Return to the main menu

Statistical Associating Fluid Theory Coupled with Restrictive Primitive Model Extended to Bivalent Ions. SAFT2: I. Single Salt + Water Solutions

by: Sugata P. Tan, Xiaoyan Ji, Hertanto Adidharma, Maciej Radosz

(Journal of Physical Chemistry B, 2006, vol. 110, pp. 16694-16699)

Abstract

Statistical Associating Fluid Theory coupled with Restricted Primitive Model is extended to multivalent ions by relaxing the range of the square-well width parameter, which leads to a new dispersion term approximation and calls for a new set of salt and ion parameters. This new approximation, referred to as SAFT2, requires a single set of parameters derived from the salt (mean ionic) activity coefficients and liquid densities of single-salt solutions for 5 cations (Li+, Na+, K+, Ca+2, Mg+2), 6 anions (Cl-, Br-, I-, NO3-, SO4-2, HCO3-), and 24 salts. These parameters, in turn, are shown to predict the osmotic coefficients for single salt + water solutions.