(1. 昆明理工大學(xué) 真空冶金國家工程實驗室，昆明 650093；
2. 昆明理工大學(xué) 云南省有色金屬真空冶金重點實驗室，昆明 650093；
3. 昆明理工大學(xué) 云南省復(fù)雜有色金屬資源清潔利用國家重點實驗室(培育基地)，)
摘 要: 基于分子相互作用體積模型(MIVM)，使用牛頓迭代方法結(jié)合無限稀活度系數(shù)實驗數(shù)據(jù)γ∞計算對勢能相互作用參數(shù)Bij和Bji；然后使用參數(shù)Bij和Bji計算Pb-Sb、Pb-Ag及Sb-Cu二元合金體系的活度α和活度系數(shù)γ，并與實驗值進行比較分析；最后計算Pb-Sb、Pb-Ag及Sb-Cu二元合金體系的氣液相平衡組成。氣液相平衡組成計算結(jié)果表明：活度計算值和實驗值吻合較好； Pb-Ag和Sb-Cu體系中的組元均能通過真空蒸餾實現(xiàn)良好分離，而Pb-Sb體系中的組元不能通過一次真空蒸餾實現(xiàn)完全分離。分子相互作用體積模型用于預(yù)測二元合金體系的活度及真空蒸餾分離效果具有很高的可靠性，為真空蒸餾分離二元合金提供良好的理論依據(jù)。
關(guān)鍵字: 分子相互作用體積模型；活度；真空蒸餾；分離
（1. National Engineering Laboratory for Vacuum Metallurgy,
Kunming University of Science and Technology, Kunming 650093, China;
2. Key Laboratory for Nonferrous Vacuum Metallurgy of Yunnan Pr）
Abstract:Based on the molecular interaction volume model (MIVM), the pair-potential energy interaction parameters Bij and Bji were calculated by using the Newton–Raphson methodology with the aid of experimental data of infinite dilution activity coefficient γ∞. Then, the activities and activity coefficients of the components of Pb-Sb, Pb-Ag and Sb-Cu alloys can be obtained from Bij and Bji, a comparison between the calculated and experimentally determined values of activities was also executed. Finally, the vapor-liquid phase equilibrium compositions of components of Pb-Sb, Pb-Ag and Sb-Cu alloys were calculated. The results show that the agreement between the calculated and experimentally determined values of activities is excellent. The vapor-liquid phase equilibrium composition indicates that the components of Pb-Ag and Sb-Cu alloys can be separated from each other thoroughly by vacuum distillation, the components of Pb-Sb alloy cannot be separated by vacuum distillation one time. The above analysis results indicate that the validity and reliability of the MIVM in the activities calculation of the components of these alloys and the prediction of the separating effect in vacuum distillation are good. This research provides a good theoretical principle for the separation of binary alloys by vacuum distillation.
Key words: molecular interaction volume model (MIVM); activity; vacuum distillation; separation
