Empirical estimation of densities in NaCl-KCl-UCl3 and NaCl-KCl-YCl3 molten salts using Redlich-Kister expansion

Agca, Can; McMurray, Jake W.

doi:10.1016/j.ces.2021.117086

Title: Empirical estimation of densities in NaCl-KCl-UCl₃ and NaCl-KCl-YCl₃ molten salts using Redlich-Kister expansion

Journal Article · Sat Sep 04 00:00:00 EDT 2021 · Chemical Engineering Science

DOI:https://doi.org/10.1016/j.ces.2021.117086· OSTI ID:1823353

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Densities of molten KCl-NaCl-UCl₃ and KCl-NaCl-YCl₃ ternary systems have been estimated using a multidimensional Redlich-Kister model. Temperature and composition dependent Redlich-Kister functions have been used to generate binary interaction parameters in the outlined ternary salt systems. These binary interactions have been used in the extrapolation to ternary system densities. The results of the density extrapolations by Muggianu interpolation scheme provide agreement within 2–3% for the NaCl-KCl-YCl₃ liquids and 11% in NaCl-KCl-UCl₃ liquids compared to the available experimental data. Modeling NaCl-KCl-UCl₃ molten phase density with a ternary interaction parameter improved the agreement within 4%. Thermophysical modeling used in this study has shown promising results for use in other material properties, such as viscosity, thermal conductivity, and heat capacity of the molten salts. Lastly, the outlined modeling method applied in these specific molten salt ternaries can be used for quaternary or higher multicomponent molten salt systems.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1823353

Alternate ID(s):: OSTI ID: 1819968

Journal Information:: Chemical Engineering Science, Vol. 247, Issue N/A; ISSN 0009-2509

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Molten salts
Density
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NaCl-KCl-YCl3
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Redlich-Kister model

Title: Empirical estimation of densities in NaCl-KCl-UCl3 and NaCl-KCl-YCl3 molten salts using Redlich-Kister expansion

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References (34)

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Title: Empirical estimation of densities in NaCl-KCl-UCl₃ and NaCl-KCl-YCl₃ molten salts using Redlich-Kister expansion