Studying the adsorption mechanisms of nanoplastics on covalent organic frameworks via molecular dynamics simulations
Shengcong Shang, Youxing Liu, Minghui Liu, Yichao Bai, Xinyu Wang, Bin Wu, Jianyi Chen, Jichen Dong, Yunqi Liu
Topics & Concepts
Adsorptionvan der Waals forceMolecular dynamicsPolymerChemistryPolyethyleneCovalent bondElectrostatic interactionElectrostaticsChemical engineeringPolyethylene terephthalateChemical physicsNanotechnologyPolymer chemistryMoleculeComputational chemistryPhysical chemistryMaterials scienceOrganic chemistryComposite materialEngineeringCovalent Organic Framework ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsAdvanced Photocatalysis Techniques