Abstract
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.
| Original language | English |
|---|---|
| Article number | 106931 |
| Journal | Journal of Chemical Thermodynamics |
| Volume | 177 |
| Early online date | Sep 30 2022 |
| DOIs | |
| State | Published - Feb 2023 |
| Externally published | Yes |
Keywords
- CALPHAD
- Chloride salts
- Fluoride salts
- Modified quasichemical model
- Molten salt reactor
- Thermodynamic modeling
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