Brownian dynamics simulations of copolymer-stabilized nanoparticles in the presence of an oil–water interface

We describe predictions of properties of copolymer-stabilized nanoparticles in the presence of an oil–water interface based on Brownian dynamics simulations. These simulations provide information regarding the equilibrium and diffusion properties of the stabilized particles. The hydrophilic part of the copolymer is modeled as a polyelectrolyte and is described at the Debye–Hückel level. Both block and random copolymers are considered. The surface area of particles at the fluid interface and the diffusion properties of the particles give some guidance into the copolymer architectures that may be most useful for stabilizing nanoparticles at fluid interfaces. We find based on our results that a conservative recommendation to enhance transportability in a water phase and attachment to an oil–water interface would be to design nanoparticles with a random copolymer attached to them.

Graphical abstractBrownian dynamics simulations are used to examine segregation of copolymer-stabilized nanoparticles to oil–water interfaces.Figure optionsDownload full-size imageDownload as PowerPoint slide