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<p>The solidification process of industrial silicon (Si) is influenced by impurities, which significantly affect the selectivity and activity of silicone monomer synthesis. This study utilized the molecular interaction volume model (MIVM), factory data, and industrial silicon samples to explore the effects of different Fe concentrations on typical impurity phases in industrial silicon during actual production. At a Fe concentration of 3300 ppmw, Si<sub>7</sub>Al<sub>8</sub>Fe<sub>5</sub> and Si<sub>2</sub>Al<sub>3</sub>Fe phases appeared. At a Fe concentration of 3400 ppmw, the Si<sub>2</sub>Al<sub>3</sub>Fe phase disappeared. The FeSi<sub>2</sub>(Al), Si<sub>8</sub>Al<sub>6</sub>Fe<sub>4</sub>Ca, and FeTiSi<sub>2</sub> phases were consistently present in industrial silicon. The MIVM model prediction indicated that the activity of Ca was negatively correlated with Fe concentration, while the activities of Ti and aluminum (Al) were positively correlated with iron concentration, which was consistent with the actual production process. This study elucidated the influence of Fe concentration on typical impurity phases in industrial silicon and provided a theoretical and technical basis for impurity regulation in the synthesis of organic silicon monomers.</p>

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The Impact of Fe Concentration on Typical Impurity Phases in Industrial Silicon Smelting using the Molecular Interaction Volume Model

  • 期刊论文

  • 发表日期：

    2025年11月29日

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  • Yaopan Hu,
  • Zhengjie Chen,
  • Wenhui Ma,
  • Jijun Wu,
  • Meng Liu,
  • Lin Wang,
  • Junyu Qu,
  • Rui Xie,
  • Xiaowei Gan,
  • Jianhua Wen,
  • Zhongyi Zhang

摘要

The solidification process of industrial silicon (Si) is influenced by impurities, which significantly affect the selectivity and activity of silicone monomer synthesis. This study utilized the molecular interaction volume model (MIVM), factory data, and industrial silicon samples to explore the effects of different Fe concentrations on typical impurity phases in industrial silicon during actual production. At a Fe concentration of 3300 ppmw, Si7Al8Fe5 and Si2Al3Fe phases appeared. At a Fe concentration of 3400 ppmw, the Si2Al3Fe phase disappeared. The FeSi2(Al), Si8Al6Fe4Ca, and FeTiSi2 phases were consistently present in industrial silicon. The MIVM model prediction indicated that the activity of Ca was negatively correlated with Fe concentration, while the activities of Ti and aluminum (Al) were positively correlated with iron concentration, which was consistent with the actual production process. This study elucidated the influence of Fe concentration on typical impurity phases in industrial silicon and provided a theoretical and technical basis for impurity regulation in the synthesis of organic silicon monomers.