Interfacial energy and the law of corresponding states 2: associated fluids.
A mesoscopic model for the liquid/vapor interface previously developed for nonpolar fluids [J. Phys. Chem. A 2003, 107, 875; 2003, 107, 883] is extended to the case of polar associated compounds. The interfacial energy is factorized in two terms: one corresponding to association depending on the hydrogen bonds density, the other corresponding to the nonpolar contribution. This last term is treated in the framework of the corresponding states formalism similar to the one used in the case of nonpolar fluids [J. Phys. Chem. B 2004, 108, 5951]. The model yields a generalized behavior of the association factor as a function of the dielectric constant for the treated fluids. The calculated surface tension shows a mean error of about 1% for seven compounds having different multivalent H-bond characters.
Universidad de Carabobo, Facultad de Ciencias y Tecnología, FACYT-Química, Venezuela. ajcastel@uc.edu.ve
Aly J
AJ
Castellanos
Germán
G
Urbina-Villalba
Máximo
M
García-Sucre