Lattice models of water and hydrophobic effect
Alessandro Pelizzola


Abstract
Two- and three- dimensional models of network-forming fluids are investigated, by means of cluster variation method and Monte Carlo simulations. It is shown that the models display water-like thermodynamic anomalies. The possibilities of a second critical point and a reentrant spinodal are also discussed. The models are then generalized in order to incorporate apolar solutes, and typical signatures of hydrophobic hydration are found: large negative transfer entropies, large positive transfer free energy and heat capacity.

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Elenco dei partecipanti al convegno di Bari.

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