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

Mohammednoor Altarawneh; Ibukun Oluwoye; Bogdan Z. Dlugogorski

doi:10.1016/j.combustflame.2019.10.035

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

Mohammednoor Altarawneh, Ibukun Oluwoye, Bogdan Z. Dlugogorski

Research output: Contribution to journal › Article

Abstract

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.

Original language	English
Pages (from-to)	279-281
Number of pages	3
Journal	Combustion and Flame
Volume	212
DOIs	https://doi.org/10.1016/j.combustflame.2019.10.035
Publication status	Published - Feb 2020

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Altarawneh, M., Oluwoye, I., & Dlugogorski, B. Z. (2020). Singlet-diradical character in large PAHs triggers spontaneous-ignition of coal. Combustion and Flame, 212, 279-281. https://doi.org/10.1016/j.combustflame.2019.10.035

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KW - DFT

KW - Large PAHs

KW - Oxygen

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10.1016/j.combustflame.2019.10.035

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