Statistical associating fluid theory coupled with restrictive primitive model extended to bivalent ions. SAFT2: 1. Single salt + water solutions.
Statistical associating fluid theory coupled with the 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 five cations (Li(+), Na(+), K(+), Ca(2+), Mg(2+)), six anions (Cl(-), Br(-), I(-), NO(3)(-), SO(4)(-2), HCO(3)(-)), and 24 salts. These parameters, in turn, are shown to predict the osmotic coefficients for single salt + water solutions.
Tan
Sugata P
SP
Soft Materials Laboratory, Department of Chemical and Petroleum Engineering, University of Wyoming, Laramie, Wyoming 82071-3295, USA.
Ji
Xiaoyan
X
Adidharma
Hertanto
H
Radosz
Maciej
M