Thermodynamic evaluation and optimization of the CH3COOLi-CH3COOK-CH3COOCs system using the Modified Quasichemical Model

A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the CH3COOLi-CH3COOK-CH3COOCs system, and optimized model parameters have been found which best reproduce all available experimental data simultaneously. The CH3COOLi-CH3COOK-CH3COOCs system may be used in supported molten salt catalysis. The Modified Quasichemical Model for short-range ordering was used for the molten salt phase. No ternary model parameters were required for the liquid phase; the optimized binary parameters suffice to reproduce satisfactorily the available experimental data for the ternary system using a standard symmetric interpolation method. The calculated (predicted) minimum liquidus temperature corresponds to a ternary eutectic at T = 368 K, with a liquid composition of (22.4 mol% CH3COOLi + 32.3 mol% CH3COOK + 45.3 mol% CH3COOCs). This relatively low liquidus temperature makes the ternary mixture an interesting alternative to ionic liquids.