Adsorption mechanism of cefradine on three microplastics: A combined molecular dynamics simulation and density functional theory calculation study
Gaolu Zhao, Wanting Li, C. H. Xu, Qingsong Qin, Wenjie Fan, Xuehua Li, Dan Zhao
Topics & Concepts
Microplasticsvan der Waals forceAdsorptionMolecular dynamicsDensity functional theoryChemistryChemical physicsInteraction energyEnvironmental chemistryComputational chemistryNanotechnologyMaterials sciencePhysical chemistryMoleculeOrganic chemistryMicroplastics and Plastic PollutionPharmaceutical and Antibiotic Environmental ImpactsRecycling and Waste Management Techniques