Molecular Dynamics of Nanodroplet Coalescence in Quasi-Saturated Vapor

Abstract

The dynamics of coalescence of small Lennard–Jones droplets as a function of droplet size and temperature is explored with molecular simulations. Droplet sizes vary from several hundred to several thousand molecules, and three different temperatures are explored. As the droplets establish contact, a liquid-like bridge between them forms and grows, ultimately leading to a complete coalescence. The dynamics of the bridge growth are consistent with the “collective molecular jumps” mechanism reported in the literature rather than with the continuous interpretation of the coalescence process in terms of capillary and viscous forces. The effective coalescence time shows a linear growth with the droplet sizes. The influence of the larger droplet size is weaker but non-negligible. Surprisingly, practically no dependence of the coalescence time on the temperature is observed. Comparison of the coalescence times with the droplet lifespan in a suspension shows that for reasonably dense suspensions and small droplet sizes, the coalescence time becomes significant and should be accounted for in the theoretical models of aggregation.