Interestingly, the DS --water interaction decomposition for DS -binding to the AWI shown in Fig. is qualitatively different than DS --water interactions for DS -binding to the ACWI. In particular, the electrostatic contribution is far less repulsive at the AWI, indicating that the presence of C 12 E 6 leads to large differences in the water structure around the ACWI compared to that of the AWI. Looking at the density of water surrounding the DS -head group as a function of DS - z-position for DS -adsorbing to either interface shown in the SI, it is clear that the difference in DS --water electrostatics between the two binding processes is due to different amounts of water-desolvation resulting from DS -surface adsorption. Specifically, it shows that when DS -binds to the AWI, the head group remains relatively well-water-solvated, the degree of which is close to that of DS -in bulk water, while the head group becomes largely water-desolvated when DS -binds to the ACWI. Note that this kind of effect is precisely captured by the third-order mixing term, F