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Oxidation Kinetics and Mechanism of Boron in Metallurgical-Grade Silicon Melt by CaO-SiO2 Slag Refining

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Abstract

Kinetic research on impurity removal from metallurgical-grade silicon is an important theoretical basis for silicon product upgrading and optimization. In this paper, the oxidation mechanism of boron removal from metallurgical-grade silicon by CaO-SiO2 slag at 1823 K was investigated by experimental measurements and ab initio molecular dynamics simulation calculation. By fitting the relationship between refining time and boron concentration in refined silicon, the apparent rate constant and the mass transfer coefficient of boron were obtained. The experimental results showed that there was no significant change in silicon loss rate with increasing refining time. Ab initio molecular dynamics simulation shows that there was an interaction between boron atom and three O atoms in the silicon melt, which results in the oxidation of boron in silicon to borate \(\text{(}{\text{BO}}_{3}^{3-}\text{)}\). The particle trajectories in CaO-SiO2 molten slag were statistically analyzed by Materials Studio software, and it is calculated that the diffusion coefficient \({D}_{\text{B}}\) of boron in CaO-SiO2 slag at 1823 K was found to be 1.29 × 10−8 m2·s−1.

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Acknowledgments

The authors wish to acknowledge the financial support on this research from the National Natural Science Foundation of China (22078140), the Talent Training Program of Yunnan of China (202005AC160041), and the major R&D project of Yunnan of China (202002AB0800020102).

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On behalf of all authors, the corresponding author states that there is no conflict of interest.

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Authors and Affiliations

  1. Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming, 650093, P.R. China

    Qian He, Naiyong He, Ding Yang, Jijun Wu, Kuixian Wei & Wenhui Ma

  2. The National Engineering Laboratory for Vacuum Metallurgy, Kunming University of Science and Technology, Kunming, 650093, P.R. China

    Jijun Wu, Kuixian Wei & Wenhui Ma

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  1. Qian He
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  2. Naiyong He
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Correspondence to Jijun Wu or Kuixian Wei.

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He, Q., He, N., Yang, D. et al. Oxidation Kinetics and Mechanism of Boron in Metallurgical-Grade Silicon Melt by CaO-SiO2 Slag Refining. Metall Mater Trans B 53, 1841–1850 (2022). https://doi.org/10.1007/s11663-022-02493-7

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