Simultaneous adsorption of Cd(II) and degradation of OTC by activated biochar with ferrate: Efficiency and mechanism

Biochar-supported zero-valent iron nanocomposites have received much attention due to their application potential in environmental pollution remediation. However, in many occasions, zero-valent iron loading improves the electron transfer efficiency and catalytic oxidation capacity of biochar while blocking the original pore structure of biochar, limiting its application potential. In this study, a zero-valent iron composites with large SSA (865.86 m2/g) was prepared in one step using pre-pyrolysis of biochar powder and K2FeO4 grinding for co-pyrolysis. The processes of ZVI generation and SSA expansion during the pyrolysis were investigated. The factors affecting the removal process of Cd and OTC in water by the composites were investigated. The mechanisms of Cd fixation and OTC degradation by the composites were explored by experiments, characterization, and DFT calculations. The OTC degradation pathway was proposed by theoretical predication and LC-MS spectrometry. The results indicate that ion exchange, complexation with oxygen-containing functional groups, electrostatic attraction, and interaction with π-electrons are the main mechanisms of Cd immobilization. The degradation pathways of OTC mainly include dehydroxylation, deamination and dealkylation. [Display omitted] •Preparation of novel nano ZVI/biocarbon composites.•Rich pore structure and activation mechanism of ZVI as the only Fe-phase component.•Synergistic effect of biomass carbon substrate and ZVI improves the electron transfer efficiency of the composite.•Molecular front-line orbital theory and Fukui function calculations to infer OTC degradation pathways.