Study on azeotropic point of Pb–Sb alloys by ab-initio molecular dynamic simulation and vacuum distillation. (March 2016)

• Record Type: Journal Article
• Authors: Song, Bingyi; Xu, Na; Jiang, Wenlong; Yang, Bin; Chen, Xiumin; Xu, Baoqiang; Kong, Lingxin; Liu, Dachun; Dai, Yongnian
• Is Part Of: Vacuum. Volume 125(2016)
• Page Start: 209
• Page End: 214
• Publication Date: 2016-03
• Subjects: Pb–Sb alloys -- Ab-initio molecular dynamics (AIMD) -- Vacuum distillation -- Azeotropic point -- Interatomic force; Vacuum -- Periodicals; 621.55
• DOI: 10.1016/j.vacuum.2016.01.004
• Languages: English
• ISSNs: 0042-207X

Abstract

Abstract: Ab-initio molecular dynamics simulations are performed to study the structural and electronic properties of liquid Pb–Sb alloys at eight concentrations. This alloy is known as azeotropic compounds within a certain ingredients at different temperature. The separation of Pb–Sb alloys is experimental carried out by vacuum distillation at 1173 K. Our predictions are coincident with the available experimental data. The experiment results indicate that there exists common volatilization for Pb–Sb alloys when Sb content is 15–20 wt.%. In addition, the calculation results show that when the content of Sb is around 15 wt.%, there is an intense interaction between Pb and Sb, which supports the experimental results. And this point (Pb-15 wt.%Sb) is azeotropic point. Highlights: The results of DFT and experiment indicate azeotropy phenomenon in Pb–Sb alloy. The experiment results show that azeotropic composition is 15–20 wt.% Sb. There is an intense interaction between Pb and Sb when Sb content is 15 wt.%.