Solubility of apolar fluids in water: a simple molecular model and theory

A simple molecular model of dilute aqueous solutions based on an extended p rimitive model of water is examined. Theoretical calculations of solubility of nonpolar fluids and related properties do not make use of any a priori knowledge of the properties of water and do not resort to computer simulati on results. It is shown that the model reproduces correctly characteristic temperature dependencies associated with hydrophobic hydration and conseque ntly, unlike existing equations of state, also a maximum of the Henry's law constant at low temperatures. These results are analyzed in detail and for better understanding compared with those for a simple fluid solvent. (C) 2 000 Elsevier Science B.V. All rights reserved.