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

•Thermodynamic model for the CH3COOLi–CH3COOK–CH3COOCs system.•The Modified Quasichemical Model was used for the molten salt phase.•A ternary eutectic was predicted at T=368K. A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed ph...

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Bibliographic Details
Published in:Fluid phase equilibria 2015-11, Vol.406, p.134-141
Main Authors: Gbassi, Gildas K., Robelin, Christian
Format: Article
Language:English
Subjects:
Binary systems (materials)
CALPHAD method
Eutectic composition
Fused salts
Liquidus
Mathematical models
Molten alkali acetates
Order disorder
Ternary systems
Thermodynamic database
Thermodynamic modelling
Thermodynamics
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Summary:•Thermodynamic model for the CH3COOLi–CH3COOK–CH3COOCs system.•The Modified Quasichemical Model was used for the molten salt phase.•A ternary eutectic was predicted at T=368K. 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=368K, with a liquid composition of (22.4mol% CH3COOLi+32.3mol% CH3COOK+45.3mol% CH3COOCs). This relatively low liquidus temperature makes the ternary mixture an interesting alternative to ionic liquids.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2015.06.044