Notably, there is a minimum and maximum of E DS -,W ⊕C (z), and -T S DS -,W ⊕C (z), respectively, at around -0.5 nm due to the DS -insertion into the C 12 E 6 monolayer. The minimum in E DS -,W ⊕C (z) is mostly due to the attractive DS --C 12 E 6 LJ interaction overpowering the repulsive DS --water interactions from partial desolvation (Fig. and). The 10 k B T barrier in -T S DS -,W ⊕C (z) is due to a broadening of the E DS -,W ⊕C (z) distribution (Sec. II D) due to the forced structuring of DS -and the solvent as DS -begins its insertion. Part of this repulsion is due to the reduction in the DS -orientational entropy, although this contribution is only around 2 k B T (SI).