Attachment and Detachment of Oil Droplets on Solid Surfaces: Insights from Molecular Simulations

The behavior of oil droplets at solid surfaces is a key aspect of oil production and environmental protection. In this paper, the mechanisms of attachment and detachment of oil aggregates are studied via molecular dynamics simulations. The influence of oil-surface interactions on the shape and structure of adsorbed clusters is discussed. Using selected shape metrics, we prove quantitatively that the shape of oil aggregates changes from almost spherical droplets, through multilayer structures, to monolayer films. The oil detachment from solid surfaces plays a major role in enhanced oil recovery. Here, we investigated oil droplet detachment from the solid surface immersed in Janus nanoparticle suspensions. The nanoparticle is modeled as a dimer built of segments that exhibit different affinities to oil and solvent molecules. Our results indicated that the adsorption of Janus dimers on the surface of oil droplets played an essential role in the oil removal processes. Stronger adsorption causes faster detachment of the oil droplet. Based on our findings, suspensions of Janus dimers can be considered to be high-performance agents in removing oil droplets from solid surfaces.