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Thermodynamic modeling of KF-CrF3 binary system

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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.

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Correspondence to Leidong Xie.

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Supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XD02002400).

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Yin, H., Wang, K., Xie, L. et al. Thermodynamic modeling of KF-CrF3 binary system. Chem. Res. Chin. Univ. 31, 461–465 (2015). https://doi.org/10.1007/s40242-015-4319-8

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  • DOI: https://doi.org/10.1007/s40242-015-4319-8

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