https://ogma.newcastle.edu.au/vital/access/ /manager/Index en-au 5 Formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) from oxidation of 4,4'-dichlorobiphenyl (4,4'-DCB) https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:42740  600°C) lead to selective formation of a small number of lower-chlorinated pollutants, whereas reactive surfaces, as evident from literature, engender catalytic (but non-selective) appearance of a large number of higher-chlorinated and toxic chloroaryl congeners, even at temperature of less than 300°C. Results from the density functional theory (DFT) calculations indicate that, majority of the detected congeners of PCDF arise from the oxidative transformation of the parent 4,4′-DCB; i.e., not from the commonly suggested precursors of chlorinated phenols and benzenes. Our findings have significant importance to understanding the emission of PCB and PCDD/F in combustion processes.]]> Wed 24 May 2023 15:48:24 AEST ]]> Oxidation of 4-bromo-4'-chlorobiphenyl, model species for forming mixed halogenated aromatic compounds https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:33723 ortho substituted PXB as a model species yields a large number of halogenat ed compounds, including monochloro- and monobromobenzene and higher halogenated benzenes and naphthalenes and derivatives of halogenated benzenes (such as 1-chloro-4-ethynylbenzene). We also detect small amounts of chlorinated and mixed halogenated dibenzofurans. The present study provides insights into the formation of several classes of halogenated and mixed-halogenated pollutants in combustion processes involving both bromine and chlorine sources, such as those of brominated flame retardants and PVC plastics.]]> Wed 12 Dec 2018 15:55:08 AEDT ]]> Comparative study on the formation of toxic species from 4-chlorobiphenyl in fires: effect of catalytic surfaces https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:23789 p-dioxins and dibenzofurans, only isomers of chlorinated monochlorodibenzofuran (MCDF) and chlorinated dichlorodibenzofuran (DCDF) were found at low temperatures (300 to 450 °C), with 3-MCDF as the dominant congener. In our system, they appear to form in gas phase reactions involving 4-CB and singlet oxygen (¹Δg O₂), the latter generated on the reactor walls. The present results indicate that the combustion of 4-CB in fires will be dominated by catalytic surfaces of fly ash below 600 °C, and by gas-phase kinetics above 700 °C.]]> Wed 11 Apr 2018 16:10:06 AEST ]]> Thermal studies of chlorinated and mixed halogenated biphenyls https://ogma.newcastle.edu.au/vital/access/ /manager/Repository/uon:22026 Wed 11 Apr 2018 15:16:56 AEST ]]>