The hydrophobic effect: Monte Carlo simulations of a simplified model

NARA GUISONI Y VERA BOHOMOLETZ HENRIQUES

São Lourenço, MG, Brasil

Congreso; XXIV Encontro Nacional de Física da Matéria Condensada, Brasil; 2001

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.