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Critical Evaluation and Thermodynamic Optimization of the Fe-P System

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Abstract

Thermodynamic optimization of the Fe-P system was performed using the CALculation of PHAse Diagrams (CALPHAD) method based on critical evaluation of all available phase equilibria and thermodynamic data. The Gibbs energies of liquid phase and solid solutions were described using the Modified Quasichemical Model and Compound Energy Formalism, respectively. The Fe-P phase diagram, thermodynamic properties of P in liquid Fe and stability of intermediate iron phosphides (Fe3P, Fe2P, FeP and FeP2) in the entire composition range were reoptimized for resolving the discrepancies left in the previously optimized database. Several problems in previous assessments were resolved, and a more accurate and consistent description of the Fe-P system was achieved compared to experimental data. The distribution of P between molten Fe-P alloys and slag at different temperatures was also calculated to present the applicability of the present work to steel dephosphorization calculation.

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Acknowledgments

We gratefully acknowledge the Steelmaking Consortium Members, Hyundai Steel, Tata Steel Europe, Posco, Doosan Heavy Industry and Construction, Nucor Steel, RioTinto Iron and Titanium, JFE Steel, Nippon Steel Corp., RHI-Magnesita, Voestalpine, SeAh Besteel and Natural Science and Engineering Research Council of Canada for supporting the present project. This work was also supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (Grant No. 2020R1A5A6017701).

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  1. Department of Mining and Materials Engineering, McGill University, 3610 University Street, Montreal, QC, H3A 0C5, Canada

    Zhimin You

  2. Department of Materials Science and Engineering, and Research Institute of Advanced Materials (RIAM), Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul, 08826, South Korea

    In-Ho Jung

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  1. Zhimin You
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Correspondence to In-Ho Jung.

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Manuscript submitted April 27, 2020.

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You, Z., Jung, IH. Critical Evaluation and Thermodynamic Optimization of the Fe-P System. Metall Mater Trans B 51, 3108–3129 (2020). https://doi.org/10.1007/s11663-020-01939-0

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