| 引用本文格式: Wang Mei-Ting,Qi Ying-Xia,Tao Jie,Chen Xi,Yang Yu-Shui,Zhang Lei,Liu Ni,Yang Guo-Cheng. Molecular dynamics simulation of wetting behavior of water droplets hitting solid surfaces at the nanoscale [J]. J. At. Mol. Phys., 2025, 42(2): 022005 (in Chinese) 王美婷,祁影霞,陶杰,陈曦,杨宇水,张蕾,刘妮,杨果成. 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 [J]. 原子与分子物理学报, 2025, 42(2): 022005] |
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| 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 of wetting behavior of water droplets hitting solid surfaces at the nanoscale |
| 摘要点击 159 全文点击 267 投稿时间：2023-05-06 修订日期：2023-05-26 |
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| DOI编号
10.19855/j.1000-0364.2025.022005 |
| 中文关键词
润湿性、接触角、分子动力学模拟、纳米液滴 |
| 英文关键词
wettability, contact angle, molecular dynamics simulation, nanodroplet |
| 基金项目
中央引导地方科技发展资金（YDZX20213100003002） |
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| 中文摘要
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| 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.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. |
| 英文摘要
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| In this paper, molecular dynamics methods are used to study the wetting process of water droplets colliding with copper walls at the nanoscale, and the effects of water droplet temperature and solid-liquid action intensity on wetting behavior. The wetting behavior of the water droplet and the equilibrium contact angle were in the temperature range of 273 K-353 K and the solid-liquid action intensity was in the range of 1-3, the wetting behavior and equilibrium contact angle of the water droplet were in the temperature and solid-liquid action intensity. 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 than the potential energy between solids and liquids. Therefore, for the hydrophilic properties of its material, its wetting behavior can be affected by changing the temperature, thereby improving the heat transfer, mass transfer and self-cleaning performance. |
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