分子相互作用体积模型的基本特征和应用  

Basic Features and Applications of the Molecular Interaction Volume Model

作　　者：陶东平[1] 

机构地区：[1]昆明理工大学材料与冶金工程学院,云南昆明650093

出　　处：《昆明理工大学学报（理工版）》2004年第4期15-22,共8页Journal of Kunming University of Science and Technology(Natural Science Edition)

基　　金：国家自然科学基金;上海宝钢集团资助(项目编号 :5 0 2 74 0 39)

摘　　要：概述了溶液热力学模型 ,初步论证了分子相互作用体积模型的某些基本特征和应用 .结果表明 :该模型在某些特殊条件下 ,可分别还原为溶液热力学的Flory -Huggins方程、Wilson方程和NRTL方程 ,并且能够满足Gibbs -Duhem方程 ,能够描述部分互溶体系的热力学性质 .它是两参数模型 ,即只需相关二元系的无限稀活度系数γ∞i 和γ∞j 的实验数据 ,便可确定二元参数Bji和Bij,就能预测多元合金体系的热力学性质 。Based on the outline of the model development course of solution thermodynamics, some basic features and applications of the molecular interaction volume model have been preliminarily demonstrated. The results show that this model may be respectively reduced to the Flory-Huggins equation, the Wilson equation and NRTL equation in solution thermodynamics under some special conditions, and it can be verified by the Gibbs-Duhem equation, and expresses the thermodynamic properties of partially miscible systems. It is a two-parameter model, namely, it can predict the thermodynamic properties in a multicomponent alloy system including the dilute solutions and solid solutions using only the experimentl data of infinite dilute activity coefficients of its sub-binaries, γ ∞ i and γ ∞ j from which the binary parameters, B ji and B ij , can be calculated.

关 键 词：热力学 分子相互作用体积模型 溶液热力学模型 

分 类 号：TF02[冶金工程—冶金物理化学]