Density Functional Theory Calculations Decipher Complex Reaction Pathways of 6:2 Fluorotelomer Sulfonate to Perfluoroalkyl Carboxylates Initiated by Hydroxyl Radical.

Zhang, Yanyan; Liu, Jinxia; Ghoshal, Subhasis; Moores, Audrey

Zhang, Yanyan; Liu, Jinxia; Ghoshal, Subhasis; Moores, Audrey.

Afiliação

Zhang Y; Department of Civil Engineering, McGill University, Montreal, Quebec H3A 0C3, Canada.
Liu J; Key Laboratory of Coastal Environment and Resources of Zhejiang Province, School of Engineering, Westlake University, Hangzhou 310024, Zhejiang Province, China.
Ghoshal S; Department of Civil Engineering, McGill University, Montreal, Quebec H3A 0C3, Canada.
Moores A; Department of Civil Engineering, McGill University, Montreal, Quebec H3A 0C3, Canada.

Environ Sci Technol ; 55(24): 16655-16664, 2021 12 21.

Article em En | MEDLINE | ID: mdl-34882405

Assuntos

Fluorocarbonos; Radical Hidroxila; Alcanossulfonatos; Teoria da Densidade Funcional

Palavras-chave

DFT; PFAS; hydroxyl radical; reaction pathway; transformation

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Radical Hidroxila / Fluorocarbonos Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo

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XML

PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Radical Hidroxila / Fluorocarbonos Idioma: En Ano de publicação: 2021 Tipo de documento: Article