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Influence of Iron Oxide on the Pyrolysis of Poly (vinyl chloride) (PVC)

Ahmed, O.H., Altarawneh, M. and Jiang, Z-T (2016) Influence of Iron Oxide on the Pyrolysis of Poly (vinyl chloride) (PVC). In: 2016 Australian Institute of Physics (AIP) Western Australian Postgraduate Conference, 13 October 2016, University of Western Australia, Perth


Poly (vinyl chloride) (PVC) plastic represents an indelible fraction of electronic devices. Among various treatment methods, co-pyrolysis of PVC with metal oxides, particularly (iron oxide), constitutes an appropriate disposal technique from the point view of environmental safeguard or energy recovery. It has been found that Fe2O3 nanoparticles absorb and dissociate HCl molecules and form a cluster-molecule adduct with a small activation barrier of 10.6 kcal mol-1. Theoretical aspect of adsorption behaviors of HCl over Fe2O3 cluster agree relatively well with recent experimental studies: underlying formation of iron chlorides during interaction of HCl and iron oxides [1].

This contribution provides a systematic theoretical kinetic study of the initial interplay of hematite nanoparticles with chlorine-bearing compounds (namely as hydrogen chloride, chloroethene, 1-chloro-1-propene, chloroethane, 2-chloropropane, chlorobenzene and 2-chlorophenol) that are released from the degradation of PVC. A detailed kinetic analysis points out that, subsequent addition of HCl to Fe(Cl)-O(H) structures leads to convert Fe2O3 into oxychlorines and iron chlorides. Then, elimination of H2O molecule proceeds via an intramolecular hydrogen transfer. The analyses of the transition structures indicate that, there are two possible pathways to operate in the reaction of chlorinated alkanes and alkenes with α-Fe2O3 clusters, i.e., direct elimination and dissociative addition. These two pathways assume competing significance in formation of acetylene from vinyl chloride. Results from this study should be instrumental to understand on a precise molecular basis fixation of halogens on transitional metal oxides; a viable recycling options for polymeric materials laden with halogenated constituents.

Publication Type: Conference Paper
Murdoch Affiliation: School of Engineering and Information Technology
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