Adsorption
of oil droplets on different hydrophilic and hydrophobic
silica surfaces was studied by molecular dynamics simulations. The
surfaces included fully hydrophilic, 50% hydrophobic, and fully hydrophobic
silica, and the oil droplet belongs to a heavy oil drop containing
asphaltenes and resins. The simulated results showed that the oil
droplet is easier to adsorb on the fully hydrophobic system, and the
oil phase moves faster than that on the other silica surface. After
adsorption of the oil drop finished, the asphaltene and resin molecules
on different surfaces showed different aggregated structure. On the
fully hydrophilic surface, the asphaltene and resin molecules aggregate
through a face-to-face stacking interaction, and they adsorbed vertically
on the silica surface. This is attributed to formation of hydrogen
bonding between the model molecules (asphaltenes and resins) and the
silica surface. This result indicates that the hydrophilic surface
has a stronger interaction with the asphaltenes and resins than the
other surfaces. The calculated free energy of adsorption of the model
molecules on different surfaces further proves that the fully hydrophilic
surface has a stronger adsorption capacity to heavy oil drop.