A two-state model of hydrophobic hydration that produces compensating enthalpy and entropy changes

被引:181
作者
Lee, B [1 ]
Graziano, G [1 ]
机构
[1] UNIV NAPLES FEDERICO II,DIPARTIMENTO CHIM,I-80134 NAPLES,ITALY
关键词
D O I
10.1021/ja9538389
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Many of the mixture models of water seek to explain the large free energy change associated with hydrophobic hydration by means of changes in the number and character of the hydrogen bonds in water. Al of these models, regardless of detail, are in clash with the idea that hydrogen bond rearrangements will produce changes in both enthalpy and entropy, which largely compensate to produce little net free energy change. One of the simplest and most recent of these mixture models is Muller's two-state model, which produces small enthalpy and large negative entropy changes. In this paper, Muller's model is examined in detail. It is found that only slight changes are required in order for the model to produce nearly compensating enthalpy and entropy changes.
引用
收藏
页码:5163 / 5168
页数:6
相关论文
共 35 条
[31]   SOLVATION - MOLECULAR-DYNAMICS STUDY OF A DIPEPTIDE IN WATER [J].
ROSSKY, PJ ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :1913-1937
[32]  
SOUZA LES, 1994, J CHEM PHYS, V101, P9858
[33]  
Tanford C., 1980, HYDROPHOBIC EFFECT
[34]   MOLECULAR-DYNAMICS STUDY OF METHANE HYDRATION AND METHANE ASSOCIATION IN A POLARIZABLE WATER PHASE [J].
VANBELLE, D ;
WODAK, SJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (02) :647-652
[35]   A THERMODYNAMIC ANALYSIS OF SOLVATION [J].
YU, HA ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04) :2366-2379