title: Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid.
abstract: To complete the study on the effect of the long-range part of Coulombic interactions on properties of complex polar and associating fluids, we have investigated in detail three compounds with extreme features: acetonitrile for its unusually large dipole moment, hydrogen fluoride with very strong hydrogen bonding, and formic acid for its potential formation of different n-mers in liquid and gaseous phases. The effect of the long-range Coulombic interactions on both the structure and thermodynamics of the homogeneous phase, and on the vapor-liquid equilibria has been examined using the same decomposition of realistic potential models into a short-range part and a residual part as in the previous paper [Kettler, M.; et al. J. Phys. Chem. B 2002, 106, 7537-7546]. The present results fully confirm the previous findings that the properties of polar and associating systems are determined primarily by the short-range interactions regardless of their nature, i.e., contributions arising from the long-range interactions constitute only a small portion of the total properties, and thus that the short-range potential counterpart of full realistic models can be used as a convenient reference for a successful perturbation expansion.
authors.affiliation: Chemical Sciences Division, Aqueous Chemistry and Geochemistry Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, USA. chialvoaa@ornl.gov
authors.forename: Ariel A
authors.initials: AA
authors.lastname: Chialvo
authors.forename: Matthias
authors.initials: M
authors.lastname: Kettler
authors.forename: Ivo
authors.initials: I
authors.lastname: Nezbeda