Thermodynamic assessments or reassessments of 30 pseudo-binary and -ternary salt systems

JOURNAL OF CHEMICAL THERMODYNAMICS(2023)

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摘要
In conjunction with the development of the Molten Salt Thermal Properties Database-Thermochemical (MSTDB-TC), the thermodynamic assessment and reassessment of 30 systems are detailed. The NdF3-LiF, NdF3-NaF, CrCl3-KCl, CrCl3-MgCl2, and CrCl3-NaCl systems are newly assessed in this work. The remaining 25 systems have been reassessed from published models to ensure compatibility with the MSTDB-TC and reproduction of available data and models. Liquid solutions are modeled using the modified quasichemical model in the quadruplet approximation and solid solutions are modeled using either single sublattice polynomial models or the compound energy formalism. For each system, original and reassessed model parameters are provided and the calculated pseudo-binary phase diagram or pseudo-ternary liquidus projection is compared to available phase equilibria.
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关键词
Thermodynamic modeling,CALPHAD,Molten salt reactor,Modified quasichemical model,Fluoride salts,Chloride salts
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