Molecular dynamics simulations are used to theoretically calculate the structure and properties of the CaO-SiO₂-Al₂O₃-FeO quaternary slag system with the aim of understanding the influence of the FeO content on the slag structure and properties. The radial distribution function, coordination number, diffusion coefficient, etc. are used to characterize the structural characteristics of the slag. Viscosity is one of the important physical properties in blast furnace ironmaking, having an important influence on the blast furnace oxidation metallurgy process. The results of this study indicate that, as the FeO content is increased, the network structure is destroyed, the diffusion coefficient of each atom increases, and the system viscosity decreases, indicating that the polymerization structure of the CaO-SiO₂-Al₂O₃-FeO slag system tends to be depolymerized. Based on these results, FeO in blast furnace slag has a great influence on the structural characteristics of CaO-SiO₂-Al₂O₃-FeO slag.

使用分子动力学模拟从理论上计算CaO-SiO ₂ -Al ₂ O ₃的结构和性能-FeO季渣系统，旨在了解FeO含量对渣结构和性能的影响。径向分布函数，配位数，扩散系数等用于表征炉渣的结构特征。粘度是高炉炼铁中的重要物理性能之一，对高炉氧化冶金过程具有重要影响。研究结果表明，随着FeO含量的增加，网络结构被破坏，每个原子的扩散系数增加，体系粘度降低，表明CaO-SiO ₂ -Al ₂ O的聚合结构₃-FeO炉渣系统倾向于解聚。基于这些结果，高炉矿渣中的FeO对CaO-SiO ₂ -Al ₂ O ₃ -FeO矿渣的结构特征有很大的影响。