Colloids 2025 slides

2024

1. Rotational Taylor dispersion in linear flows

   Zhiwei Peng

   Journal of Fluid Mechanics, Oct 2024

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   The coupling between advection and diffusion in position space can often lead to enhanced mass transport compared to diffusion without flow. An important framework used to characterize the long-time diffusive transport in position space is the generalized Taylor dispersion theory. In contrast, the dynamics and transport in orientation space remains less developed. In this work, we develop a rotational Taylor dispersion theory that characterizes the long-time orientational transport of a spheroidal particle in linear flows that is constrained to rotate in the velocity-gradient plane. Similar to Taylor dispersion in position space, the orientational distribution of axisymmetric particles in linear flows at long times satisfies an effective advection-diffusion equation in orientation space. Using this framework, we then calculate the long-time average angular velocity and dispersion coefficient for both simple shear and extensional flows. Analytic expressions for the transport coefficients are derived in several asymptotic limits including nearly-spherical particles, weak flow, and strong flow. Our analysis shows that at long times the effective rotational dispersion is enhanced in simple shear and suppressed in extensional flow. The asymptotic solutions agree with full numerical solutions of the derived macrotransport equations and results from Brownian dynamics simulations. Our results show that the interplay between flow-induced rotations and Brownian diffusion can fundamentally change the long-time transport dynamics.

2. Macrotransport of active particles in periodic channels and fields: rectification and dispersion

   Zhiwei Peng

   The Journal of Chemical Physics, Oct 2024

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   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 selfpropulsion, active particles exhibit rectified transport under spatially asymmetric confinement. While good 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 (GTDT) 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 in periodic channels without external fields, 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.

3. AI-aided geometric design of anti-infection catheters

   Tingtao Zhou, Xuan Wan, Daniel Zhengyu Huang, and 6 more authors

   Science Advances, Jan 2024

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   Bacteria can swim upstream in a narrow tube and pose a clinical threat of urinary tract infection to patients implanted with catheters. Coatings and structured surfaces have been proposed to repel bacteria, but no such approach thoroughly addresses the contamination problem in catheters. Here, on the basis of the physical mechanism of upstream swimming, we propose a novel geometric design, optimized by an artificial intelligence model. Using Escherichia coli, we demonstrate the anti-infection mechanism in microfluidic experiments and evaluate the effectiveness of the design in three-dimensionally printed prototype catheters under clinical flow rates. Our catheter design shows that one to two orders of magnitude improved suppression of bacterial contamination at the upstream end, potentially prolonging the in-dwelling time for catheter use and reducing the overall risk of catheter-associated urinary tract infection. A geometric design provides a simple solution for catheter-associated urinary tract infections.

2020

1. Upstream swimming and Taylor dispersion of active Brownian particles

   Zhiwei Peng, and John F. Brady

   Physical Review Fluids, Jul 2020

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   Locomotion of self-propelled particles such as motile bacteria or phoretic swimmers often takes place in the presence of applied flows and confining boundaries. Interactions of these active swimmers with the flow environment are important for the understanding of many biological processes, including infection by motile bacteria and the formation of biofilms. Recent experimental and theoretical works have shown that active particles in a Poiseuille flow exhibit interesting dynamics including accumulation at the wall and upstream swimming. Compared to the well-studied Taylor dispersion of passive Brownian particles, a theoretical understanding of the transport of active Brownian particles (ABPs) in a pressure-driven flow is relatively less developed. In this paper, employing a small wave-number expansion of the Smoluchowski equation describing the particle distribution, we explicitly derive an effective advection-diffusion equation for the cross-sectional average of the particle number density in Fourier space. We characterize the average drift (specifically upstream swimming) and effective longitudinal dispersion coefficient of active particles in relation to the flow speed, the intrinsic swimming speed of the active particles, their Brownian diffusion, and the degree of confinement. In contrast to passive Brownian particles, both the average drift and the longitudinal dispersivity of ABPs exhibit a nonmonotonic variation as a function of the flow speed. In particular, the dispersion of ABPs includes the classical shear-enhanced (Taylor) dispersion and an active contribution called the swim diffusivity. In the absence of translational diffusion, the classical Taylor dispersion is absent and we observe a giant longitudinal dispersion in the strong flow limit. Our continuum theory is corroborated by a direct Brownian dynamics simulation of the Langevin equations governing the motion of each ABP.