The DS --water electrostatics appears to be the sum of three distinct overlapping features, with maxima at -0.6, 0.3, and 1.0 nm, which likely reflects three different water environments. A comparison with the C 12 E 6 head FIG. . Potential energy decompositions for DS -binding to each interface as a function of DS -z-position from the water GDI: (a) DS --C12E6 interactions for DS -binding to the ACWI, (b) DS --water interactions for DS -binding to the ACWI, (c) DS --water interactions for DS -binding to the AWI. Each panel shows the total electrostatic energy, the total LJ energy, and the component of the LJ energy due to interactions with the DS -tail group. The two vertical lines in panel a show the maxima of the C12E6 head and tail group densities. It is important to recognize that the z-position CV corresponds to the position of the DS -COM relative to the interface, while the SO4 and terminal CH3 groups can lie as far as 0.5 and 1 nm from the COM, respectively, when DS -is in a linear conformation.