活性粒子在周期性通道和场中的宏观传输:整流与分散

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Zhiwei Peng
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引用次数: 0

摘要

活性粒子在波纹通道和多孔介质等结构化环境中的传输和分散对于了解天然和工程活性系统都非常重要。由于具有持续的自推进力,活性粒子在空间不对称限制条件下表现出整流传输特性。虽然在实验和基于粒子的模拟方面取得了进展,但对空间周期性几何结构中的有效长时传输动力学的理论理解仍然欠缺。在本文中,我们运用广义泰勒分散理论分析了周期性通道和场中活性布朗粒子(ABPs)的长时有效传输动力学。我们证明,长时传输行为受有效的平流-扩散方程支配。根据推导出的宏观输运方程,我们可以确定平均漂移和有效扩散系数的特征。对于在通道壁上受无流量边界条件限制的 ABPs,我们的研究表明,无论活性如何,平均漂移量都是由沿通道的净扩散通量给出的。对于 ABPs 来说,它们的活动是维持密度梯度的驱动机制,最终导致沿通道的整流运动。我们的连续理论通过对控制每个 ABP 运动的朗格文方程的直接布朗动力学模拟得到了验证。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Macrotransport of active particles in periodic channels and fields: Rectification and dispersion.

Transport and dispersion of active particles in structured environments, such as corrugated channels and porous media, are important for the understanding of both natural and engineered active systems. Owing to their continuous self-propulsion, active particles exhibit rectified transport under spatially asymmetric confinement. While progress has been made in experiments and particle-based simulations, a theoretical understanding of the effective long-time transport dynamics in spatially periodic geometries remains less developed. In this paper, we apply generalized Taylor dispersion theory to analyze the long-time effective transport dynamics of active Brownian particles (ABPs) in periodic channels and fields. We show that the long-time transport behavior is governed by an effective advection-diffusion equation. The derived macrotransport equations allow us to characterize the average drift and effective dispersion coefficient. For the case of ABPs subject to a no-flux boundary condition at the channel wall, we show that regardless of activity, the average drift is given by the net diffusive flux along the channel. For ABPs, their activity is the driving mechanism that sustains a density gradient, which ultimately leads to rectified motion along the channel. Our continuum theory is validated against direct Brownian dynamics simulations of the Langevin equations governing the motion of each ABP.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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