纳米级表面活性剂载荷接口的波动水力学模型
John B Bell1, Andrew Nonaka1, Alejandro L Garcia2
1Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
The Journal of chemical physics
|November 12, 2025
概括
本研究介绍了使用波动水力动力学的纳米级表面活性剂接口模型. 它显示,虽然表面活性剂降低了表面张力,但热的波动可以破坏它们对流体界面的稳定作用.
科学领域:
- 多尺度建模的多尺度建模
- 流体动力学 流体动力学
- 表面科学是一门科学.
背景情况:
- 模拟纳米级现象需要先进的计算模型.
- 表面活性剂在接口上的行为会影响宏观性质.
- 波动的水力动力学捕捉到了在纳米尺度上至关重要的热效应.
研究的目的:
- 为纳米级表面活性剂接口开发一个多种类的扩散接口模型.
- 研究表面活性剂对表面张力和马兰戈尼对流的影响.
- 分析热波动对表面活性剂驱动现象的作用.
主要方法:
- 在波动水力动力学框架内制定扩散接口模型.
- 使用Cahn-Hilliard自由能量密度用于三元混合物.
- 在消耗性流动中纳入确定性和随机性术语.
- 执行拉普拉斯压力测量和毛细管波谱分析.
- 进行雷利-高原不稳定的非平衡模拟.
主要成果:
- 该模型显示表面张力与表面活性剂度线性下降.
- 对于具有度梯度的接口,观察到Marangoni对流.
- 毛细管波谱因吉布斯弹性而偏离经典理论.
- 表面活性剂在决定性模拟中延迟雷利-高原不稳定性.
- 热波动会破坏表面活性剂的稳定,并抑制马兰戈尼驱动的传播.
结论:
- 开发的模型准确地模拟了纳米级表面活性剂接口动态.
- 吉布斯弹性显著改变了毛细管的波浪行为.
- 热波动在纳米级调节表面活性剂的有效性方面发挥着至关重要的作用.
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