with a diameter of 4.67 nm)with temperature and solid-liquid action intensity in the temperature range of 273 K-353 K and the solid-liquid action intensity range of 1-3.The results show that the droplets will produce significantly different wetting evolution characteristics on different wetting walls.The simulation results show that for hydrophilic materials,the equilibrium contact angle decreases correspondingly because the potential energy binding of water molecules near the wall increases with the increase of temperature.For hydrophobic materials,the equilibrium contact angle tends to increase with temperature because the potential energy between molecules increases with increasing temperature being lager than that between solids and liquids.Therefore,for the hydrophilic properties of the material,its wetting behavior can be affected by changing the temperature,thereby improving the heat transfer,mass transfer and self-cleaning performance.

关 键 词：润湿性 接触角 分子动力学模拟 纳米液滴 

分 类 号：O647.5[理学—物理化学]