Figure 6. Ethanol effects on hydration property of nanopores.

All 2D PMFs were calculated as a function of pore ethanol and water numbers for a nanopore with a radius 6 Å and height of 16 Å. The ethanol volume fraction is A) 5%, B) 13%, C) 23%, and D) 40%. Black contour lines and color bar ticks are drawn at the same energy levels and are distributed quadratically. In each panel, the marginal projections are the 1D PMFs along N_water (top) and N_ethanol (left). The convergence of these free energy surfaces is illustrated in Figure S11.