Catalytic de-chlorination of products from PVC degradation by magnetite (Fe3O4)

O.H. Ahmed; M. Altarawneh; M. Al-Harahsheh; Z-T Jiang; B.Z. Dlugogorski

doi:10.1016/j.apsusc.2019.03.017

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Catalytic de-chlorination of products from PVC degradation by magnetite (Fe3O4)

Journal article

Open access

Peer reviewed

Catalytic de-chlorination of products from PVC degradation by magnetite (Fe3O4)

O.H. Ahmed, M. Altarawneh, M. Al-Harahsheh, Z-T Jiang and B.Z. Dlugogorski

Applied Surface Science, Vol.480, pp.792-801

2019

DOI: https://doi.org/10.1016/j.apsusc.2019.03.017

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Abstract

This contribution provides a systematic theoretical thermo-kinetic study of the initial reactions between Fe3O4(111) surface, as a representative model for metal oxides in electric arc furnace dust (EAFD) with HCl and selected chlorinated hydrocarbons, as major products from thermal degradation of PVC. Formation of the experimentally observed iron chloride occurs by subsequent dissociative addition of HCl molecules followed by H migration into a surface hydroxyl group. We provided Arrhenius parameters for reactions dictating the conversion of iron oxide into its chloride. In the course of the interaction of chlorinated alkanes and alkenes with the Fe3O4 surface, the opening channel in the dissociative addition route requires lower activation barriers in reference to the direct HCl elimination pathways. However, sizable activation barriers are encountered in the subsequent β CH bond elimination step. Estimated electronic charges confirm the nature of surface FeCl bonds as Lewis acid−base pair. The obtained accessible reaction barriers for reactions of chlorinated alkanes and alkenes with the title iron oxide demonstrate that the latter serve as active catalysts in producing clean olefins streams from chlorinated alkanes. Results from this study should be instrumental to understand, on a precise atomic scale, mechanisms operating in fixation of halogens on transitional metal oxides; a viable thermal recycling approach for polymeric materials laden with halogenated constituents.

Details

Title: Catalytic de-chlorination of products from PVC degradation by magnetite (Fe3O4)
Authors/Creators: O.H. Ahmed (Author/Creator) - Murdoch University
M. Altarawneh (Author/Creator) - Al-Hussein Bin Talal University
M. Al-Harahsheh (Author/Creator) - Jordan University of Science and Technology
Z-T Jiang (Author/Creator) - Murdoch University
B.Z. Dlugogorski (Author/Creator) - Murdoch University
Publication Details: Applied Surface Science, Vol.480, pp.792-801
Publisher: Elsevier BV
Identifiers: 991005546327307891
Murdoch Affiliation: School of Engineering and Information Technology
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 7 Engineering & Materials Science; 7.229 Mineral & Metal Processing; 7.229.774 Bioleaching
Web Of Science research areas: Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter
ESI research areas: Materials Science