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 |
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Pages (from-to) | 279-281 |
Number of pages | 3 |
Journal | Combustion and Flame |
Volume | 212 |
DOIs | |
Publication status | Published - Feb 2020 |
Keywords
- DFT
- Large PAHs
- Oxygen
- spontaneous-ignition of coal
ASJC Scopus subject areas
- General Chemistry
- General Chemical Engineering
- Fuel Technology
- Energy Engineering and Power Technology
- General Physics and Astronomy