CONTINUUM-UNIFORM APPROACH CALCULATIONS OF THE SOLUBILITY OF HYDROCARBONS IN WATER

被引：49

作者：

TUNON, I

SILLA, E

PASCUALAHUIR, JL

机构：

[1] Department de Química-Fisica, Universitat de València

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 203卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(93)85403-B

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 transfer free energies from gas phase to water for some hydrocarbons re calculated by means of a continuum-uniform model of the solvent. For the calculation of the cavitation energy a model based on the surface tension is proposed, The calculated values are compared with the experimental free energies obtained with and without a corrective factor that accounts for the difference in the solute-solvent sizes. Good agreement between the theoretical free energies and the corrected experimental data is obtained. Our calculations seem to show that the hydrophobic effect is directly related to the molecular surface area.

引用

页码：289 / 294

页数：6

共 36 条

[1]

Ben-Naim A., 1980, HYDROPHOBIC INTERACT

[2] SOLVATION THERMODYNAMICS OF NONIONIC SOLUTES [J].