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ID 34131
フルテキストURL
著者
Koga, Kenichiro Department of Chemistry, Faculty of Science, Okayama University
抄録
The free energy of the hydrophobic hydration and the strength of the solvent-mediated attraction between hydrophobic solute molecules are calculated in the pressure-temperature plane. This is done in the framework of an exactly soluble model that is an extension of the lattice model proposed by Kolomeisky and Widom [A. B. Kolomeisky and B. Widom, Faraday Discuss. 112, 81 (1999)]. The model takes into account both the mechanism of the hydrophobic effect dominant at low temperatures and the opposite mechanism of solvation appearing at high temperatures and has the pressure as a second thermodynamic variable. With this model, two boundaries are identified in the pressure-temperature plane: the first one within which the solubility, or the Ostwald absorption coefficient, decreases with increasing temperature at fixed pressure and the second one within which the strength of solvent-mediated attraction increases with increasing temperature. The two are nearly linear and parallel to each other, and the second boundary lies in the low-temperature and low-pressure side of the first boundary. It is found that a single, near-linear relation between the hydration free energy and the strength of the hydrophobic attraction holds over the entire area within the second boundary in the pressure-temperature plane. (C) 2004 American Institute of Physics.
キーワード
FREE-ENERGY
AQUEOUS ARGON
DEPENDENCE
WATER
HYDRATION
ENTROPY
MODEL
DENATURATION
SIMULATIONS
ATTRACTION
備考
Digital Object Identifer:10.1063/1.1792571
Published with permission from the copyright holder. This is the institute's copy, as published in Journal of Chemical Physics, Oct 2004, Volume 121, Issue 15, Pages 7304-7312.
Publisher URL:http://dx.doi.org/10.1063/1.1792571
Direct access to Thomson Web of Science record
Copyright © 2004 American Institute of Physics
発行日
2004-10-15
出版物タイトル
Journal of Chemical Physics
121巻
15号
出版者
American Institute of Physics
開始ページ
7304
終了ページ
7312
ISSN
0021-9606
NCID
AA00694991
資料タイプ
学術雑誌論文
言語
English
OAI-PMH Set
岡山大学
著作権者
American Institute of Physics
論文のバージョン
publisher
査読
有り
DOI
PubMed ID
Web of Sience KeyUT
Submission Path
physics_general/24