文献类型：期刊文献

英文题名：Deep potential molecular dynamic and electrochemical experiments to reveal the structure and behavior of Mn(II) in magnesium electrolysis

作者：Feng, Taixi[1,2]; Liu, Zhaoting[1,2]; Lu, Guimin[1,2]

机构：[1] National Engineering Research Center for Integrated Utilization of Salt Lake, Resource, East China University of Science and Technology, Shanghai, 200237, China; [2] Joint International Laboratory for Potassium and Lithium Strategic Resources, East China University of Science and Technology, Shanghai, 200237, China

年份：2024

外文期刊名：Brazilian Journal of Chemical Engineering

收录：EI(收录号：20242016089831)

语种：英文

外文关键词：Activation energy - Cyclic voltammetry - Electrochemical electrodes - Electrolysis - Magnesium - Magnesium compounds - Molecular dynamics - Potassium compounds - Sodium chloride - Tungsten

摘要：Magnesium (Mg) production via electrolysis can offer an efficient and sustainable alternative to conventional metallothermic processes. However, electrolytic systems contain impurities like manganese (Mn) that significantly influence efficiency and product quality. This study investigates the local structure of Mn2+ and the intricate electrochemical behavior of Mn(II) within MgCl2-NaCl-KCl melts, aiming to explore its impacts on electrode kinetics. Deep Potential Molecular Dynamics (DPMD) method is applied for structure introduction, and a strange chloride layer around Mn2+ is observed. Furthermore, cyclic voltammetry, chronopotentiometry, and other techniques are employed for study using tungsten electrodes with introduced MnCl2. Results reveal the quasi-reversible reduction of Mn(II) on tungsten. The diffusion coefficients (D) of Mn(II) at different temperatures are summarized, and an activation energy of 30.60 kJ?mol-1 for diffusion is found. Mn electrodeposition follows instantaneous nucleation. While limited in scope, these findings provide important insights into Mn(II) interactions that could inform efforts to optimize Mg electrolysis. Further research on Mn(II) effects on melt structure is still needed to understand electrolytic systems comprehensively. This work significantly furthers the fundamental comprehension of Mn(II) electrochemistry within industrial Mg production. ? The Author(s) under exclusive licence to Associa??o Brasileira de Engenharia Química 2024.