Thermodynamic modeling of KCl-PrCl3 and KCl-LiCl-PrCl3 systems

Sridar, Soumya; Hao, Liangyan; Xiong, Wei

doi:10.1016/j.calphad.2023.102552

Title: Thermodynamic modeling of KCl-PrCl₃ and KCl-LiCl-PrCl₃ systems

Journal Article · Tue Apr 25 00:00:00 EDT 2023 · Calphad

DOI:https://doi.org/10.1016/j.calphad.2023.102552· OSTI ID:2259247

Sridar, Soumya ^[1]; Hao, Liangyan ^[1];

^[1]

Univ. of Pittsburgh, PA (United States)

Molten salt electrolysis can recover the actinides from spent nuclear fuels, and it involves a eutectic LiCl-KCl in molten form as an electrolyte. During reprocessing, the concentration of fission products such as La, Nd, Pr, etc., increases and affects the recovery efficiency of the electrolyte. In this work, thermodynamic modeling of KCl-PrCl₃ and KCl-LiCl-PrCl₃ systems was carried out using the CALPHAD (Calculation of Phase Diagrams) approach for the first time. The thermodynamic functions for the pure salts were taken from the SGTE (Scientific Group Thermodata Europe) Substances (SSUB) database. The experimental thermochemical and phase equilibria data available in the literature were used as input for the assessment of KCl-PrCl₃ and KCl-LiCl-PrCl₃ systems. The model parameters for the KCl-LiCl system were adjusted to include the new Gibbs energy descriptions for the pure salts. In addition, the sublattice model for the liquid phase in the LiCl-PrCl₃ system was modified and reassessed to ensure the model compatibility for higher-order extrapolation. There is a good agreement between the experimental and calculated thermochemical and phase diagram data for all the optimized constituent binaries and the ternary system. Furthermore, this work will be beneficial for determining the solubility limit of PrCl₃ in molten LiCl-KCl electrolytes and their thermodynamic properties for improving the efficiency of the pyrochemical process.

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Research Organization:: Univ. of Pittsburgh, PA (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP)

Grant/Contract Number:: NE0008958

OSTI ID:: 2259247

Alternate ID(s):: OSTI ID: 2259214

Journal Information:: Calphad, Vol. 81; ISSN 0364-5916

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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