Thermodynamic modeling of LiF-NaF-KF-CrF3 system

Thermodynamic modeling of LiF-NaF-KF-CrF3 system Journal of Fluorine Chemistry 209 (2018) 6–13 Contents lists available at ScienceDirect Journal of Fluorine Chemistry journal homepage: www.elsevier.com/locate/fluor Thermodynamic modeling of LiF-NaF-KF-CrF system a,1 a,1 a,1 a,1 a,b,1 a,b,1 Huiqin Yin , Peng Zhang , Xuehui An , Jinhui Cheng , Xiang Li , Shuang Wu , ⁎ ⁎ c,1 a, ,1 a, ,1 Xijun Wu , Wenguan Liu , Leidong Xie Center for Thorium Molten Salts Reactor System, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, PR China University of Chinese Academy of Sciences, Beijing 100049, PR China University of South China, Hengyang 421001, PR China ARTICLE I NFO ABSTRACT Keywords: The thermodynamic evaluation and optimizations of the KF-CrF and NaF-CrF systems were carried out within 3 3 KF-CrF 3 the framework of CALPHAD (CALculation of PHAse of Diagrams) approach. The liquid phase was described by NaF-CrF the associated solution model, and the intermediate phase were treated as stoichiometric compound model. All CALPHAD the model parameters were optimized based on the experimental phase equilibria data from experimental First-principles measurements and theoretical predictions (First-principles calculation and empirical equation). A set of self- LiF-NaF-KF-CrF consistent and reliable thermodynamic parameters was obtained, which can well describe the http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Fluorine Chemistry Elsevier

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Publisher
Elsevier
Copyright
Copyright © 2018 Elsevier B.V.
ISSN
0022-1139
eISSN
1873-3328
D.O.I.
10.1016/j.jfluchem.2018.02.005
Publisher site
See Article on Publisher Site

Abstract

Journal of Fluorine Chemistry 209 (2018) 6–13 Contents lists available at ScienceDirect Journal of Fluorine Chemistry journal homepage: www.elsevier.com/locate/fluor Thermodynamic modeling of LiF-NaF-KF-CrF system a,1 a,1 a,1 a,1 a,b,1 a,b,1 Huiqin Yin , Peng Zhang , Xuehui An , Jinhui Cheng , Xiang Li , Shuang Wu , ⁎ ⁎ c,1 a, ,1 a, ,1 Xijun Wu , Wenguan Liu , Leidong Xie Center for Thorium Molten Salts Reactor System, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, PR China University of Chinese Academy of Sciences, Beijing 100049, PR China University of South China, Hengyang 421001, PR China ARTICLE I NFO ABSTRACT Keywords: The thermodynamic evaluation and optimizations of the KF-CrF and NaF-CrF systems were carried out within 3 3 KF-CrF 3 the framework of CALPHAD (CALculation of PHAse of Diagrams) approach. The liquid phase was described by NaF-CrF the associated solution model, and the intermediate phase were treated as stoichiometric compound model. All CALPHAD the model parameters were optimized based on the experimental phase equilibria data from experimental First-principles measurements and theoretical predictions (First-principles calculation and empirical equation). A set of self- LiF-NaF-KF-CrF consistent and reliable thermodynamic parameters was obtained, which can well describe the

Journal

Journal of Fluorine ChemistryElsevier

Published: May 1, 2018

References

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