A cellular automata model of chromatography.
Dynamic models of the behavior of solvent and solute molecules can be made using cellular automata. A chromatographic column was represented by use of a cellular automata grid of 43 x 200 spaces. Solvent (mobile phase), solute and stationary phase cells were designated to simulate the chromatographic situation. The movements of solute and solvent cells down the grid were monitored for different numbers of iterations, different flow rates and different affinities of the solutes for the stationary phase and the solvent for itself. The cellular automata dynamics were successfully able to model expected chromatographic behavior except in a few cases where the number of cells was not large enough to provide an average value reflective of the molecular situation.
Kier
L B
LB
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, VA 23298, USA.
Cheng
C K
CK
Karnes
H T
HT
D002469:Cell Separation; D002845:Chromatography / Q000379:methods*; D008954:Models, Biological