Motion of a nano-ellipsoid in a cylindrical vessel flow: Brownian and hydrodynamic interactions

TL;DR

This study numerically investigates the motion of nano-ellipsoids in cylindrical vessels, analyzing hydrodynamic and Brownian effects, boundary influences, and particle behavior relevant to nanotech and drug delivery.

Contribution

It provides a comprehensive numerical analysis of nano-ellipsoid dynamics in confined flows, incorporating thermal fluctuations and boundary effects, with validation against existing results.

Findings

Boundary modifies velocity autocorrelations, revealing three decay regimes.

Excellent agreement with previous results for the algebraic decay regime.

Quantifies lift and margination tendencies of nanoparticles in vessels.

Abstract

We present comprehensive numerical studies of the motion of a buoyant or a nearly neutrally buoyant nano-sized ellipsoidal particle in a fluid filled cylindrical tube without or with the presence of imposed pressure gradient (weak Poiseuille flow). The Fluctuating hydrodynamics approach and the Deterministic method are both employed. We ensure that the fluctuation-dissipation relation and the principle of thermal equipartition of energy are both satisfied. The major focus is on the effect of the confining boundary. Results for the velocity and angular velocity autocorrelations (VACF and AVACF), diffusivities, and drag and lift forces as functions of shape, aspect ratio, inclination angle, and proximity to the wall are presented. For the parameters considered, the boundary modifies the VACF and AVACF such that three distinct regimes are discernible --- an initial exponential decay, followed by an algebraic decay culminating in a second exponential decay. The first is due to thermal noise, the algebraic regime is due to both thermal noise and hydrodynamic correlations, while the second exponential decay shows the effect of momentum reflection from the confining wall. Our predictions display excellent comparison with published results for the algebraic regime (the only regime for which earlier results exist). We also discuss the role of off-diagonal elements of the mobility and diffusivity tensor that enables the quantification of the degree of lift and margination of the NC in the vessel. Our study covers a range of parameters that are of wide applicability in nanotechnology and in targeted drug delivery related to the health sciences.