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A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams

  • CHEMICAL THERMODYNAMICS AND THERMOCHEMISTRY
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Abstract

The phase diagrams of the AgCl–Ag2SO4 and AgBr–Ag2SO4 binary systems based on phase equilibria and thermochemical data were evaluated and optimized via the CALPHAD method. Gibbs free energy of liquid phases were described using the substitutional solution model. The compound Ag9Cl(SO4)4 was supposed to be stoichiometric, of which the Gibbs free energy comply with the Neumann–Kopp rule. Self-consistent database with all model parameters were established, and thermodynamic properties (activity) of liquid phase were also calculated for the whole range of compositions according to the Redlich–Kister and Kohler–Toop extrapolation technique, respectively. Results indicate that the calculated data are in excellent agreement with the experimental values reported in the present work. The calculated results involving multi-component systems will be applied to design and prepare composite materials with high ionic conductivity.

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ACKNOWLEDGMENTS

Supported by National Key R&D Program of China (no. 2018YFB1501002), Qinghai Major Science and Technology Projects (no. 2017-GX-A3), National Natural Science Foundation of China (nos. 51801226, 52076006), and “Transformation Technologies for Clean Energy and Demonstration” Strategic Priority Research Program of the Chinese Academy of Sciences (no. XDA21080100).

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Authors and Affiliations

  1. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, 201800, Shanghai, P. R. China

    Yang Wang, Qi Lei, Zejie Fei, Leidong Xie & Zhongfeng Tang

  2. University of Chinese Academy of Sciences, 100049, Beijing, P. R. China

    Yang Wang, Qi Lei & Zhongfeng Tang

  3. Department of Natural Resources of Shaanxi Province, 710082, Xi’an, P. R. China

    Xiang Li

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  1. Yang Wang
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  2. Qi Lei
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  3. Xiang Li
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  4. Zejie Fei
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  5. Leidong Xie
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Correspondence to Xiang Li or Zhongfeng Tang.

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Wang, Y., Lei, Q., Li, X. et al. A CALPHAD Assessment of the Silver Halide–Silver Sulfate Binary Phase Diagrams. Russ. J. Phys. Chem. 95 (Suppl 1), S8–S14 (2021). https://doi.org/10.1134/S0036024421140247

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  • DOI: https://doi.org/10.1134/S0036024421140247

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