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

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-06-29 DOI:10.1016/j.calphad.2024.102722

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

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Abstract

This work examines the thermochemistry of the chromium difluoride CrF $_{2}$ corrosion product in the molten

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

, and

systems. Then, thermodynamic models were developed using the CALPHAD method based on the quasichemical model in the quadruplet approximation.

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熔融 LiF-ThF4 盐体系中 CrF2 腐蚀产物的热力学行为

这项研究探讨了二氟化铬 CrF2 腐蚀产物在熔融燃料盐系统中的热化学特性。通过结合实验研究和热力学模型评估，该研究阐明了从结构材料溶解到熔盐燃料环境中的 CrF2 腐蚀产物的热力学性质、相图平衡和整体热力学行为。在这项工作中，针对纯净的 CrF2 开发了两种不同的合成方法，从而可以进一步通过实验测量、、和系统中的相平衡。然后，根据四元近似的准化学模型，使用 CALPHAD 方法建立了热力学模型。

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来源期刊

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

审稿时长

2.5 months

期刊介绍： The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.