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本文广泛地探讨了利用理想化学理论对强溶剂化的二元合金系进行活度,超额自由能,混合自由能等热力学数据预测的可能性.对15种不同体系进行了计算和预测,它们是:(1)生成单个化合物的二元合金系;(2)生成两个化合物的二元合金系;(3)生成三个化合物的二元合金系;(4)生成四个化合物的二元合金系.本文为从相图获取较多的热力学数据提供了一个有效的方法.当选取合适的模型参数时,计算结果与实验数据吻合很好.
In this paper, the possibility of predicting thermodynamic data such as activity, excess free energy, mixed free energy and other thermodynamic data of strongly solvated binary alloy system by using ideal chemistry theory is discussed extensively. Fifteen different systems are calculated and predicted, which are : (1) a binary alloy system that produces a single compound; (2) a binary alloy system that produces two compounds; (3) a binary alloy system that produces three compounds; (4) a binary alloy that produces four compounds This paper provides an effective method to get more thermodynamic data from the phase diagram.When choosing the appropriate model parameters, the calculated results are in good agreement with the experimental data.