新一代的溶液几何模型及其今后的展望

NEW GENERATION SOLUTION GEOMETRICAL MODEL AND ITS FURTHER DEVELOPMENT

由二元系估算二元系和多元系的几何模型是当今在热力学和相图计算中用得最为广泛的一种溶液模型.但现有的这类几何模型由于假设了模型的设定与所处理的具体体系无关，结果造成了一些不可克服的固有缺陷.为了解决这个30多年来一直存在的问题,找们摒弃了这一不合理的假设而假定模型的设定应与所处理的体系有关,当我们引进了“相似系数”这一新概念以后，一件新的更合理的模型出现了.我们将这一类模型统称为新一代的几何模型.这可以看作是几何模型发展史上新的一页.文中我们对新一代几何模型的发展方向作了简要的讨论.

Geometrical model is a kind of solution model that has been used extensively in predicting thermodynamic properties and calculating phase diagrams for ternary and multicomponent systems. However, all current geometrical models have their inherent defects since they have improperly assumed that the models are independent of the system treated. In order to overcome these inherent defects that lasted for almost 30 years, a complete new assumption has been given, that is, the selected model should be closely related to the systems considered. After a new conception 'similarity coefficient' has been introduced, a new geometrical model has been established that can overcome all defects appearing in the current models. We call this kind of models as a new generation model. In this paper the problems for this kind of model and the possible development have also been discussed.