Solubility of simple, nonpolar compounds in TIP4P-Ew

Abstract

We find that the TIP4P-Ew water model simulates the solubility of small, nonpolar solutes better than the other water models currently employed when using Ewald summation. This is in agreement with the findings of Paschek [J. Chem. Phys.120, 6674 (2004)] that the water models that best represent the experimental water density are the best representing the experimental solubility of these species.