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新一代的溶液几何模型及其今后的展望

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.

关键词: 热力学 , solution model , phase diagram , multicomponent system

A SIMPLIFIED SUBREGULAR SOLUTION MODEL DESCRIBING THE ACTIVITES OF MgCl 2 IN BOTH KCl MgCl 2 LiCl AND CaCl 2 MgCl 2 NaCl MOLTEN SALT SYSTEMS

Q.R.Zhang , Y.G.Li and Z.Fang Department of Chemistry , Central South University of Technology , Changsha 410083 , China

金属学报(英文版)

A simplified subregular solution model was developed for describing the activities of MgCl 2 in both KCl MgCl 2 LiCl and CaCl 2 MgCl 2 NaCl systems on the assumption that the electrolytes in the solution are treated as independent particles in stead of their ion forms and the interchange energy between the KCl LiCl (or CaCl 2 NaCl) pair is ignored as compared to those of the KCl MgCl 2(or CaCl 2 MgCl 2) and MgCl 2 LiCl (or MgCl 2 NaCl) pairs. The calculating results on the model agree with the observed very well.

关键词: activity , null , null , null , null

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新一代的溶液几何模型及其今后的展望

A SIMPLIFIED SUBREGULAR SOLUTION MODEL DESCRIBING THE ACTIVITES OF MgCl 2 IN BOTH KCl MgCl 2 LiCl AND CaCl 2 MgCl 2 NaCl MOLTEN SALT SYSTEMS

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