电场作用下油包水乳剂聚结特性的分子动力学研究

IF 0.7 4区 化学 Q4 CHEMISTRY, PHYSICAL
Yancheng Tao, Yeqi Yan, Zexin Liu, Chuanke Liang, Haixia Wang, Tao Li
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引用次数: 0

摘要

采用分子动力学模拟方法,从微观角度研究了电场作用下水包油乳状液中水滴的动态聚并过程。系统分析了电场强度、电场类型、液滴位置、离子浓度等因素对聚结的影响。结果表明,在直流电场条件下,E = 0.03 V/Å为液滴聚结的最佳条件。在矩形交流电场条件下,E = 0.045 V/ Å-80 ps的聚结性能最好。与直流场相比,矩形交流场有利于距离更远的液滴之间的聚并。定义离子浓度为40N时液滴的接触时间为t40N,其他浓度的液滴对应的接触时间记为t0N、t20Ν、t60N。不同离子浓度下的接触次数顺序为:直流场中,t40N <;t20N & lt;t60N & lt;t20N,矩形交流电场t20N <;t40N & lt;t0N & lt;t60N。相同离子浓度下,矩形交流电场完成聚结所需时间比直流电场长。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Dynamics Study of the Coalescence Characteristics of Water-in-Oil Emulsions under the Action of Electric Field

Using molecular dynamics simulations, this study investigates the dynamic coalescence of water droplets in oil-in-water emulsions under the influence of electric fields, from a microscopic perspective. The effects of electric field strength, field type, droplet position, and ion concentration on coalescence were systematically analyzed. The results indicate that, under a direct current (DC) electric field, the condition of E = 0.03 V/Å is the most optimal for droplet coalescence among all tested DC field conditions. Under a rectangular alternating current (AC) electric field, the condition of E = 0.045 V/Å–80 ps yielded the best coalescence performance. Compared to the DC field, the rectangular AC field facilitates coalescence between droplets positioned at greater distances. Defining the contact time of droplets with an ion concentration of 40 N as t40N, the corresponding contact times for other concentrations are denoted as t0N, t20Ν, and t60N. The contact times under different ion concentrations follow the order: in the DC field, t40N < t20N < t60N < t0N, while in the rectangular AC field, t20N < t40N < t0N < t60N. For the same ion concentration, the time required to complete coalescence in the rectangular AC field is longer than in the DC field.

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来源期刊
CiteScore
1.20
自引率
14.30%
发文量
376
审稿时长
5.1 months
期刊介绍: Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.
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