Effect of shape anisotropy on the precipitation of dimeric nanoparticles

Abstract

We use grand canonical transition matrix Monte Carlo simulations to study the precipitation of dimeric nanoparticles. The dimers are composed of two particles having different chemical features and separated by a fixed distance. The non-attractive and attractive parts of the dimer are modeled using hard-sphere and square-well potentials, respectively. The shape anisotropy is altered by changing the relative sizes of the two particles. We observe that the stability of the nanosuspension increases with the increase in the size of the non-attractive part of the dimer. The precipitates of dimers having larger non-attractive parts have lower packing densities, contain large cavities, and show evidence of self-assembly in the bulk and on the surface. We also use the results from our simulations and the classical nucleation theory to study the kinetics of precipitation. At a given temperature and relative supersaturation, the rate of homogeneous nucleation increases with the increase in the size of the non-attractive parts. Finally, we use an example to show how our results can guide the design of nanosuspensions containing chemically anisotropic dimers that are stable under particular conditions.