合金熔体活度数据的模型计算及非对称性组元在计算中的应用

Model Prediction of Activity Coefficients in Metallic Melts Combined with the Application of the Non-Symmetric Component

根据最基本的物性参数及热力学基本关系式建立了计算任意三元合金系活度数据的通用模型 ;通过与实验推荐值进行比较 ,发现其吻合程度良好 ,且预测值随原子序数的增大而有一定的变化规律 ,计算精度随着实验可靠性的提高而提高 ;在三元系Fe i j中按以下顺序优先选取非对称组元 :B ,N ,C→Si,P→i。

The calculating models, whose prediction values were proved to be accordant with the experimental results well, for activity coefficients in ternary metallic melts were established on the basis of the most essential physical parameters and some elementary thermodynamic formulas. Through the comparison between prediction values and the recommended experimental results. It is shown that the prediction values have certain disciplinary diversification with increasing atomic number, and the prediction accuracy increases with the increase in the reliability of experimental results. The order of non symmetric component can be selected according to the prior relation: B,N,C→Si,P→ i,j whose quality is rather different from Fe's in the Fe based melt.