Low temperature oxidation of biphenyl in an alumina reactor: Possible initiation by O<sub>2</sub> (<sup>1</sup>∆)

Title: Low temperature oxidation of biphenyl in an alumina reactor: Possible initiation by O₂ (¹∆)
Creator: Summoogum, S.; Dlugogorski, B. Z.; Kennedy, E. M.; Mackie, J. C.
Relation: 11th Australian Combustion Symposium, 2011. Proceedings of the 11th Australian Combustion Symposium 2011 (Shoal Bay, N.S.W. 29 November - 1 December, 2011) p. 183-186
Relation: http://sites.mecheng.adelaide.edu.au/combinst/index.php
Publisher: The Combustion Institute: Australian and New Zealand Section
Resource Type: conference paper
Date: 2011
Description: Oxidation of biphenyl (as a prototype model compound for polychlorinated biphenyls) in an alumina reactor at 490°C yields the initial products dibenzofuran and benzaldehyde which have been confirmed in GC/MS studies. It is postulated that 0₂ (¹∆) whose formation is catalysed by the reactor surfaces, initiates the reaction at this low temperature. Quantum chemical computations of the reaction potential energy surfaces suggest low energy pathways to the observed initial products.
Subject: PCBs; PCDD/Fs; reaction potential energy surfaces; quantum chemistry
Identifier: http://hdl.handle.net/1959.13/1035969
Identifier: uon:13193
Identifier: ISSN:1839-8170
Language: eng
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Low temperature oxidation of biphenyl in an alumina reactor: Possible initiation by O2 (1∆)