Surface chemistry of degraded polyethylene terephthalate (PET): Insights from reactive molecular dynamics study
Tomasz Pańczyk, Krzysztof Nieszporek, Paweł Wolski
Topics & Concepts
ReaxFFPolyethylene terephthalateRadicalMolecular dynamicsMoleculeChemistryModulusBenzenePolymerChemical structureChemical engineeringMaterials scienceComposite materialPolymer chemistryComputational chemistryOrganic chemistryEngineeringInteratomic potentialMicroplastics and Plastic PollutionPolymer crystallization and propertiesbiodegradable polymer synthesis and properties