Vortex formation in coalescence of droplets with a reservoir using molecular dynamics simulations

Abstract

The flow patterns generated by the coalescence of aqueous ethanol droplets with a water reservoir are investigated using molecular dynamics simulations. The influence of surface tension gradient, which leads to the spreading of the droplet along the liquid-vapor interface of the reservoir, is studied by changing the ethanol concentration of the droplet. The internal circulation (vortex strength) of the droplet and the reservoir are analyzed separately. Simulation results reveal the formation of swirling flows within the droplet at early times when the radius of the coalescence neck due to the capillary forces increases rapidly with time. The vortex strength is found to be higher at lower concentrations of ethanol (higher liquid-vapor surface tension of the droplet), where the driving force for the contact line movement (capillary force) is stronger. The circulation diminishes by moving the center of mass of the droplet toward the reservoir. The lower surface tension of the droplet compared to the reservoir leads to surface tension gradient driven flow, which transports the droplet molecules along the liquid-vapor interface of the reservoir. Such a flow motion results in the generation of convective flows in the underlying water, which forms swirling flows within the reservoir. Therefore, the vortex strength of the reservoir is higher at higher ethanol concentrations of the droplet. The reservoir circulation decays to zero as soon as the ethanol concentration becomes homogeneous along the interface of the pool. The time evolution of circulation within the droplet and the reservoir are correlated with the center of mass motion of the droplet toward the surface, the time variation of the precursor film radius and the dynamic surface tension of the reservoir.

Keywords: Coalescence; Molecular simulation; Vortex formation; Wetting.