THE ENTROPY-DRIVEN HYDROPHOBIC EFFECT AS A FUNCTION OF SOLUTE SOLVENT INTERACTIONS - A MOLECULAR-DYNAMICS STUDY

被引：12
|
作者：
JUNGWIRTH, P
ZAHRADNIK, R
机构：
[1] J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 18223 Prague 8
来源：
CHEMICAL PHYSICS LETTERS | 1994年 / 217卷 / 03期
关键词：
D O I：
10.1016/0009-2614(93)E1402-3
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The character of the water-induced interaction between two non-polar solutes as a function of the solute-solvent attraction and the solute size is studied via a molecular dynamics simulation. The results are quantified in terms of the solvent-induced potential of mean association/dissociation, the entropic part of which is explicitly evaluated, and the solute osmotic second virial coefficient.
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页码：319 / 324
页数：6
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