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

  • Johnathon C. Ard
  • , Juliano Schorne-Pinto
  • , Mina Aziziha
  • , Jacob A. Yingling
  • , Amir M. Mofrad
  • , Kaitlin E. Johnson
  • , Clara M. Dixon
  • , Theodore M. Besmann

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

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 languageEnglish
Article number106931
JournalJournal of Chemical Thermodynamics
Volume177
Early online dateSep 30 2022
DOIs
StatePublished - Feb 2023
Externally publishedYes

Keywords

  • CALPHAD
  • Chloride salts
  • Fluoride salts
  • Modified quasichemical model
  • Molten salt reactor
  • Thermodynamic modeling

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