Ion-Based SAFT2 to Represent Aqueous Single- and Multiple-Salt Solutions at 298.15 K

SAFT2 with individual-ion parameters, referred to as ion-based SAFT2, is used to represent the properties of aqueous electrolyte solutions. A new set of parameters for 5 cations (Li +, Na +, K +, Ca 2+, and Mg 2+ ) and 6 anions (Cl -, Br -, I -, NO 3 -, SO 4 2-,and HCO 3 - ) is obtained from the fitting of the experimental mean ionic activity coefficients and liquid densities of 24 aqueous single-salt solutions at 298.15 K. The ion parameters are universal and transferable to different salts containing the same ion. Because of the peculiar segment energy of K +, a mixing rule with a binary interaction parameter for the segment energy describing the short-range interactions between K + and other cations is needed. The binary interaction parameter is derived from the osmotic coefficients of chloride solutions. The predictions of the osmotic coefficients, vapor pressures, and liquid densities of single- and multiple-salt solutions including seawater (brine) are found to agree with experimental data.