A Simplified model for the hydrophobic effect: Monte Carlo simulations

NARA GUISONI AND VERA BOHOMOLETZ HENRIQUES

Belo Horizonte, MG, Brasil

Conferencia; Ising Centennial Colloquium (a satellite conference of the ICM2000); 2000

Square water takes into account the directionality of hydrogen bonds. The model is reviewed and its properties as a solvent for apolar particles are studied through Monte Carlo simulations. Specific heat measurements are used to identify phase separation. Data for comparison with the lattice gas on the square lattice are presented and the relation to non-associating solvents is discussed. Data for the frequency of hydrogen bonds as a function of temperature indicate a slower rate of bond breaking for the hydration shell as compared to bulk water particles.