A lattice Boltzmann model for self-diffusiophoretic particles near and at liquid–liquid interfaces

Abstract

We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid–liquid interfaces. Our model features fully resolved solvent hydrodynamics, and, thanks to its versatility, it can handle important aspects of the multiphysics of the problem, including particle wettability and differential solubility of the product in the two liquid phases. The method is extensively validated in simple numerical experiments, whose outcome is theoretically predictable, and then applied to the study of the behavior of active particles next to and trapped at interfaces. We show that their motion can be variously steered by tuning relevant control parameters, such as the phoretic mobilities, the contact angle, and the product solubility.