Rheology of colloidal suspensions in confined flow: Treatment of hydrodynamic interactions in particle-based simulations inspired by dynamical density functional theory

摘要

We investigate the microstructure and rheology of a hard-sphere suspension in a Newtonian fluid confined in a cylindrical channel and undergoing pressure-driven flow using Monte Carlo simulations. We develop a hydrodynamic framework inspired by dynamical density functional theory approaches in which the contributions due to various flow-induced hydrodynamic interactions (HI) are included in the form of thermodynamic work done by these HI-derived forces in displacing the hard spheres. Using this framework, we can self-consistently determine the effect of the local microstructure on the average flow field, and vice versa, and coevolve the inhomogeneous density distribution and the flattening velocity profile with increase in the density of suspended particles. Specifically, we explore the effect on the local microstructure due to the inclusion of forces arising from confinement-induced inertial effects, forces due to solvent-mediated interparticle interactions, and the dependence of the diffusivity on the local density. We examine the dependence of the apparent viscosity of the suspension on the volume fraction of hard spheres in the cylinder, the flow rate, and the diameter of the cylinder and investigate their effects on the local microstructure.