We observed a significant change in the density profiles of PAO4 for the different solid-liquid potentials. In all cases, the PAO4 density profile exhibits oscillatory behaviour in the region near the interface. This behaviour arises from the organisation of PAO4 molecules into layers near the surface, due to the strong intermolecular interactions between PAO4 molecules and the Fe 2 O 3 surface. The first adsorption layer, situated nearest to the Fe 2 O 3 surface, displays the highest density and is followed by a series of peaks of diminishing density as the distance from the surface is increased. At a distance of ∼ 25 Å from the surface, the density profiles level and approach the bulk liquid density (0.8 g/cm 3 ). The layering of PAO4 molecules near the interface did not significantly affect the fluids thermal conductivity, as shown by the consistent temperature gradient observed in both the bulk and interfacial liquid regions in Figure . This finding aligns with previous NEMD simulations that examined the effect of liquid ordering on heat flow in an atomic LJ solid-liquid system. The peak density of the first adsorption layer, ρ max , was found to increase with the strength of the solid-liquid LJ potential, whilst the average density in the bulk region of the liquid layer remained unchanged, Figure