This paper presents the measurement of the Ab initio molecular dynamics of a Zn-Al-Fe alloy system. The structural and electronic properties of the Zn-Al-Fe alloy at different temperatures are simulated, and the partial density of states, radial distribution function, coordination number, mean square displacement, and diffusion coefficient are obtained. It provides a theoretical analysis of the vacuum separation of Zn-Al-Fe alloys. The simulation results show that when the temperature was 1073 K, the disorder degree of the system was the largest, the diffusion coefficient was 1.29(10 −8 m 2 s −1), and the coordination number was 9.48. It means that the Zn-Al-Fe alloy can be separated into its constituent metals easily by vacuum distillation, and that the optimum temperature to achieve this is 1073 K.
Recently, the ultra-high temperature electrochemistry (UTE, about > 1000 °C) has emerged, which represents an exploration to extend the temperature limit of human technology in electrochemical engineering. UTE has farreaching impact on revolutionary low-carbon metal extraction and the in situ production of oxygen for deep-space exploration. It is hence of urgency to systematically summarize the development of UTE. In this Review, the basic concepts of UTE and the physicochemical properties of molten oxides are analyzed. The principles in the design of inert anodes for the oxygen evolution reaction in molten oxides are discussed, which forms a solid basis for the in situ production of oxygen from simulated lunar regolith by UTE. Furthermore, liquid metal cathodes for revolutionary titanium extraction and ironmaking/steelmaking are highlighted. With emphasis on the key challenges and perspectives, the Review can provide valuable inspiration for the rapid advancement of UTE.
In this work, vacuum distillation experiments of Zn-Al-Fe alloy were performed. A method for predicting the in nite dilute activities in the Zn-Fe system was examined. The activities of components of the Zn-Al-Fe system were calculated based on the Wilson equation. Vacuum distillation of Zn-Al-Fe alloy was discussed based on the experimental investigations of the distillation temperature, the holding time and the thickness of the raw materials mixture by response surface methodology. The results showed that there were remarkable in uences of the distillation temperature, holding time and little in uence of the thickness of the raw materials mixture on vacuum distillation. The zinc in Zn-Al-Fe alloy were effectively recovered at 800 C-850 C for 60 min-75 min. This work aims to investigate the vacuum distillation of Zn-Al-Fe alloy to optimize the process for high zinc recovery. After vacuum distillation, the direct yield and volatilization rate for zinc were 99.8% and 99.79% when the distillation temperature was 800 C, and the soaking time was 75 min. The calculations and experimental results demonstrated that this method can guide the vacuum distillation of Zn-Al-Fe alloy based on the Wilson equation.
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