Co-pyrolysis of polyethylene with products from thermal decomposition of brominated flame retardants

M. Altarawneh; O.H. Ahmed; M. Al-Harahsheh; Z-T Jiang; N.M. Huang; H.N. Lim; B.Z. Dlugogorski

doi:10.1016/j.chemosphere.2020.126766

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Co-pyrolysis of polyethylene with products from thermal decomposition of brominated flame retardants

Journal article

Peer reviewed

Co-pyrolysis of polyethylene with products from thermal decomposition of brominated flame retardants

M. Altarawneh, O.H. Ahmed, M. Al-Harahsheh, Z-T Jiang, N.M. Huang, H.N. Lim and B.Z. Dlugogorski

Chemosphere, Vol.254, Art. 126766

2020

DOI: https://doi.org/10.1016/j.chemosphere.2020.126766

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Abstract

Co-pyrolysis of brominated flame retardants (BFRs) with polymeric materials prevails in scenarios pertinent to thermal recycling of bromine-laden objects; most notably the non-metallic fraction in e-waste. Hydro-dehalogenation of aromatic compounds in a hydrogen-donating medium constitutes a key step in refining pyrolysis oil of BFRs. Chemical reactions underpinning this process are poorly understood. Herein, we utilize accurate density functional theory (DFT) calculations to report thermo-kinetic parameters for the reaction of solid polyethylene, PE, (as a surrogate model for aliphatic polymers) with prime products sourced from thermal decomposition of BFRs, namely, HBr, bromophenols; benzene, and phenyl radical. Facile abstraction of an ethylenic H by Br atoms is expected to contribute to the formation of abundant HBr concentrations in practical systems. Likewise, a relatively low energy barrier for aromatic Br atom abstraction from a 2-bromophenol molecule by an alkyl radical site, concurs with the reported noticeable hydro-debromination capacity of PE. Pathways entailing a PE-induced bromination of a phenoxy radical should be hindered in view of high energy barrier for a Br transfer into the para position of the phenoxy radical. Adsorption of a phenoxy radical onto a Cu(Br) site substituted at the PE chain affords the commonly discussed PBDD/Fs precursor of a surface-bounded bromophenolate adduct. Such scenario arises due to the heterogeneous integration of metals into the bromine-rich carbon matrix in primitive recycling of e-waste and their open burning.

Details

Title: Co-pyrolysis of polyethylene with products from thermal decomposition of brominated flame retardants
Authors/Creators: M. Altarawneh (Author/Creator) - United Arab Emirates University
O.H. Ahmed (Author/Creator) - Iraqi University
M. Al-Harahsheh (Author/Creator) - Jordan University of Science and Technology
Z-T Jiang (Author/Creator) - Murdoch University
N.M. Huang (Author/Creator) - Xiamen University Malaysia
H.N. Lim (Author/Creator) - Universiti Putra Malaysia
B.Z. Dlugogorski (Author/Creator) - Charles Darwin University
Publication Details: Chemosphere, Vol.254, Art. 126766
Publisher: Elsevier Ltd
Identifiers: 991005543707207891
Copyright: © 2020 Elsevier Ltd.
Murdoch Affiliation: Chemistry and Physics
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 3 Agriculture, Environment & Ecology; 3.60 Herbicides, Pesticides & Ground Poisoning; 3.60.221 Persistent Organic Pollutants
Web Of Science research areas: Environmental Sciences
ESI research areas: Environment/Ecology