A cellular automata model of diffusion in aqueous systems.
A cellular automata model of a solute diffusing in water has been created and studied for the influential attributes. The results with this model are in agreement with experimental results; that is, that lipophilic solutes diffuse faster than do polar solutes. The model reveals that a solution composed of a relatively lipophilic solute permits a greater extent of diffusion of another solute. This observation is in agreement with the model showing a diffusion preference of a solute between two solutions made up of differing polarities. The solute diffuses farther into the lipophilic solution. A temperature-lipophilicity phase diagram shows the influence of these two attributes on the rate of diffusion. A model of diffusion through solutions containing stationary ingredients reveals a faster rate when the ingredient is lipophilic. We are led to a conclusion that the relative lipophilicity of solutes or stationary ingredients in a solution has a direct influence on the rates of diffusion of other solutes in their midst.
Kier
L B
LB
Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond 23298, USA.
Cheng
C K
CK
Testa
B
B
Carrupt
P A
PA
D004058:Diffusion; D008956:Models, Chemical; D012996:Solutions / Q000737:chemistry*; D013696:Temperature; D014867:Water / Q000737:chemistry*
D012996:Solutions; D014867:Water