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<p>Blast furnace smelting of limonitic laterite nickel ore produces a CaO–SiO<sub>2</sub>–MgO–Al<sub>2</sub>O<sub>3</sub>–Cr<sub>2</sub>O<sub>3</sub> slag, whose high Cr<sub>2</sub>O<sub>3</sub> content can considerably affect the associated metallurgical properties. In this study, the effects of Cr<sub>2</sub>O<sub>3</sub> content on slag viscosity and structure were investigated. In addition, molecular dynamics (MD) simulations were conducted to elucidate atomic-scale structural evolution. As the Cr<sub>2</sub>O<sub>3</sub> content was increased from 1 to 8 wt pct, the viscosity rose from 0.25 to 0.38 Pa·s. Structural characterisation showed that the content of low-polymerisation units (Q<sup>0</sup> and Q<sup>1</sup>) decreased, whereas that of highly polymerised units increased. Furthermore, the fraction of bridging oxygen (BO) increased, whereas those of non-bridging oxygen and free oxygen decreased. The coordination of Al shifted from AlO<sub>5</sub> and AlO<sub>6</sub> units to tetrahedral AlO<sub>4</sub> units. Further, MD simulations revealed that as the Cr<sub>2</sub>O<sub>3</sub> content was increased from 1 to 8 wt pct, the fractions of BO and tricluster oxygen increased from 47.85 and 3.11 pct to 51.51 and 3.72 pct, respectively, and the structural complexity index increased from 1.03 to 1.23. MD simulations also indicated the formation of a small number of [CrO<sub>4</sub>] tetrahedra. Overall, Cr<sup>3+</sup> mainly functioned as a network former by strengthening linkages between [SiO<sub>4</sub>] and [AlO<sub>4</sub>] tetrahedra and partially occupying tetrahedral sites, leading to progressive network polymerisation and, consequently, higher slag viscosity.</p>

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Effect of Cr2O3 Content on the Viscosity and Structure of Blast Furnace Slag from Limonitic Laterite Nickel Ore: Experiments and Molecular Dynamics Simulations

  • 期刊论文

  • 发表日期：

    2026年6月16日

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  • Xinyi Li,
  • Penghui Guo,
  • Jinao Zhang,
  • Boqiao Qu,
  • Donghui Wei,
  • Qingzhang Tian,
  • Zhaohui Zhang,
  • Xiangdong Xing

摘要

Blast furnace smelting of limonitic laterite nickel ore produces a CaO–SiO2–MgO–Al2O3–Cr2O3 slag, whose high Cr2O3 content can considerably affect the associated metallurgical properties. In this study, the effects of Cr2O3 content on slag viscosity and structure were investigated. In addition, molecular dynamics (MD) simulations were conducted to elucidate atomic-scale structural evolution. As the Cr2O3 content was increased from 1 to 8 wt pct, the viscosity rose from 0.25 to 0.38 Pa·s. Structural characterisation showed that the content of low-polymerisation units (Q0 and Q1) decreased, whereas that of highly polymerised units increased. Furthermore, the fraction of bridging oxygen (BO) increased, whereas those of non-bridging oxygen and free oxygen decreased. The coordination of Al shifted from AlO5 and AlO6 units to tetrahedral AlO4 units. Further, MD simulations revealed that as the Cr2O3 content was increased from 1 to 8 wt pct, the fractions of BO and tricluster oxygen increased from 47.85 and 3.11 pct to 51.51 and 3.72 pct, respectively, and the structural complexity index increased from 1.03 to 1.23. MD simulations also indicated the formation of a small number of [CrO4] tetrahedra. Overall, Cr3+ mainly functioned as a network former by strengthening linkages between [SiO4] and [AlO4] tetrahedra and partially occupying tetrahedral sites, leading to progressive network polymerisation and, consequently, higher slag viscosity.