Thermodynamic behavior of CrF2 corrosion product in the molten LiF-ThF4 salt system

T. Dumaire; O. Walter; O. Beneš; J. C. Griveau; E. Colineau; R. J.M. Konings; A. L. Smith

doi:10.1016/j.calphad.2024.102722

Thermodynamic behavior of CrF₂ corrosion product in the molten LiF-ThF₄ salt system

T. Dumaire, O. Walter, O. Beneš, J. C. Griveau, E. Colineau, R. J.M. Konings, A. L. Smith^*

^*Corresponding author for this work

RST/Reactor Physics and Nuclear Materials

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Abstract

This work examines the thermochemistry of the chromium difluoride CrF₂ corrosion product in the molten [Formula presented] fuel salt system. Through a combination of experimental investigations and thermodynamic modeling assessment, the study elucidates the thermodynamic properties, phase diagram equilibria, and overall thermodynamic behavior of CrF₂ corrosion product, following dissolution from a structural material to the molten salt fuel environment. In this work, two different synthesis methods were developed for pure CrF₂, further allowing to experimentally measure the phase equilibria in the [Formula presented], [Formula presented], and [Formula presented] systems. Then, thermodynamic models were developed using the CALPHAD method based on the quasichemical model in the quadruplet approximation.

Original language	English
Article number	102722
Number of pages	15
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	86
DOIs	https://doi.org/10.1016/j.calphad.2024.102722
Publication status	Published - 2024

Keywords

CALPHAD
Chromium
Corrosion
Fluoride salts
Molten salt reactor
Thorium

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10.1016/j.calphad.2024.102722

1-s2.0-S0364591624000646-mainFinal published version, 2.89 MBLicence: CC BY

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title = "Thermodynamic behavior of CrF2 corrosion product in the molten LiF-ThF4 salt system",

abstract = "This work examines the thermochemistry of the chromium difluoride CrF2 corrosion product in the molten [Formula presented] fuel salt system. Through a combination of experimental investigations and thermodynamic modeling assessment, the study elucidates the thermodynamic properties, phase diagram equilibria, and overall thermodynamic behavior of CrF2 corrosion product, following dissolution from a structural material to the molten salt fuel environment. In this work, two different synthesis methods were developed for pure CrF2, further allowing to experimentally measure the phase equilibria in the [Formula presented], [Formula presented], and [Formula presented] systems. Then, thermodynamic models were developed using the CALPHAD method based on the quasichemical model in the quadruplet approximation.",

keywords = "CALPHAD, Chromium, Corrosion, Fluoride salts, Molten salt reactor, Thorium",

author = "T. Dumaire and O. Walter and O. Bene{\v s} and Griveau, {J. C.} and E. Colineau and Konings, {R. J.M.} and Smith, {A. L.}",

year = "2024",

doi = "10.1016/j.calphad.2024.102722",

language = "English",

volume = "86",

journal = "Calphad: Computer Coupling of Phase Diagrams and Thermochemistry",

issn = "0364-5916",

publisher = "Elsevier",

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T1 - Thermodynamic behavior of CrF2 corrosion product in the molten LiF-ThF4 salt system

AU - Dumaire, T.

AU - Walter, O.

AU - Beneš, O.

AU - Griveau, J. C.

AU - Colineau, E.

AU - Konings, R. J.M.

AU - Smith, A. L.

PY - 2024

Y1 - 2024

N2 - This work examines the thermochemistry of the chromium difluoride CrF2 corrosion product in the molten [Formula presented] fuel salt system. Through a combination of experimental investigations and thermodynamic modeling assessment, the study elucidates the thermodynamic properties, phase diagram equilibria, and overall thermodynamic behavior of CrF2 corrosion product, following dissolution from a structural material to the molten salt fuel environment. In this work, two different synthesis methods were developed for pure CrF2, further allowing to experimentally measure the phase equilibria in the [Formula presented], [Formula presented], and [Formula presented] systems. Then, thermodynamic models were developed using the CALPHAD method based on the quasichemical model in the quadruplet approximation.

AB - This work examines the thermochemistry of the chromium difluoride CrF2 corrosion product in the molten [Formula presented] fuel salt system. Through a combination of experimental investigations and thermodynamic modeling assessment, the study elucidates the thermodynamic properties, phase diagram equilibria, and overall thermodynamic behavior of CrF2 corrosion product, following dissolution from a structural material to the molten salt fuel environment. In this work, two different synthesis methods were developed for pure CrF2, further allowing to experimentally measure the phase equilibria in the [Formula presented], [Formula presented], and [Formula presented] systems. Then, thermodynamic models were developed using the CALPHAD method based on the quasichemical model in the quadruplet approximation.

KW - CALPHAD

KW - Chromium

KW - Corrosion

KW - Fluoride salts

KW - Molten salt reactor

KW - Thorium

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U2 - 10.1016/j.calphad.2024.102722

DO - 10.1016/j.calphad.2024.102722

M3 - Article

AN - SCOPUS:85197037368

SN - 0364-5916

VL - 86

JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

M1 - 102722

ER -

Thermodynamic behavior of CrF₂ corrosion product in the molten LiF-ThF₄ salt system

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Keywords

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