en
Scientific article
English

A cellular automata model of the hydrophobic effect

Published inPharmaceutical research, vol. 12, no. 4, p. 615-620
Publication date1995
Abstract

Dynamic simulations of solute molecules in water are made using cellular automata. By varying the parameter governing the breaking probability of water-solute tesselated pairs, sets of configurations were modeled of solutions ranging from polar to non-polar solutes. The emergent behavior of the non-polar solute models leads us to believe that this is a possible model of the hydrophobic effect.

Keywords
  • Models, Chemical
  • Solubility
  • Water
Affiliation Not a UNIGE publication
Citation (ISO format)
KIER, Lemont B. et al. A cellular automata model of the hydrophobic effect. In: Pharmaceutical research, 1995, vol. 12, n° 4, p. 615–620.
Identifiers
ISSN of the journal0724-8741
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