The modified quasichemical model I - Binary solutions

被引:625
作者
Pelton, AD [1 ]
Degterov, SA [1 ]
Eriksson, G [1 ]
Robelin, C [1 ]
Dessureault, Y [1 ]
机构
[1] Ecole Polytech, Ctr Rech Calcul Thermochim, Montreal, PQ H3C 3A7, Canada
来源
METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE | 2000年 / 31卷 / 04期
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1007/s11663-000-0103-2
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Further improvements to the modified quasichemical model in the pair approximation for short-range ordering in liquid and solid solutions are presented. The energy of pair formation is expanded in terms of the pair fractions rather than the component fractions, and coordination numbers are permitted to vary with composition. A formalism is introduced whereby the quasichemical equations are shown to be equivalent to the equations of an associate model if the pairs are formally treated as fractional associates. The model is applied to the liquid phase in a new optimization of the KCl-MgCl(2) system.
引用
收藏
页码:651 / 659
页数:9
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