在非平衡流体中斯电机的微观理论:表面水力动力学和边界条件
Bryan Robertson1, Jeremy Schofield1, Raymond Kapral1
1Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada.
The Journal of chemical physics
|January 2, 2024
概括
这项研究为活跃的Janus电机及其流体环境推导了运动方程. 它详细介绍了运动运动和流体动力学是如何结合在一起的,为连续理论提供了分子基础.
科学领域:
- 软物质物理学 软物质物理学
- 化学物理 化学物理
- 理论化学 理论化学
背景情况:
- 活性物质系统,比如自扩散性斯电机,表现出由自我生成的梯度驱动的复杂行为.
- 了解活性粒子及其流体环境之间的相互作用对于设计微型和纳米机器至关重要.
研究的目的:
- 从第一个原理中推导出一个活跃的斯电机及其周围的流体的合运动方程.
- 建立一个分子层面的理解,控制运动动力学和流体反应的力量和扭矩.
主要方法:
- 在粗粒度的微观密度 (流体物种数量,动量,能量) 上使用了时间依赖的投影操作员技术.
- 采用时间尺度参数来简化精确方程为马科维方程的电机速度.
- 分离流体方程分成大量和界面贡献的大型合物.
主要成果:
- 导出马可维式方程,用于雅努斯电机的线性和角速度,平均力和扭矩取决于流体密度.
- 用边界条件的散装水力动力学方程准确表示流体动力学的确定条件.
- 提供了所有运输系数的格林-库博表达式,包括扩散性合和滑动系数.
结论:
- 建立了一个严格的理论框架,将分子描述与活性物质系统的连续理论联系起来.
- 由此产生的框架允许从基本原理预测运输系数.
- 提供了对控制复杂流体中自动运动粒子运动的基本物理学的见解.
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