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采用熔体热力学模型计算熔体热力学性质是冶金物理化学研究的重要内容。基于Miedema模型和作用浓度模型对硅铁熔体混合焓和活度进行了计算,并与其他模型计算结果及实测数据进行了对比分析。计算结果表明,Miedema模型相对于作用浓度模型的混合焓计算结果与实测值差距较小。采用作用浓度模型计算硅铁活度时,需要依据已有的活度数据拟合得到硅铁金属间化合物的生成吉布斯自由能,且采用活度拟合得到的硅铁金属间化合物生成自由能与试验值差距较大。对已有热力学模型的结果对比分析表明,对熔体微观结构的准确定量描述是建立物理意义清晰且能准确预报熔体性质的热力学计算模型的关键。
Calculating the thermodynamic properties of a melt using a thermodynamic model of the melt is an important part of metallurgical physical and chemical research. Based on the Miedema model and the action concentration model, the enthalpy and activity of ferrosilicon melt were calculated and compared with other models and measured data. The calculated results show that the difference between the enthalpy of mixing and the measured value of Miedema model with respect to the action concentration model is small. When the activity concentration model is used to calculate the ferrosilicon activity, the Gibbs free energy of the ferrosilicon intermetallic compound needs to be fitted according to the existing activity data, and the ferrosilicon ferrous metal compound obtained by the activity fitting is freely generated The gap with the test value. The comparative analysis of the results of the existing thermodynamic models shows that accurate and quantitative description of the melt microstructure is the key to establishing a thermodynamic calculation model with clear physical meaning and accurate prediction of melt properties.