Title: Hydration free energy of hard-sphere solute over a wide range of size studied by various types of solution theories
Author(s):

	N.Matubayasi (Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan; Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan) ,
	M.Kinoshita (Institute for Advanced Energy, Kyoto University, Uji, Kyoto 611-0011, Japan) ,
	M.Nakahara (Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan)

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 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.

Key words: hydration free energy, water, hard sphere, size dependence, energy representation, occupancy distribution
PACS: 05.20.Jj, 61.20.Gy, 61.20.Ne, 61.20.Qg, 61.25.Em, 82.60.Lf

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