How the liquid-liquid transition affects hydrophobic hydration in deeply supercooled water.
We determine the phase diagram of liquid supercooled water by extensive computer simulations using the TIP5P-E model. We find that the transformation of water into a low density liquid in the supercooled range strongly enhances the solubility of hydrophobic particles. The transformation of water into a tetrahedrally structured liquid is accompanied by a minimum in the hydration entropy and enthalpy. The corresponding change in sign of the solvation heat capacity indicates a loss of one characteristic signature of hydrophobic hydration. The observed behavior is found to be qualitatively in accordance with the predictions of the information theory model of Garde et al.
Paschek
Dietmar
D
Physikalische Chemie, Universität Dortmund, Otto-Hahn-Strasse 6, D-44221 Dortmund, Germany. dietmar.paschek@udo.edu
D001703:Biophysics / Q000379:methods*; D019277:Entropy; D006358:Hot Temperature; D010825:Physics / Q000379:methods; D011312:Pressure; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
D014867:Water