Abstract:Antibiotics, recognized for their toxicity and persistence in aquatic environments, are emerging pollutants, prompting extensive research into removal technologies. The exclusion mechanisms of antibiotics (NOPs) such as norfloxacin (NOR), ofloxacin (OFL), and pefloxacin (PEF) on novel covalent organic frameworks (COFs) and COF composites with carbon nanotubes (CNTs@COFs) were examined through molecular dynamics and metadynamics simulations. Our simulation results indicate that van der Waals (vdW) interactions … Show more
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