Simulating interactions between nanoparticles in Lennard-Jones liquids

Abstract

Off-lattice Monte Carlo simulations in the NVT ensemble are employed to study the interaction forces between nanoparticles in Lennard-Jones (L-J) liquids. We consider solvophilic, neutral and solvophobic interactions between the solvent atoms and those that make up the nanoparticles. Neutral and solvophobic nanoparticles are found to coalesce even at intermediate distances. On the other hand, solvophilic nanoparticles are found to be more stable in solution due to the formation of a solvent shield. © 2013 Elsevier B.V. All rights reserved.