合金溶液中溶质间活度相互作用系数预测模型

A Predicted Model for Activity Interaction Coefficient Between Solutes in Alloy Solutions

利用基于组分间性质差建立的统一外推模型(UEM),结合Miedema模型、Tanaka过剩熵关系式,给出了计算任意基体中溶质间活度相互作用系数的模型。该模型不仅在数学上可以覆盖由传统外推模型耦合Miedema模型导出的活度相互作用系数模型,还可以利用组分间的性质差大小定性解释由传统外推模型给出的活度相互作用系数模型的预测特点及其适用体系,且与实验结果吻合良好。

Activity interaction coefficients for solutes in alloy melts can be predicted by combining Miedema model with extrapolation models.However,the treatment of the binary interaction terms in traditional extrapolation models lacks a clear physical mechanism,which reduces the prediction reliability of models based on traditional extrapolation.The unified extrapolation model(UEM)can mathematically cover all traditional extrapolation models by introducing the contribution coefficient determined by property difference between two elements.In this study,a new model for activity interaction coefficients was built by using UEM to couple with the Miedema model and Tanaka excess entropy relation.The new model can explain the prediction characteristics and application scope of models based on traditional extrapolation in terms of the relation between the contribution coefficient and the property difference.The obtained results favorably agree with the experimental results.