A CELLULAR-AUTOMATA MODEL OF AN AQUEOUS-SOLUTION

被引：25

作者：

KIER, LB ^{[1
]}

CHENG, CK ^{[1
]}

机构：

[1] VIRGINIA COMMONWEALTH UNIV,MED COLL VIRGINIA,DEPT MATH SCI,RICHMOND,VA 23298

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1994年 / 34卷 / 06期

关键词：

D O I：

10.1021/ci00022a016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A cellular automata model of a solute in a solvent (water) has been created based on our previous model of water. By changing the rules for the ingredients of the solution, we observe emergent properties of (1) an increase in ''solubility'' with increased ''temperature'', (2) the disruption of water structure with increasing solute concentration, and (3) the ''structure-making'' effect in water due to solutes which have a decreased affinity for water. This latter configuration is proposed as a model of a nonpolar solute producing a hydrophobic effect.

引用

页码：1334 / 1337

页数：4

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