Cellular automata models of chemical systems

被引：16
|
作者：
Kier, LB [1 ]
Cheng, CK
Seybold, PG
机构：
[1] Virginia Commonwealth Univ, Dept Med Chem, Richmond, VA 23298 USA
[2] Virginia Commonwealth Univ, Dept Math Sci, Richmond, VA 23298 USA
[3] Wright State Univ, Dept Chem, Dayton, OH 45435 USA
来源：
SAR AND QSAR IN ENVIRONMENTAL RESEARCH | 2000年 / 11卷 / 02期
关键词：
cellular automata; solution phenomena; kinetic models; in silico experiments; dynamic models;
D O I：
10.1080/10629360008039116
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
This paper describes the use of kinematic, asynchronous, stochastic cellular automata to model liquid properties, solution phenomena and kinetic phenomena encountered in complex biological systems. Cellular automata models of dynamic phenomena represent in silico experiments designed to assess the effects of competing factors on the physical and chemical properties of solutions and other complex systems. Specific applications include solution behavior, separation of immiscible liquids, micelle formation, diffusion, membrane passage, first- and second-order chemical kinetics, enzyme activity and acid dissociation. Cellular automata is thus considered as providing an exploratory method for the analysis of dynamic phenomena and the discovery and understanding of new, unexpected phenomena.
引用
收藏
页码：79 / 102
页数：24
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