Low-temperature oxidation of monobromobenzene: Bromine transformation and yields of phenolic species.

Chemosphere
Mohammednoor Altarawneh, Bogdan Z Dlugogorski

Abstract

Brominated benzenes and phenols constitute direct precursors in the formation of bromine-bearing pollutants; most notably PBDD/Fs and other dioxin-type compounds. Elucidating accurate mechanisms and constructing robust kinetic models for the oxidative transformation of bromobenzenes and bromophenols into notorious Br-toxicants entail a comprehensive understanding of their initial oxidation steps. However, pertinent mechanistic studies, based on quantum chemical calculations, have only focused on secondary condensation reactions into PBDD/Fs and PBDEs. Literature provide kinetic parameters for these significant reactions, nonetheless, without attempting to compile the acquired Arrhenius coefficients into kinetic models. To fill in this gap, this study sets out to illustrate primary chemical phenomena underpinning the low-temperature combustion of a monobromobenzene molecule (MBZ) based on a detail chemical kinetic model. The main aim is to map out temperature-dependent profiles for major intermediates and products. The constructed kinetic model encompasses several sub-mechanisms (i.e, HBr and benzene oxidation, bromination of phenoxy radicals, and initial reaction of oxygen molecules with MBZ). In light of germane experimental o...Continue Reading

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Sep 19, 2014·The Journal of Physical Chemistry. a·Mohammednoor Altarawneh, Bogdan Z Dlugogorski
Oct 11, 2014·Chemosphere·Mohammednoor Altarawneh, Bogdan Z Dlugogorski
Oct 24, 2014·Environmental Science & Technology·Mohammednoor Altarawneh, Bogdan Z Dlugogorski
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Citations

Aug 20, 2021·Journal of Hazardous Materials·Mohammednoor Altarawneh

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