A cellular automata model of diffusion in aqueous systems

J Pharm Sci. 1997 Jul;86(7):774-8. doi: 10.1021/js9700513.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Diffusion
  • Models, Chemical
  • Solutions / chemistry*
  • Temperature
  • Water / chemistry*

Substances

  • Solutions
  • Water