Atmospheric Autoxidation of Organophosphate Esters.

atmospheric oxidation peroxy radicals (RO2•) quantum chemical calculations secondary organic aerosol (SOA) volatile chemical products (VCPs)

Journal

Environmental science & technology
ISSN: 1520-5851
Titre abrégé: Environ Sci Technol
Pays: United States
ID NLM: 0213155

Informations de publication

Date de publication:
07 06 2022
Historique:
pubmed: 19 11 2021
medline: 9 6 2022
entrez: 18 11 2021
Statut: ppublish

Résumé

Organophosphate esters (OPEs), widely used as flame retardants and plasticizers, have frequently been identified in the atmosphere. However, their atmospheric fate and toxicity associated with atmospheric transformations are unclear. Here, we performed quantum chemical calculations and computational toxicology to investigate the reaction mechanism of peroxy radicals of OPEs (OPEs-RO

Identifiants

pubmed: 34793133
doi: 10.1021/acs.est.1c04817
doi:

Substances chimiques

Esters 0
Flame Retardants 0
Organophosphates 0
Phosphates 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

6944-6955

Auteurs

Zihao Fu (Z)

Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.

Hong-Bin Xie (HB)

Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.

Jonas Elm (J)

Department of Chemistry and iClimate, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark.

Yang Liu (Y)

School of Chemistry and Chemical Engineering, Harbin Institute of Technology, Harbin 150001, China.

Zhiqiang Fu (Z)

Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.

Jingwen Chen (J)

Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.

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Classifications MeSH