Thermodynamic and Phase Diagram Modeling of CsF-MF4(M=U, Th) Systems

doi:10.1007/s40242-017-6282-z

Chemical Research in Chinese Universities ›› 2017, Vol. 33 ›› Issue (3): 454-459.doi: 10.1007/s40242-017-6282-z

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Thermodynamic and Phase Diagram Modeling of CsF-MF₄(M=U, Th) Systems

LI Xiang^1,2, WANG Kun³, XIE Mengya^1,4, WU Zhu⁵, XIE Leidong¹

1. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, P. R. China;
2. University of Chinese Academy of Sciences, Beijing 100049, P. R. China;
3. Department of Chemical and Materials Engineering, University of Alberta, Edmonton AB T6G 2V4, Canada;
4. College of Sciences, Shanghai University, Shanghai 200072, P. R. China;
5. Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, P. R. China

Received:2016-07-04 Revised:2016-12-24 Online:2017-06-01 Published:2017-04-05
Contact: 10.1007/s40242-017-6282-z E-mail:akun22951@163.com
Supported by:
Supported by the Strategic Priority Research Program of Chinese Academy of Sciences(No.XD02002400) and the National Natural Science Foundation of China(No.21473234).

Abstract

Abstract:

Phase diagrams for the CsF-UF₄ and CsF-ThF₄ systems were modeled in the present work through com-putational thermodynamics. The associate solution model with various complex species(CsMF₅, Cs₂MF₆ and Cs₃MF₇; M=Th, U) was used to thermodynamically describe the binary molten salts. A total of ten intermediate phases were treated as stoichiometric compounds with their Gibbs energies modeled according to the Neumann-Kopp rule. All these model parameters were optimized by the least squares procedure until good coincidence was achieved between the calculated results and most of the experimental data. The derived thermodynamic parameters will be merged into the multicomponent CsF-LiF-BeF₂-ThF₄-UF₄ database for analyzing physicochemical behavior of CsF in the fuel salt of the molten salt breeder reactor.

Key words: Molten salt, Metal fluoride, Thermodynamic and phase diagram modeling

LI Xiang, WANG Kun, XIE Mengya, WU Zhu, XIE Leidong. Thermodynamic and Phase Diagram Modeling of CsF-MF₄(M=U, Th) Systems[J]. Chemical Research in Chinese Universities, 2017, 33(3): 454-459.

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Thermodynamic and Phase Diagram Modeling of CsF-MF₄(M=U, Th) Systems

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