Cellular automata models of chemical systems

Citation
Lb. Kier et al., Cellular automata models of chemical systems, SAR QSAR EN, 11(2), 2000, pp. 79-102
Citations number
48
Categorie Soggetti
Chemistry
Journal title
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
ISSN journal
1062936X → ACNP
Volume
11
Issue
2
Year of publication
2000
Pages
79 - 102
Database
ISI
SICI code
1062-936X(2000)11:2<79:CAMOCS>2.0.ZU;2-9
Abstract
This paper describes the use of kinematic, asynchronous, stochastic cellula r automata to model liquid properties, solution phenomena and kinetic pheno mena encountered in complex biological systems. Cellular automata models of dynamic phenomena represent in silico experiments designed to assess the e ffects of competing factors on the physical and chemical properties of solu tions and other complex systems. Specific applications include solution beh avior, separation of immiscible liquids, micelle formation, diffusion, memb rane passage, first- and second-order chemical kinetics, enzyme activity an d acid dissociation. Cellular automata is thus considered as providing an e xploratory method for the analysis of dynamic phenomena and the discovery a nd understanding of new, unexpected phenomena.