论文部分内容阅读
本文简要阐明了相图计算的原理和主要数值计算方法。相图计算的关键之一是确定体系中各相的过剩摩尔自由能,因而侧重评述了预示熔盐溶液相的过剩摩尔自由能的理论模型和几何方法及其进展。指出了计算的意义和局限性,阐明了理论计算相图与实验测定相结合是构筑熔盐相图的最佳方法。
This article briefly illustrates the principles of phase diagram calculation and the main numerical methods. One of the keys to the phase diagram calculation is to determine the excess molar free energy of each phase in the system. Therefore, the theoretical models and geometric methods predicting the excess molar free energy of the molten salt phase are reviewed. The significance and limitation of calculation are pointed out. It is clarified that the combination of theoretical calculation phase diagram and experimental determination is the best method to construct molten salt phase diagram.