Besides circumovalene, various intermediate PAH sizes have been identified inside injector deposits. To rationalise the effect of PAH size on adsorption, we carry out a subset of simulations with the smaller PAHs using iso-octane as the base solvent, whose molecular structures are shown in Figure . The adsorption PMFs are shown in Figure for the planar coronene (C 24 H 12 ) and Figure for contorted hexa-cata-benzocoronene (C 48 H 24 ).