引用本文: 王举金, 张立峰, 任英. 炼钢过程反应热力学与动力学及其在数值模拟仿真的应用研究进展[J]. 工程科学学报.
WANG Jujin, ZHANG Lifeng, REN Ying. Advances in the thermodynamics and kinetics of the steelmaking process and their application in numerical simulation[J]. Chinese Journal of Engineering.
 Citation: WANG Jujin, ZHANG Lifeng, REN Ying. Advances in the thermodynamics and kinetics of the steelmaking process and their application in numerical simulation[J]. Chinese Journal of Engineering.

## Advances in the thermodynamics and kinetics of the steelmaking process and their application in numerical simulation

• 摘要: 炼钢过程需要完成钢液的脱碳、脱硫、脱磷、脱氧等一系列操作，是一个复杂的多因素控制过程，反应器内温度高且不均匀，多相化学反应同时发生，相际之间质量、动量和热量传输相互耦合，准确预报和控制炼钢过程一直是钢铁冶炼的难点和冶金工作者的研究热点. 本论文总结了近年来炼钢过程反应热力学和动力学以及其在数值模拟仿真方面的研究进展. 在反应热力学方面，钢液活度计算模型主要有Wagner相互作用系数模型、统一相互作用系数模型和缔合物模型，在现阶段，Wagner相互作用系数模型仍是应用最为广泛的钢液活度计算模型，但随着新钢种的开发，这一模型的普适性遇到了挑战，钢液活度的计算亟需开发新模型、补充新数据；熔渣活度计算模型主要有分子理论模型、离子理论模型、正规离子溶液模型、修正的准化学模型和共存理论模型. 通过反应动力学模型，炼钢过程钢液、渣和非金属夹杂物随时间的变化能够被较为准确的预报出来，如多组分耦合反应模型、有效平衡反应区模型和未反应核模型等，但反应动力学模型中的传质系数多是通过经验公式确定，无法准确表征不同反应器内的动力学. 通过将反应动力学与三维数值模拟仿真相耦合，揭示了Kambara reactor铁水预处理脱硫过程和Ruhrstah-Hereaeus精炼钢液脱碳过程反应器内钢液成分的三维分布及其随时间演变，但综合考虑钢、渣、夹杂物、耐火材料、合金等多相多元反应的三维数值模拟仿真尚没有较为成熟的模型，仍需要进一步深入研究.

Abstract: The steelmaking process involves a series of operations, including decarburization, desulfurization, dephosphorization, and deoxygenation. Therefore, this process is controlled by complex multifactors such as high and inhomogeneous reactor temperatures, simultaneous multiphase chemical reactions, and mutual coupling between phases in terms of mass, momentum, and heat transfer. Accurate prediction and control of the steelmaking process has always been a difficult problem in the ironmaking and steelmaking industries and a popular topic in metallurgy. The reaction thermodynamics and kinetics are theoretical bases for controlling the steelmaking process. Recent advances in reaction thermodynamics and kinetics and their application in numerical simulation are summarized in the present study. In terms of reaction thermodynamics, the main models for calculating the activity of liquid steel are the Wagner interaction parameter formalism (WIPF), the unified interaction parameter formalism, and the associate model. At present, the WIPF model is still the most widely used model for calculating liquid-steel activity, but with the development of new steel grades, the universality of the WIPF model has been challenged. An urgent need exists to develop a new model for liquid-steel activity calculations and to supplement it with new data. The main models for calculating slag activity are molecular theory, ionic theory, the regular ionic solution model, the modified quasi-chemical model (MQM), and ion and molecular coexistence theory (IMCT). The MQM and IMCT models are the most widely used for calculating slag activity. Reaction kinetic models such as the multicomponent coupled reaction model, the effective equilibrium reaction zone model, and the unreacted nucleus model can accurately predict changes in the molten steel, slag, and nonmetallic inclusions during the steelmaking process. However, the mass transfer coefficients in these kinetic models are mostly determined using empirical equations, which cannot accurately characterize the kinetics in different reactors. To address this problem, the three-dimensional distribution of the molten steel composition and its time evolution during the iron desulfurization process in Kambara reactor and the steel decarburization process in Ruhrstah-Hereaeus reactor were revealed by coupling the reaction kinetics with three-dimensional numerical simulations. However, no mature three-dimensional numerical simulations are available for multiphase and multidimensional reactions with the integrated consideration of molten steel, slag, inclusions, refractory materials, and alloys, which requires further in-depth study.

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