A ReaxFF-based molecular dynamics study of the destruction of PFAS due to ultrasound
Bruno Bezerra de Souza, Shaini Aluthgun Hewage, Jitendra A. Kewalramani, Adri C. Van Duin, Jay N. Meegoda
Topics & Concepts
Molecular dynamicsImplosionReaxFFEnvironmental chemistryChemistryMineralization (soil science)Environmental scienceNanoparticleChemical engineeringChemical physicsBiochemical engineeringNanotechnologyMaterials scienceComputational chemistryOrganic chemistryPhysicsEngineeringInteratomic potentialQuantum mechanicsPlasmaNitrogenPer- and polyfluoroalkyl substances researchAtmospheric Ozone and ClimateAtmospheric chemistry and aerosols