The computational results showed that the adsorption strength increased in the order SA < GMS < GMO, suggesting that the adsorption energy increases with the number of functional groups that interact with the surface. The stronger adsorption energy for GMO than GMS is due to the additional Z-alkene function group in the tailgroup. The different characteristics of the PMF have been interpreted in terms of headgroup-surface and tailgroup-solvent interactions. Both n-hexadecane and PAO4 give similar results, with the calculations using PAO4