(几种热力学模型应用于二元合金中.docVIP

几种热力学模型应用于二元合金中 各组元活度计算的研究 许 帅1,2,3 宋冰宜1,2,3 蒋文龙1,2,3* 杨 斌1,2,3 650093；2.复杂有色金属资源清洁利用国家重点实验室 昆明 650093；3.云南省有色金属真空冶金重点实验室 昆明 650093) Investigation of thermodynamic models applying in calculating the activities of each component in binary alloys Xu Shuai1,2,3, Song Binyi1,2,3, Jiang Wenlong1,2,3*, Yang Bin1,2,3 (1. National Engineering Laboratory for Vacuum Metallurgy, Kunming 650093, China; 2. State Key Laboratory of Complex Non-ferrous Metal Resources Clear Utilization, Kunming 650093, China; 3. Key Laboratory of Vacuum Metallurgy for Nonferrous Metal of Yunnan Province, Kunming 650093, China) Abstract Nowadays, the thermodynamic models which applied on calculating the activities of large numbers of binary alloys were used widely. In this paper, using the regular solution model, Miedema model, MIVM, NRTL equation and Wilson equation as the research model, by counting the parameters which were needed for each model, we can know, NRTL equation and the regular solution model required the least parameters, Miedema model and MIVM required most parameters, between them was Wilson equation. By calculating the activities of Bi-Pb, Bi-Sn, Cd-Pb and Pb-Sn system in the whole composition and the average deviation (S) respectively, we can know, the best prediction effect was NRTL equation and the worst prediction effect was Miedema model, the prediction effects of other models was between NRTL equation and Miedema model. Keywords Binary alloy, thermodynamic models, activity, average deviation 摘要 目前，大量二元系的活度计算模型得以广泛应用。本文以正规溶液模型，Miedema模型，MIVM，NRTL方程和Wilson方程作为研究模型，各个模型所需参数进行统计，结果表明：NRTL方程和正规溶液模型所需参数最少，Miedema模型和MIVM所需参数较多，Wilson方程所需参数介于之间。计算Bi-Pb、Bi-Sn、Cd-Pb和Pb-Sn四个二元体系在全成分下的活度及相应活度的平均偏差S，得出：预测效果最好的是NRTL方程Miedema模型的预测效果较差，其他模型的预测效果介于NRTL方程和Miedema模型之间。 关键词 中图分类号：TF131, TF818 文献标识码：A 文章编号： 溶液的热力学参数是许多领域如冶金、化工、制药和铸造等进行新工艺开发、过程优化及理论研究使用的基础数据。无论冶金制备还是新材料的研发，溶液热力学性质的研究都是必不可少的。由于高温实验的复杂性以及精度的局限性，得到的热力学数据存在偏差在很多情况下实验测量困难，因此对冶金过程所有重要体系进行实验热力学研究是十分困难的[]。由于实际溶液