Another factor worth bearing in mind is that the PMF calculation is completely agnostic to both the interaction between molecules in solution. It is possible that reverse micelle formation is more favourable in GMO than GMS, reducing the availability of molecules to adsorb on the hematite surface. For the adsorption energy of SA, several references can be found in the literature. Jahanmir and Beltzer 20 used their model and the Temkin adsorption isotherm as done here to estimate the adsorption energy at full coverage (∆G ads (θ = 1)) obtaining -23 kJ mol -1 . Jaishankar et al. estimated the adsorption energy of SA at infinite dilution computationally, as done here through the PMF of adsorption (∆G 0 = -26.4 kJ mol -1 ) and experimentally with powder adsorption experiments, quartz crystal microbalance and HFRR as done here, obtaining estimates between -26.4 kJ mol -1 and -29.1 kJ mol -1 . These values are in excellent agreement with the computational results presented here, see Table .