Monte Carlo study of interfacial properties of associating fluids.
Canonical Monte Carlo Simulations have been performed to calculate liquid-vapor properties of the associating square well and Lennard-Jones fluids with one and two sites. Simulations were carried out by using several values of reduced temperatures and association energies. The orthobaric densities, as well as the surface tension of associating square well fluids, were calculated and compared with those reported previously in literature; a good agreement was found among them. Results of surface tension of two-sites associating Lennard-Jones fluids are presented here for the first time.
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Programa de Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, 07730 México, D. F., México.