TY - JOUR
T1 - Kinetic parameters underlying hematite-assisted decomposition of tribromophenol
AU - Ali, Labeeb
AU - Kuttiyathil, Mohamed Shafi
AU - Al-Harahsheh, Mohammad
AU - Altarawneh, Mohammednoor
N1 - Funding Information:
This study has been supported by the 2019 Abu Dhabi Award for Research Excellence (AARE) – (by ASPIRE, part of the Advanced Technology Research Council (ATRC, Abu Dhabi, United Arab Emirates), grant number: 21N225-AARE2019 – ADEK -103). DFT calculations were carried out at the HCP cluster of the United Arab Emirates University (UAEU).
Funding Information:
This study has been supported by the 2019 Abu Dhabi Award for Research Excellence (AARE) – (by ASPIRE, part of the Advanced Technology Research Council (ATRC, Abu Dhabi, United Arab Emirates), grant number: 21N225-AARE2019 – ADEK -103). DFT calculations were carried out at the HCP cluster of the United Arab Emirates University (UAEU).
Publisher Copyright:
© 2023 The Authors
PY - 2023/3
Y1 - 2023/3
N2 - Interaction of brominated flame retardants (BFRs) and transition metal oxides is a widely utilized approach in thermal recycling of bromine-contaminated plastics. An optimum design of the operation requires the development of accurate thermo-kinetic parameters that dictate the co-degradation of both entities. To attain this obviative, thermal degradation behavior pertinent to co-pyrolysis and co-combustion of hematite (Fe2O3): tribromophenol (TBP) mixtures was explored in a thermogravimetric analyzer (TGA) at various heating rates. Thermo-kinetic parameters for mixtures were acquired based on TGA runs while employing three major model-free or isoconversional methods (KAS, Starink, and FWO) and model-fitting methods (Coats-Redfern). Obtained profiles infer that the addition of hematite systematically reduces the governing activation energy (Ea) in both thermochemical processes in reference to neat TBP. The hematite-assisted debromination of TBP under oxidative conditions entails lower activation energy when compared with degradation under pyrolytic conditions. Molecular modeling mapped out initial mechanisms that operate in the interaction with a prime focus on reactions that lead to ring opening of the aromatic rings. Overall, the results obtained from the thermal chemical conversions find direct application in reactor modeling and heat transfer design in domains related to the recycling of electronic and electrical waste (e-wastes).
AB - Interaction of brominated flame retardants (BFRs) and transition metal oxides is a widely utilized approach in thermal recycling of bromine-contaminated plastics. An optimum design of the operation requires the development of accurate thermo-kinetic parameters that dictate the co-degradation of both entities. To attain this obviative, thermal degradation behavior pertinent to co-pyrolysis and co-combustion of hematite (Fe2O3): tribromophenol (TBP) mixtures was explored in a thermogravimetric analyzer (TGA) at various heating rates. Thermo-kinetic parameters for mixtures were acquired based on TGA runs while employing three major model-free or isoconversional methods (KAS, Starink, and FWO) and model-fitting methods (Coats-Redfern). Obtained profiles infer that the addition of hematite systematically reduces the governing activation energy (Ea) in both thermochemical processes in reference to neat TBP. The hematite-assisted debromination of TBP under oxidative conditions entails lower activation energy when compared with degradation under pyrolytic conditions. Molecular modeling mapped out initial mechanisms that operate in the interaction with a prime focus on reactions that lead to ring opening of the aromatic rings. Overall, the results obtained from the thermal chemical conversions find direct application in reactor modeling and heat transfer design in domains related to the recycling of electronic and electrical waste (e-wastes).
KW - BFR
KW - Kinetic parameters
KW - Non-isothermal
KW - Reaction mechanism
KW - Thermal degradation
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U2 - 10.1016/j.arabjc.2023.104540
DO - 10.1016/j.arabjc.2023.104540
M3 - Article
AN - SCOPUS:85147090509
SN - 1878-5352
VL - 16
JO - Arabian Journal of Chemistry
JF - Arabian Journal of Chemistry
IS - 3
M1 - 104540
ER -