Theory of infinite dilution chemical potential

Hamad, F. and Mansoori, G.A., 1993. Theory of infinite dilution chemical potential. Fluid Phase Equilibria, 85: 141151. Exact expressions for the infinite dilution chemical potential in terms of the pair correlation function are derived. Appropriate approximations are introduced in these expressions to derive simple equations for the infinite dilution chemical potential in terms of molecular size and energy, and the solvent thermodynamic properties. The predictions of these simple equations are compared with computer simulation data and are found to be accurate for small solute molecules and within the uncertainties of the simulation data for large solute molecules. The new equations perform better than the van der Waals solution theory for small solute molecules, but no definite conclusion was possible for large solute molecules because of the large uncertainties in the simulation data for these molecules.