Thermodynamic Modeling of KF-CrF3 Binary System

doi:10.1007/s40242-015-4319-8

Chemical Research in Chinese Universities ›› 2015, Vol. 31 ›› Issue (3): 461-465.doi: 10.1007/s40242-015-4319-8

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Thermodynamic Modeling of KF-CrF₃ Binary System

YIN Huiqin^1,2,3, WANG Kun^1,2, XIE Leidong^1,2, HAN Han^1,2, WANG Wenfeng¹

1. Shanghai Institute of Applied Physics, Shanghai 201800, P. R. China;
2. Key Laboratory of Nuclear Radiation and Nuclear Energy Technology, Chinese Academy of Sciences, Shanghai 201800, P. R. China;
3. University of Chinese Academy of Sciences, Beijing 100049, P. R. China

Received:2014-08-27 Revised:2014-11-12 Online:2015-06-01 Published:2014-12-01
Contact: XIE Leidong E-mail:xieleidong@sinap.ac.cn
Supported by:
Supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XD02002400).

Abstract

Abstract:

A comprehensive thermodynamic model of KF-CrF₃ system was established. The intermediate phases K₂Cr₅F₁₇, KCrF₄, K₂CrF₅ and K₃CrF₆ were described by the stoichiometric compound model and the liquid phase by associated solution model. All the model parameters were optimized by the experimental phase equilibria data assisted by the first-principles prediction within the framework of the calculation of phase diagram(CALPHAD) method. It is demonstrated that the calculated results are fairly consistent with the experimental data, thus we obtained a set of self-consistent and reliable thermodynamic parameters which could well describe the phase equilibria and thermodynamic properties of KF-CrF₃ system.

Key words: Calculation of phase diagram(CALPHAD), KF-CrF₃, First-principles

YIN Huiqin, WANG Kun, XIE Leidong, HAN Han, WANG Wenfeng. Thermodynamic Modeling of KF-CrF₃ Binary System[J]. Chemical Research in Chinese Universities, 2015, 31(3): 461-465.

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Thermodynamic Modeling of KF-CrF₃ Binary System

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