Forschungszentrum Jülich
in der Helmholtz-Gemeinschaft

Institut für Festkörperforschung (IFF)


Lattice models of the hydrophobic interaction

G.M. Schütz, I. Ispolatov1, G.T. Barkema2 and B. Widom1
1Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, USA
2Instituut voor Theoretische Fysica, Universiteit Utrecht, The Netherlands

We establish the equivalence of various lattice models of the hydrophohic interaction with the Ising model in a magnetic field with temperature-dependent strength. In order to capture the effect of symmetries of the solvent particles we introduce an extended model which is not of the Ising type. Our results for the solubility and the solvent-mediated part of the potential of mean force between solute particles suggest that an increase in symmetry enhances the solubility, but decreases the amplitude and range of the attractive force. This weakening of the hydrophohic effect observed in the model is in agreement with the notion that the effect is entropic in origin.


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Letzte Änderung: 21/03/2001, 09.08
URL: <http://www.fz-juelich.de /iff/report/2000-2001/Abstracts/th2abst3.shtml>