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A cellular automata model of the soluble state

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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.

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Authors and Affiliations

  1. Department of Medicinal Chemistry, Virginia Commonwealth University, Richmond, Virginia, 23298, USA

    Lemont B. Kier & Chao‐Kun Cheng

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  1. Lemont B. Kier
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  2. Chao‐Kun Cheng
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Kier, L.B., Cheng, C. A cellular automata model of the soluble state. Journal of Mathematical Chemistry 21, 71–81 (1997). https://doi.org/10.1023/A:1019106015749

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  • DOI: https://doi.org/10.1023/A:1019106015749

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