Modeling Hofmeister Effects.
A two dimensional model of water, so-called Mercedes-Benz model, was used to study effects of the size of hydrophobic solute on the insertion thermodynamics in electrolyte solutions. The model was examined by the constant pressure Monte Carlo computer simulation. The results were compared with the experimental data for noble gasses and methane in water and electrolyte solution. The influence of different ions at infinite dilution on the free energy of transfer was explored. Qualitative agreement with the experimental results was obtained. The mechanism of Hofmeister effects was proposed.
Hribar-Lee
Barbara
B
Faculty of Chemistry and Chemical Technology, University of Ljubljana, Askerceva 5, 1000 Ljubljana, Slovenia.
Vlachy
Vojko
V
Dill
Ken A
KA