In order to differentiate GMO and GMS (and more generally saturated and unsaturated OFMs) in the current MD-MTT framework, a slightly different approach is required. We suggest that the PMF for OFM adsorption should be obtained on iron oxide surfaces partially covered by preformed monolayers with different surface coverages. This type of simulation has been performed previously for alkyl phosphonate monolayers on aluminium oxide surfaces 100 This way, the steric barriers to the formation of high-coverage monolayers could be uncovered. This, however, is likely to require extensive computational resources (several µs of simulation time) and is beyond the scope of this current study.