Leaching law of heavy metals in coal gangue: A combination of experimental optimization and simulation

Coal gangue, a solid waste generated during coal mining and washing processes, has caused significant environmental burdens in China. This study aims to optimize and investigate the leaching mechanisms of heavy metals, such as Pb, Zn, and Cu, in coal gangue. The effectiveness of different eluents in removing heavy metals from coal gangue was evaluated by combining experimental methods with software simulations. The leaching conditions (EDTA-2Na concentration of 5 g/L, pH 3, solid-liquid ratio of 1:10, leaching time of 4 h, 300 r/min) were optimized to achieve efficient and economical removal of heavy metals. Box-Behnken Design was used to show the key factors of eluant concentration and solid-liquid ratio. The leaching amounts of Pb, Zn, and Cu from coal gangue using EDTA-2Na as a leaching agent were 86 mg/kg, 430 mg/kg, and 66 mg/kg, respectively. The release mechanism and kinetic behavior of heavy metals in the leaching process were studied. The study provided information about leaching mechanisms of heavy metals from coal gangue by experiments and simulations of Visual MINTEQ and DFT that EDTA-2Na enhanced the leaching of heavy metals from coal gangue by enhancing ion exchange and complexation.