Understanding the carbendazim adsorption from water using biochar derived from apple pomace and industrial wastewater sludge: experimental and DFT approaches

Biochars derived from apple pomace (AP-BC) and industrial wastewater sludge (IS-BC) were used to investigate adsorption performance and mechanism for removing carbendazim from water and compare its performance with commercial biochar (commercial BC). The results showed that the adsorption capacity of AP-BC and IS-BC were 76 mg g⁻¹ and 82 mg g⁻¹ respectively that was comparable with the commercial BC (80 mg g⁻¹). The adsorption kinetics and isotherms were best described by the Pseudo-second-order and Langmuir models. Thermodynamic analysis suggested that higher temperatures can enhance the mobility of molecules, increased mobility facilitates more frequent and stronger interactions between the adsorbate molecules and the surface of the adsorbent material, leading to greater adsorption capacity. Density functional theory (DFT) calculations confirmed carbendazim’s weak electrophilic nature, supporting the primary physisorption mechanism. Even after five cycles of recycling, both biochars maintained a consistent carbendazim removal efficiency of around 82%, highlighting their high reusability. In this study, the examination of waste-derived biochar’s economic feasibility revealed that using biochars derived from waste biomass for large-scale wastewater treatment applications is an economically viable choice.