Quantum chemical study of the mechanisms, kinetics, and ecotoxicity assessment of OH radical-initiated reactions of 2,2′,4,4′,5,5′ -hexabrominated diphenyl ether (BDE-153) in atmosphere and wastewater

[Display omitted] •The mechanisms of BDE-153 initiated by OH radical were theoretically studied.•OH addition intermediates of BDE-153 are more favorable.•The total rate constants were calculated in gas phase and aqueous phase.•Most of the transformation products are still toxic to aquatic organisms....

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Veröffentlicht in:	Chemical engineering journal (Lausanne, Switzerland : 1996) Switzerland : 1996), 2021-10, Vol.422, p.129916, Article 129916
Hauptverfasser:	Yao, Junfang, Tang, Yizhen, Zhang, Yunju, Ruan, Min, Chen, Fang, Wu, Wenzhong, Sun, Jingyu
Format:	Artikel
Sprache:	eng
Schlagworte:	BDE-153 Ecotoxicity assessment Engineering Engineering, Chemical Engineering, Environmental Kinetics Lifetime Mechanism Science & Technology Technology
Online-Zugang:	Volltext
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