Influence of adsorption sites of biochar on its adsorption performance for sulfamethoxazole

In this study, the effects of various types of key adsorption sites on biochar were investigated on its adsorption capacity for sulfamethoxazole (SMX). The biochar obtained by carbonization of corncob at 800 °C (named CC800) was applied to the adsorption of SMX in aqueous environment. The adsorption of SMX by CC800 exhibited a “Three-stage downward adsorption ladder” characteristic in the whole pH range, which was attributed to the different mechanisms corresponding to different adsorption sites of CC800. The organic solvent method and heat treatment method restored the adsorption sites of CC800 after saturated adsorption. And the results revealed that the pore structure and aromatic structure under acidic conditions, and surface functional groups and pore structure under alkaline conditions were confirmed to be key SMX adsorption sites. The adsorption energies of each adsorption mechanism were calculated by density functional theory (DFT), and their order was (−)CAHB (–COO–) > π+−π EDA interaction > (−)CAHB (–O–) > pore filling mechanism > π−π EDA interaction. Based on the above studies, the adsorption performance of biochar to SMX can be improved by targeted modification of its micropore structure, surface functional groups, and aromatic structures.