The difference between the tail LJ and the total LJ curves shows that the DS -head LJ interactions with C 12 E 6 are significant as well. The resolvation of the DS - head group into the C 12 E 6 monolayer is also reflected in the electrostatic interactions, which, due to the close range of the charge-dipole interaction between DS -and the C 12 E 6 ether groups, shows that the DS -head group is resolvated within the C 12 E 6 head group layer. A comparison of these energy decompositions with the C 12 E 6 head and tail densities (reported in the SI) confirms this analysis of the DS -head group resolvation.