Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from <i>Ab Initio</i> Molecular Dynamics Simulations.

Biswas, Sohag; Wong, Bryan M

Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations.

Biswas, Sohag; Wong, Bryan M.

Afiliación

Biswas S; Materials Science & Engineering Program, Department of Chemistry, and Department of Physics & Astronomy, University of CaliforniaâRiverside, Riverside, California 92521, United States.
Wong BM; Materials Science & Engineering Program, Department of Chemistry, and Department of Physics & Astronomy, University of CaliforniaâRiverside, Riverside, California 92521, United States.

Environ Sci Technol ; 57(16): 6695-6702, 2023 04 25.

Article en En | MEDLINE | ID: mdl-37018510

Asunto(s)

Fluorocarburos; Simulación de Dinámica Molecular; Humanos; Óxido de Aluminio; Caprilatos/química

Palabras clave

PFAS; ab initio molecular dynamics; defluorination; density functional theory; thermal degradation

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Fluorocarburos Límite: Humans Idioma: En Revista: Environ Sci Technol Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos

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