Thermodynamic Description of the MCl2-ThCl4 (M:Mg, Ca, Sr, Ba) Systems

doi:10.1007/s40242-017-7033-x

Chemical Research in Chinese Universities ›› 2017, Vol. 33 ›› Issue (5): 794-798.doi: 10.1007/s40242-017-7033-x

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Thermodynamic Description of the MCl₂-ThCl₄ (M:Mg, Ca, Sr, Ba) Systems

XIE Mengya^1,2, LI Xiang¹, DING Yaping², ZHANG Guoxin¹

1. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, P. R. China;
2. Department of Chemistry, Shanghai University, Shanghai 200444, P. R. China

Received:2017-01-20 Revised:2017-03-10 Online:2017-10-01 Published:2017-04-11
Contact: DING Yaping,E-mail:wdingyp@sina.com;ZHANG Guoxin,zhangguoxin@sinap.ac.cn E-mail:wdingyp@sina.com;zhangguoxin@sinap.ac.cn
Supported by:
Supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XD02002400).

Abstract

Abstract:

The phase equilibria for the MCl₂-ThCl₄(M:Mg, Ca, Sr, Ba) binary systems were critically evaluated and optimized based upon the CALPHAD approach. The substitutional solution model(SSM) was used to describe the liquid phase. All the intermediate compounds were treated as stoichiometric compounds of which Gibbs energies comply with the Neumann-Kopp rule. Thermodynamic model parameters optimization for respective phases was conducted by the least squares minimization procedure with required input data available from experimental measurements. Satisfactory agreements between all calculated results and experimental data were achieved which demonstrates that thermodynamic databases for the MCl₂-ThCl₄(M:Mg, Ca, Sr, Ba) binary systems were ultimately derived in the present work allowing safe extrapolation into multi-component system for guiding relative industrial applications.

Key words: Thermodynamics, Molten salt, Phase diagram

XIE Mengya, LI Xiang, DING Yaping, ZHANG Guoxin. Thermodynamic Description of the MCl₂-ThCl₄ (M:Mg, Ca, Sr, Ba) Systems[J]. Chemical Research in Chinese Universities, 2017, 33(5): 794-798.

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Thermodynamic Description of the MCl₂-ThCl₄ (M:Mg, Ca, Sr, Ba) Systems

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