Molecular dynamics simulation on micro-explosion of water-in-oil droplets in presence of solid particles or electric field

电场 成核 化学物理 分子动力学 粒子(生态学) 材料科学 水模型 气泡 领域(数学) 机械 纳米技术 热力学 物理 化学 计算化学 海洋学 量子力学 地质学 数学 纯数学
作者
Mingrui Wei,Shuwen Yang,Ju Huang,Guanlun Guo
出处
期刊:International Journal of Heat and Mass Transfer [Elsevier BV]
卷期号:196: 123263-123263 被引量:3
标识
DOI:10.1016/j.ijheatmasstransfer.2022.123263
摘要

The effects of solid particles or external electric field on the whole micro-explosions, especially bubble nucleation, were explored by molecular dynamics simulation. The corresponding reasons are also revealed. For this purpose, a water-in-oil droplet in nitrogen environment were constructed and the whole micro-explosion processes were simulated. Bubble nucleation time and nucleation temperature were estimated and compared with the cases in presence of solid particles or an electric field. The energy, force and coordination number of the water sub-droplet were explored to clarify the effects of the solid particles or an electric field. Results indicate that the presence of solid particles or an electric field can shorten the nucleation time and lower nucleation temperature, which are effective ways to control the micro-explosion process. Adding solid particles can weaken the potential restriction on water molecules, which much facilitates water molecules evaporations, and the effect is positive correlation with solid particle sizes. The effect of an external electric field on micro-explosion is essentially caused by the reduction of electrostatic potential. In the alternating electric field case, the reason for the faster temperature rise and the shorter nucleation time is that the sinusoidal change of the electrostatic force.
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