(503f) Modeling Water-Alcohol (C1-C3) Mixed-Solvent Electrolyte Solutions with Association Electrolyte Nonrandom Two-Liquid Activity Coefficient Model

Recent studies have shown the utility of the association electrolyte nonrandom two-liquid activity coefficient model (association model) in thermodynamic modeling of aqueous electrolyte solutions with high surface charge density ions (e.g., Li+, rare earth element, etc.). Capturing both the self- and cross-association behavior with a species-based association term added to the original eNRTL model, the association model should be particularly effective in describing thermodynamic properties of water-alcohol mixed-solvent electrolyte solutions where, in addition to hydration of ions and formation of ion pairs, solvents self- and cross-associate. In this work, we report thermodynamic modeling of various thermodynamic and phase equilibria data with the association model for the mixed-solvent electrolyte solutions of water-methanol, water-ethanol, water-1-propanol, and water-2-propanol with alkali chlorides. The association model shows major improvement over the eNRTL model in both correlating thermodynamic properties of single-solvent electrolyte solutions and predictions for mixed-solvent electrolyte solutions.