Simulation on the aggregation process of spherical particle confined in a spherical shell

Abstract

The aggregation process of spherical particles confined in a spherical shell was studied by using a diffusion-limited cluster–cluster aggregation (DLCA) model. The influence of geometrical confinement and wetting-like properties of the spherical shell walls on the particle concentration profile, aggregate structure and aggregation kinetics had been explored. The results show that there will be either depletion or absorption particles near the shell walls depending on the wall properties. It is observed that there are four different types of density distribution which can be realized by modifying the property of the inner or outer spherical shell wall. In addition, the aggregate structure will become more compact in the confined spherical shell comparing to bulk system with the same particle volume fraction. The analysis on the aggregation kinetics indicates that geometrical confinement will promote the aggregation process by reducing the invalid movement of the small aggregates and by constraining the movement of those large aggregates. Due to the concave geometrical characteristic of the outer wall of the spherical shell, its effects on the aggregating kinetics and the structure of the formed aggregates are more evident than those of the inner wall. This study will provide some instructive information of controlling the density distribution of low-density porous polymer hollow spherical shells and helps to predict gel structures developed in confined geometries.