MONTE-CARLO SIMULATION STUDY ON SOLVATION ENERGY OF POLAR SOLUTIONS

被引：14

作者：

SAITO, M ^{[1
]}

KAKITANI, T ^{[1
]}

机构：

[1] NAGOYA UNIV,FAC SCI,DEPT PHYS,NAGOYA 46401,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 172卷 / 02期

关键词：

D O I：

10.1016/0009-2614(90)87292-Y

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 solvation energy is calculated by Monte Carlo simulation. This solvation energy is compared with values obtained by the mean-spherical-approximation theory and by the Born formula for various cases of the valency and radius of a solute molecule, and packing fraction of the solvent. The magnitude of the dielectric saturation effect on the solvation energy is estimated. © 1990.

引用

页码：169 / 174

页数：6

共 13 条

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