Hydrophobic Hydration of Nonpolar Solutes.II.Analysis of the Role of Repulsive Interactions between Solute and Water in Determining Hydration Structure
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概要
- 論文の詳細を見る
Hydration structure of nonpolar spherical solutes with various radii has beenanalyzed using an integral equation method. Radial distribution functions of solventwater molecules have been evaluated assuming a wide range c>f values for the radii of0 and H atoms, Strikingly different from hard-sphere solvents and the single-sitemodel water, the three-site model water has radial distribution functions of O and Hatoms strongly dependent on solute size, and each of their cc?ntact densities changesoscillatively with increase in solute size. Repulsive interactions of not only 0 atomsbut also H atoms with solute are essential to the formation of such solvation struc-lure. From these results, a physical mechanism for the hydration structure formationis proposed as some network structure due to the H-bonding capability of water issupported by the cooperation of repulsive forces between solute and each of 0 and Hatoms.
- 社団法人日本物理学会の論文
- 1990-03-15
著者
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Soda Kunitsugu
Department Of Science And Mathematics Nagaoka University Of Technology
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Soda Kunitsugu
Department Of Bioengineering Faculty Of Engineering Nagaoka University Of Technology
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