Theoretical study on pyrolysis mechanism of decabromodiphenyl ether (BDE-209) using DFT method

Y Wang, J Huang, H Wang, L Lan, X Mu, W Xu, S Lv… - Chemosphere, 2023 - Elsevier
Abstract Decabromodiphenyl ether (BDE-209), as a brominated flame retardant (BFR), is
widely applied to various consumer products due to its superior performance and affordable …

A mechanistic and kinetic investigation on the oxidative thermal decomposition of decabromodiphenyl ether

Y Wang, J Huang, S Li, W Xu, H Wang, W Xu… - Environmental Pollution, 2023 - Elsevier
The thermal processes of materials containing decabromodiphenyl ether (BDE-209)
normally result in the exposure of BDE-209 to high-temperature environments, generating a …

Mechanistic and kinetic insights into the thermal degradation of decabromodiphenyl ethane

Y Long, J Huang, W Xu, Y Zhu, J Ou, H Wang… - Environmental …, 2024 - Elsevier
Decabromodiphenyl ethane (DBDPE), as one of the important new brominated flame
retardants, is widely utilized in a variety of plastic products. However, the pyrolysis …

Investigation on formation mechanisms of PBDD/Fs from 2, 6-dibromophenol pyrolysis using density functional theory (DFT) method

J Huang, L Lan, Y Wang, S Li, W Xu, L Jin, W Xu… - Journal of the Energy …, 2023 - Elsevier
Polybrominated dibenzo-p-dioxins and dibenzofurans (PBDD/Fs) are the potential persistent
organic pollutants in the environment. A comprehensive understanding of the formation and …

DFT studies on pyrolysis mechanisms of tetrabromobisphenol A (TBBPA)

J Huang, X Mu, X Luo, H Meng, H Wang, L Jin… - … Science and Pollution …, 2021 - Springer
Tetrabromobisphenol A (TBBPA) is the most widely used brominated flame retardant. In
order to better understand the decomposition process of TBBPA and clarify the evolution …

Investigation on the formation mechanism of main products from TBBPA pyrolysis using DFT method

X Mu, Y Wang, J Huang, L Lan, H Wang, W Xu, X Li - Chemosphere, 2023 - Elsevier
The formation mechanisms of the main pyrolysis products of tetrabromobisphenol A
(TBBPA) such as hydrogen bromide (HBr), bisphenol A compounds, and phenolic …

Free radical formation via BDE-209 thermolysis in the precalciner of a cement kiln: Simulation and DFT study

J Yang, BT Zhang, L Tian, Q Die, F Wang, H Fu… - Science of The Total …, 2023 - Elsevier
To deeply understand the formation mechanism of polybrominated dibenzo-p-dioxins/furans
(PBDD/Fs) in the thermal disposal process of polybrominated diphenyl ether (PBDE) …

Oxidative degradation of decabromodiphenyl ether (BDE 209) by potassium permanganate: reaction pathways, kinetics, and mechanisms assisted by density …

J Shi, R Qu, M Feng, X Wang, L Wang… - Environmental …, 2015 - ACS Publications
This study found that decabromodiphenyl ether (BDE 209) could be oxidized effectively by
potassium permanganate (KMnO4) in sulfuric acid medium. A total of 15 intermediate …

Unintentional formation of mixed chloro-bromo diphenyl ethers (PBCDEs), dibenzo-p-dioxins and dibenzofurans (PBCDD/Fs) from pyrolysis of polybrominated …

J Liang, R Wang, H Liu, D Xie, X Tao, J Zhou, H Yin… - Chemosphere, 2022 - Elsevier
This study presents the comprehensive investigation for formation pathways of chloro-bromo-
mixed products from the pyrolysis of polybrominated diphenyl ethers (PBDEs). In the study, a …

Hydrogen-donor-controlled polybrominated dibenzofuran (PBDF) formation from polybrominated diphenyl ether (PBDE) photolysis in solutions: competition …

X Du, H Li, J Liang, R Wang, K Huang… - Environmental …, 2023 - ACS Publications
Polybrominated dibenzofurans (PBDFs) are characteristic dioxin-like products of
polybrominated diphenyl ether (PBDE) photolysis. In this study, competition mechanisms of …