Weighted density functional theory of the solvophobic effect - art. no. 021512

We are interested in the spatial density of a molecular fluid in the presen ce of a solute of arbitrary size and shape. The density functional is writt en as the sum of a F-0[rho (r)] that effectively describes small deviations around the uniform density, plus an energy density part that is responsibl e for formation of liquid-vapor interface. Using the weighted density appro ach, we require the density functional to match with several observed prope rties of the fluid such as equation of state and surface tension. We also s how that weighting functions for calculating the weighted density can be ob tained from experimental data. Using these elements, we construct a spatial density functional theory of water and apply it to obtain densities and so lvation energies of a hard-sphere solute with encouraging results.