INVESTIGADORES
GUISONI Nara Cristina
artículos
Título:
Square water as a solvent: Monte Carlo simulations
Autor/es:
NARA GUISONI, VERA BOHOMOLETZ HENRIQUES
Revista:
BRAZILIAN JOURNAL OF PHYSICS
Editorial:
Brazilian Physical Society
Referencias:
Año: 2000 vol. 30 p. 736 - 740
ISSN:
0103-9733
Resumen:
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.
