- Title
- Oxidation of a Model PCB (4-Chlorobiphenyl) in Catalytic and Non-Catalytic Flow Reactors and Formation of PCDF
- Creator
- Altarawneh, M.; Mackie, J. C.; Hou, S.; Kennedy, E. M.; Dlugogorski, B. Z.
- Relation
- Australian Combustion Symposium. Proceedings of the Australian Combustion Symposium (Perth, W.A. 06-08 November, 2013) p. 291-294
- Publisher
- Australia & New Zealand Combustion Institute
- Resource Type
- conference paper
- Date
- 2013
- Description
- Oxidation of a model polychlorinated biphenyl (4-chlorobiphenyl) has been studied in three flow reactors: an alumina reactor (1) exhibiting significant catalytic effects including promotion of O2 (1∆) and chlorination-dechlorination reactions at temperatures as low as 350° C; a high purity quartz reactor (2) which produced significantly lower O2 (1∆) and negligible chlorination-dechlorination and a high purity quartz reactor with surfaces passified by a boron oxide coating (3) in which only normal oxidation was observed at elevated temperatures (>600°C). The low temperature phenomena have been studied by quantum chemical techniques and reaction mechanisms to explain products’ formation (including the MCD 3-chlorodibenzofuran) are given. 3-Chlorodibenzofuran (the simplest PCDF) and benzaldehyde are important low temperature products produced by O2 (1∆) in reactors (1) and (2). Both O2 (1∆) and ground state O2 (3 Σ g) can displace Cl atoms from 4-chlorobiphenyl to produce polychlorobenzenes although only O2 (1Δ) produces significant yields of chlorobenzenes at low temperatures. Styrene and naphthalene also arise from O2 displacement of Cl.
- Subject
- oxidation; PCB; PCDF; quantum chemistry; reaction mechanisms
- Identifier
- http://hdl.handle.net/1959.13/1342249
- Identifier
- uon:28926
- Language
- eng
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