Adsorption of sulfonamides on biochars derived from waste residues and its mechanism

Abstract

Waste residues have been prepared as biochar (BC) adsorbents to remove sulfonamides (SAs) at low cost, but the mechanisms of the differences in the SA adsorption performance of different BCs are not clear. Thus, the adsorption characteristics of two SAs (sulfadiazine and sulfathiazole) on three BCs derived from waste residues (sewage sludge (SB), pig manure (PB), and rice straw (RB)) were investigated. The results showed that the adsorption mechanism was chemisorption and RB was the preferred BC under the different tested conditions (pH, Ca²⁺, and humic acid), followed by PB and SB. To interpret the phenomena, FTIR, XRD, and XPS analyses were performed and results indicated that SB had the lowest C content, and there was a very significant difference in the concentrations of the two O functional groups (C˭O and C‒O) for PB and RB (P < 0.01). Density functional theory calculations revealed that the mechanisms of SA adsorption onto BCs were mainly through π-π electron donor acceptor interactions and H bonds. There was no significant difference in the π interactions between the SAs-BC containing C‒O (BC(OH)) and the SAs-BC containing C˭O (BC(C˭O)), whereas the H bond strength of SAs-BC(OH) was much stronger than that of SAs-BC(C˭O).

Keywords: Adsorption; Adsorption mechanism; Biochar; Density functional theory; Sulfonamides.