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

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 drivi...

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Bibliographic Details
Published inCombustion and flame Vol. 212; pp. 279 - 281
Main Authors Altarawneh, Mohammednoor, Oluwoye, Ibukun, Dlugogorski, Bogdan Z.
Format Journal Article
LanguageEnglish
Published New York Elsevier Inc 01.02.2020
Elsevier BV
Subjects
Benzene
Coal
DFT
Graphene
Ignition
Large PAHs
Low temperature
Naphthalene
Organic chemistry
Oxidation
Oxygen
spontaneous-ignition of coal
Oxygen
DFT
Large PAHs
spontaneous-ignition of coal
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Summary: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.
ISSN:0010-2180
1556-2921
DOI:10.1016/j.combustflame.2019.10.035