Effective Potential Between Nanoparticles In Suspension

Abstract

      Results of Molecular Dynamics simulations are presented for the pair distribution function between nanoparticles in an explicit solvent as a function of nanoparticle diameter and interaction strength between the nanoparticle and solvent. Effect of including the solvent explicitly is demonstrated by comparing the pair correlation function of nanoparticles to that in an implicit solvent. The nanoparticles are modeled as a uniform distribution of Lennard-Jones particles, while the solvent is represented by standard Lennard-Jones particles. The diameter of the nanoparticle is varied from 10 to 25 times that of the solvent for a range of nanoparticle volume fractions. As the strength of the interactions between nanoparticles and the solvent increases, the solvent layer surrounding the nanoparticle is formed which increases the effective radii of the nanoparticles. The pair correlation functions are inverted using the Ornstein-Zernike integral equations to determine an effective pair potential between the nanoparticles mediated by the explicit introduction of a solvent.