Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories

Matubayasi, Kinoshita, Nakahara
2007 Condensed Matter Physics  
The hydration free energy of hard-sphere solute is evaluated over a wide range of size using the method of energy representation, information-theoretic approach, reference interaction site model, and scaled-particle theory. The former three are distribution function theories and the hydration free energy is formulated to reflect the solution structure through distribution functions. The presence of the volume-dependent term is pointed out for the distribution function theories, and the
more » ... s, and the asymptotic behavior in the limit of large solute size is identified. It is indicated that the volume-dependent term is a key to the improvement of distribution function theories toward the application to large molecules.
doi:10.5488/cmp.10.4.471 fatcat:jgbth6y7rna5hi2istunodw7ke