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Singlet-diradical character in large PAHs triggers spontaneous-ignition of coal

Altarawneh, M.ORCID: 0000-0002-2832-3886, Oluwoye, I.ORCID: 0000-0002-0221-020X and Dlugogorski, B.Z. (2020) Singlet-diradical character in large PAHs triggers spontaneous-ignition of coal. Combustion and Flame, 212 . pp. 279-281.

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Chemical phenomena dictating the spontaneous-ignition of coal remain highly speculative with some of the most intriguing questions appearing unaddressed. In this communication, we deploy a synergistic experimental-theoretical approach to elucidate the definite role of singlet-biradical PAHs in driving the low-temperature oxidation of coal. We establish that, five linearly-fused benzene rings (i.e., pentacene, as a model compound for the PAH content in coal, and an example of short-chain graphene nanoribbons) ignites 200 °C lower than the corresponding temperature for naphthalene.

Item Type: Journal Article
Murdoch Affiliation(s): Chemistry and Physics
Publisher: Elsevier Inc
Copyright: © 2019 The Combustion Institute
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