Mitigating Environmental Risks: Efficient Removal of Metronidazole from Pharmaceutical Wastewater Using Functionalized Graphene Membrane †

Abstract

Metronidazole, an antibiotic widely used in human and veterinary medicine, poses significant environmental risks when discharged into aquatic environments. This study explores the potential of functionalized graphene membranes for the removal of metronidazole from industrial and pharmaceutical wastewater. Employing molecular simulations and the AM1 semi-empirical-calculation method in solvent (water), we designed and simulated functionalized membranes to enhance metronidazole removal efficiency. Pharmaceutical effluent that contains metronidazole can have detrimental effects on aquatic ecosystems, including toxicity to aquatic organisms and the potential development of antibiotic-resistant bacteria. Our findings show that specific functionalized membranes exhibit selective adsorption for metronidazole, indicating promising results for efficient wastewater treatment. In the study, it was confirmed that a significant drop occurs in the adsorptive property of all functions for metronidazole removal, except for membranes decorated with aldehyde (-CHO) and secondary amine (-CHNH) function. Further analysis of the functionalized graphene membranes confirms one decorated with aldehyde function to have demonstrated superior selective adsorption of metronidazole over water, compared to the other membrane decorated with other functions in the presence of water. The use of functionalized graphene membranes for metronidazole removal shows great potential in mitigating the environmental risks associated with pharmaceutical effluent, which is in line with the study findings and related literature. By improving our understanding of adsorption processes and membrane interactions, we can develop more effective wastewater treatment technologies to safeguard our environment.