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Title

A cellular automata model of diffusion in aqueous systems

Authors
Kier, Lemont B.
Cheng, Chao-Kun
Testa, Bernard
Published in Journal of Pharmaceutical Sciences. 1997, vol. 86, no. 7, p. 774-778
Abstract 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.
Keywords DiffusionModels, ChemicalSolutions/*chemistryTemperatureWater/*chemistry
Stable URL http://archive-ouverte.unige.ch/unige:10594
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PMID: 9232515
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