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基于超声场控制化学反应的相分离的格子玻尔兹曼模拟

Lattice Boltzmann simulation for phase separation with chemical reaction controlled by ultrasound field.

作者信息

Wang Heping, Lu Ying

机构信息

Department of Key Laboratory of Engineering Mathematics and Advanced Computing, School of Sciences, Nanchang Institute of Technology, Nanchang, Jiangxi, People's Republic of China.

出版信息

PLoS One. 2025 Jul 18;20(7):e0324607. doi: 10.1371/journal.pone.0324607. eCollection 2025.

Abstract

In this work, the phase separation behavior and pattern formation in binary fluids with chemical reactions controlled by ultrasonic radiation were systematically investigated. We incorporated the density-dependent Arrhenius equation into a novel and modified model for phase separation. The coupling effects of the pre-exponential factor K, density, and frequency on the phase separation under the condition of ultrasonic field-regulated chemical reactions were evaluated. 1) The rate of chemical reaction can be slowed down and even blocked by controlling the frequency of the ultrasonic field. 2)We have established a criterion for evaluating the competition between chemical reactions and the ultrasonic fields. When the value of pre-exponential factor K is greater than or equal to 10-4, phase separation is primarily regulated by the chemical reaction; otherwise, the ultrasonic field dominates the phase separation. 3) By analyzing the average structure factor, it was quantitatively proven that an increase in the frequency can significantly shorten the phase preservation period of the chemical reaction and ultrasonic radiation force and accelerate the merging of the separated phases into a larger phase. 4) We have successfully simulated the morphological evolution of phase separation regulated by traveling waves in the ultrasonic field.

摘要

在这项工作中,系统地研究了由超声辐射控制化学反应的二元流体中的相分离行为和图案形成。我们将密度依赖的阿伦尼乌斯方程纳入了一个新颖的、改进的相分离模型。评估了指前因子K、密度和频率在超声场调节化学反应条件下对相分离的耦合效应。1)通过控制超声场的频率,可以减缓甚至阻断化学反应速率。2)我们建立了一个评估化学反应与超声场之间竞争的准则。当指前因子K的值大于或等于10-4时,相分离主要由化学反应调节;否则,超声场主导相分离。3)通过分析平均结构因子,定量证明了频率的增加可以显著缩短化学反应和超声辐射力的相保留期,并加速分离相合并成更大的相。4)我们成功地模拟了超声场中行波调节的相分离的形态演变。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d02f/12273979/7a5d644b643c/pone.0324607.g001.jpg

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