Simulation of block copolymer stabilized nanoparticles in a two-solvent system

Abstract

In this paper, by using Brownian Dynamics simulation, we investigate in general terms the behavior of a nanoparticle stabilized by a block copolymer in the presence of an oil–water interface. We investigate the probability of sticking to the interface, the density distribution of the copolymer across the interface and the area occupied by the stabilized nanoparticle at the interface. By using representative snapshots of the stabilized nanoparticle, derived from the density distribution, we find that the nanoparticle stabilized by a block copolymer, with the hydrophobic side of it tethered to the nanoparticle, prefers sitting at the oil-phase, and thus has a contact angle that is tested to be larger than 90° for most of the cases, even if the hydrophobe content is less than 50%. Thus we find the architecture of a block-copolymer attachment to have a significant effect on the emulsion type that would result.