Hydrophobicity in a simple model of water: Entropy penalty as a sum of competing terms via full, angular expansion

A multiparticle expansion of the entropy was used to test the hypothesis that the entropy of solvation is the sum of two competing terms, explicitly by calculating two-body contribution for MB water, and a dilute hydrophobic solution. For this purpose, full angle-dependent pair correlation functions were calculated. It was determined that the two-body overestimates the exact entropy at low temperatures for both the pure liquid and for simple nonpolar solute transfers.