A cellular automata model of the soluble state |
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Authors: | Lemont B Kier Chao‐Kun Cheng |
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Institution: | (1) Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, Virginia 23298, USA |
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Abstract: | Cellular automata models of solubilities in a solvent (water) have been dynamically synthesized. Rules relatingwater‐water,
water‐solute, and solute‐solute relationships have been systematically varied in order to assess their influence on the emergent
property of solubility. The results reveal the prominent influence of rules governing the probabilities of solute‐water joining
and breaking. This influence manifests itself in significant changes in the emergent properties of relative solubility and
solubility changes with water“temperature”. The study demonstrates the validity and potential value of cellular automata to
model solution phenomena.
This revised version was published online in July 2006 with corrections to the Cover Date. |
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