Thermodynamic assessment of the LiF-NiF2, NaF-NiF2 and KF-NiF2 systems

J. A. Ocadiz-Flores; E. Capelli; P. E. Raison; R. J.M. Konings; A. L. Smith

doi:10.1016/j.jct.2018.01.023

Thermodynamic assessment of the LiF-NiF₂, NaF-NiF₂ and KF-NiF₂ systems

J. A. Ocadiz-Flores, E. Capelli, P. E. Raison, R. J.M. Konings, A. L. Smith^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › Scientific › peer-review

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Abstract

Using the modified quasi-chemical model in the quadruplet approximation, three new thermodynamic assessments of binary systems useful for the detailed operational design of the Molten Salt Reactor are presented: AF-NiF₂ (A = Li, Na, K). These systems are particularly relevant for the study of the molten salt-structural materials interaction, as the salt containment is made of a Ni-based alloy. Using powder X-ray Diffraction (XRD) and Differential Scanning Calorimetry (DSC), new experimental data were gathered for two of these systems, LiF-NiF₂ and KF-NiF₂, and compared to previous experimental assessments. Our data have confirmed the formation of a (Li_1-2xNi_x)F solid solution. The three thermodynamic models show a very good agreement with the experimental data. The melting point of NiF₂ was measured for the first time to be T = (1629 ± 5) K, and the thermal expansion coefficient for Li₂NiF₄ was found to be α=27.6·10^-6K^-1 in the temperature range T = (298–773) K.

Original language	English
Pages (from-to)	17-26
Number of pages	10
Journal	Journal of Chemical Thermodynamics
Volume	121
DOIs	https://doi.org/10.1016/j.jct.2018.01.023
Publication status	Published - 1 Jun 2018

Bibliographical note

Accepted Author Manuscript

Keywords

CALPHAD
Differential Scanning Calorimetry
Molten Salt Reactor
X-ray diffraction

Access to Document

10.1016/j.jct.2018.01.023

accepted author manuscriptAccepted author manuscript, 790 KBLicence: CC BY-NC-ND

Cite this

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title = "Thermodynamic assessment of the LiF-NiF2, NaF-NiF2 and KF-NiF2 systems",

abstract = "Using the modified quasi-chemical model in the quadruplet approximation, three new thermodynamic assessments of binary systems useful for the detailed operational design of the Molten Salt Reactor are presented: AF-NiF2 (A = Li, Na, K). These systems are particularly relevant for the study of the molten salt-structural materials interaction, as the salt containment is made of a Ni-based alloy. Using powder X-ray Diffraction (XRD) and Differential Scanning Calorimetry (DSC), new experimental data were gathered for two of these systems, LiF-NiF2 and KF-NiF2, and compared to previous experimental assessments. Our data have confirmed the formation of a (Li1-2xNix)F solid solution. The three thermodynamic models show a very good agreement with the experimental data. The melting point of NiF2 was measured for the first time to be T = (1629 ± 5) K, and the thermal expansion coefficient for Li2NiF4 was found to be α=27.6·10-6K-1 in the temperature range T = (298–773) K.",

keywords = "CALPHAD, Differential Scanning Calorimetry, Molten Salt Reactor, X-ray diffraction",

author = "Ocadiz-Flores, {J. A.} and E. Capelli and Raison, {P. E.} and Konings, {R. J.M.} and Smith, {A. L.}",

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doi = "10.1016/j.jct.2018.01.023",

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AU - Ocadiz-Flores, J. A.

AU - Capelli, E.

AU - Raison, P. E.

AU - Konings, R. J.M.

AU - Smith, A. L.

N1 - Accepted Author Manuscript

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Y1 - 2018/6/1

N2 - Using the modified quasi-chemical model in the quadruplet approximation, three new thermodynamic assessments of binary systems useful for the detailed operational design of the Molten Salt Reactor are presented: AF-NiF2 (A = Li, Na, K). These systems are particularly relevant for the study of the molten salt-structural materials interaction, as the salt containment is made of a Ni-based alloy. Using powder X-ray Diffraction (XRD) and Differential Scanning Calorimetry (DSC), new experimental data were gathered for two of these systems, LiF-NiF2 and KF-NiF2, and compared to previous experimental assessments. Our data have confirmed the formation of a (Li1-2xNix)F solid solution. The three thermodynamic models show a very good agreement with the experimental data. The melting point of NiF2 was measured for the first time to be T = (1629 ± 5) K, and the thermal expansion coefficient for Li2NiF4 was found to be α=27.6·10-6K-1 in the temperature range T = (298–773) K.

AB - Using the modified quasi-chemical model in the quadruplet approximation, three new thermodynamic assessments of binary systems useful for the detailed operational design of the Molten Salt Reactor are presented: AF-NiF2 (A = Li, Na, K). These systems are particularly relevant for the study of the molten salt-structural materials interaction, as the salt containment is made of a Ni-based alloy. Using powder X-ray Diffraction (XRD) and Differential Scanning Calorimetry (DSC), new experimental data were gathered for two of these systems, LiF-NiF2 and KF-NiF2, and compared to previous experimental assessments. Our data have confirmed the formation of a (Li1-2xNix)F solid solution. The three thermodynamic models show a very good agreement with the experimental data. The melting point of NiF2 was measured for the first time to be T = (1629 ± 5) K, and the thermal expansion coefficient for Li2NiF4 was found to be α=27.6·10-6K-1 in the temperature range T = (298–773) K.

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