Zhiwei Peng

Active particles exhibit complex transport dynamics in flows through confined geometries such as channels or pores. In this work, we employ a generalized Taylor dispersion (GTD) theory to study the long-time dispersion behavior of active Brownian particles (ABPs) in an oscillatory Poiseuille flow within a planar channel. We quantify the time-averaged longitudinal dispersion coefficient as a function of the flow speed, flow oscillation frequency, and particle activity. In the weak-activity limit, asymptotic analysis shows that activity can either enhance or hinder the dispersion compared to the passive case. For arbitrary activity levels, we numerically solve the GTD equations and validate the results with Brownian dynamics simulations. We show that the dispersion coefficient could vary non-monotonically with both the flow speed and particle activity. Furthermore, the dispersion coefficient shows an oscillatory behavior as a function of the flow oscillation frequency, exhibiting distinct minima and maxima at different frequencies. The observed oscillatory dispersion results from the interplay between self-propulsion and oscillatory flow advection—a coupling absent in passive or steady systems. Our results show that time-dependent flows can be used to tune the dispersion of active particles in confinement.

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.

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.

Modern biomedical applications such as targeted drug delivery require a delivery system capable of enhanced transport beyond that of passive Brownian diffusion. In this work an osmotic mechanism for the propulsion of a vesicle immersed in a viscous fluid is proposed. By maintaining a steady-state solute gradient inside the vesicle, a seepage flow of the solvent (e.g., water) across the semipermeable membrane is generated which in turn propels the vesicle. We develop a theoretical model for this vesicle-solute system in which the seepage flow is described by a Darcy flow. Using the reciprocal theorem for Stokes flow it is shown that the seepage velocity at the exterior surface of the vesicle generates a thrust force which is balanced by the hydrodynamic drag such that there is no net force on the vesicle. We characterize the motility of the vesicle in relation to the concentration distribution of the solute confined inside the vesicle. Any osmotic solute is able to propel the vesicle so long as a concentration gradient is present. In the present work, we propose active Brownian particles (ABPs) as a solute. To maintain a symmetry-breaking concentration gradient, we consider ABPs with spatially varying swim speed and ABPs with constant properties but under the influence of an orienting field. In particular, it is shown that at high activity the vesicle velocity is \bU∼[K_\perp /(\eta_e\ell_m) ]∫\Pi_0^\mathrmswim \bn dΩ, where \Pi_0^\mathrmswim is the swim pressure just outside the thin accumulation boundary layer on the vesicle interior surface, \bn is the unit normal vector of the vesicle boundary, K_\perp is the membrane permeability, \eta_e is the viscosity of the solvent, and \ell_m is the membrane thickness.