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<p>To clarify the mechanism of Al<sub>2</sub>O<sub>3</sub> in CaO–SiO<sub>2</sub>-based slags, this study employed Raman spectroscopy to analyze the microstructure and degree of polymerization (DOP) of the molten slag (MS) and its quenched sample (QS), respectively. The mechanism of Al<sub>2</sub>O<sub>3</sub> was further analyzed through MD simulation and XPS. As the content of Al<sub>2</sub>O<sub>3</sub> increased from 0 to 10 wt pct, the intensity of the Si–O–Si bending vibration spectral peaks in the Raman spectrum decreased significantly, while the Al–O–Al peak emerged and slightly increased. As the Al<sub>2</sub>O<sub>3</sub> added, the viscosity of slag increased, while the DOP-QS analyzed by Raman at room temperature decreased from 0.985 to 0.384, and the DOP-MS analyzed by <i>in-situ</i> high-temperature Raman was also opposite to the trend of viscosity change. MD simulation and XPS analysis indicated that Al<sub>2</sub>O<sub>3</sub> would promote the polymerization of simple structural units, increasing the concentration of the BO structure and the complexity of the system. As the Al<sub>2</sub>O<sub>3</sub> increased, the proportion of BO structure in MD simulation rose from 31.01 to 46.57 pct. Due to the existence of the “aluminum avoidance” principle, the proportion of Si–O–Al increased by 20.86 pct, while the proportions of Al–O–Al and Si–O–Si increased and decreased by 5.44 and 10.74 pct, respectively. Additionally, the DOP of the Si–O network structure in the system decreased from 2.21 to 1.33, which was consistent with the Raman analysis results. Meanwhile, the overall DOP increased from 0.54 to 1.74, which was in line with the trend of viscosity change in the test.</p>

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In-Depth Discussion of Al2O3 on the Microstructure of Multicomponent CaO–SiO2-Based Mold Slag

  • 期刊论文

  • 发表日期：

    2025年8月13日

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  • Gang Li,
  • Jiahui Dai,
  • Wenhao Yu,
  • Qiangqiang Wang,
  • Shengping He,
  • Xubin Zhang

摘要

To clarify the mechanism of Al2O3 in CaO–SiO2-based slags, this study employed Raman spectroscopy to analyze the microstructure and degree of polymerization (DOP) of the molten slag (MS) and its quenched sample (QS), respectively. The mechanism of Al2O3 was further analyzed through MD simulation and XPS. As the content of Al2O3 increased from 0 to 10 wt pct, the intensity of the Si–O–Si bending vibration spectral peaks in the Raman spectrum decreased significantly, while the Al–O–Al peak emerged and slightly increased. As the Al2O3 added, the viscosity of slag increased, while the DOP-QS analyzed by Raman at room temperature decreased from 0.985 to 0.384, and the DOP-MS analyzed by in-situ high-temperature Raman was also opposite to the trend of viscosity change. MD simulation and XPS analysis indicated that Al2O3 would promote the polymerization of simple structural units, increasing the concentration of the BO structure and the complexity of the system. As the Al2O3 increased, the proportion of BO structure in MD simulation rose from 31.01 to 46.57 pct. Due to the existence of the “aluminum avoidance” principle, the proportion of Si–O–Al increased by 20.86 pct, while the proportions of Al–O–Al and Si–O–Si increased and decreased by 5.44 and 10.74 pct, respectively. Additionally, the DOP of the Si–O network structure in the system decreased from 2.21 to 1.33, which was consistent with the Raman analysis results. Meanwhile, the overall DOP increased from 0.54 to 1.74, which was in line with the trend of viscosity change in the test.