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

被引：10

作者：

Altarawneh, Mohammednoor ^{[1
]}

Oluwoye, Ibukun ^{[2
]}

Dlugogorski, Bogdan Z. ^{[3
]}

机构：

[1] United Arab Emirates Univ, Dept Chem & Petr Engn, Sheikh Khalifa Bin Zayed St, Al Ain 15551, U Arab Emirates

[2] Murdoch Univ, Coll Sci Hlth Engn & Educ, Discipline Chem & Phys, 90 South St, Murdoch, WA 6150, Australia

[3] Charles Darwin Univ, Off Deputy Vice Chancellor Res & Innovat, Darwin, NT 0909, Australia

来源：

COMBUSTION AND FLAME | 2020年 / 212卷

基金：

澳大利亚研究理事会;

关键词：

Large PAHs; spontaneous-ignition of coal; DFT; Oxygen; POLYCYCLIC AROMATIC-HYDROCARBONS; OXYGEN;

D O I：

10.1016/j.combustflame.2019.10.035

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

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 degrees C lower than the corresponding temperature for naphthalene. (C) 2019 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

引用

页码：279 / 281

页数：3

共 5 条

[1] Understanding the Nonlinear Hammett Relationship in Osmylation of Olefins with OsO4-Amine Ligands: Importance of Singlet-Diradical Character
Deng, Yi-Hui
Sun, Tian-Yu
Wu, Yun-Dong
[J]. JOURNAL OF ORGANIC CHEMISTRY, 2024, 89 (16): : 11173 - 11182
[2] A Parametric Study of Spontaneous Ignition in Large Coal Stockpiles
Muthu Kumaran, S.
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Rangwala, Ali. S.
[J]. FIRE TECHNOLOGY, 2020, 56 (03) : 1013 - 1038
[3] A Parametric Study of Spontaneous Ignition in Large Coal Stockpiles
S. Muthu Kumaran
Vasudevan Raghavan
Ali. S. Rangwala
[J]. Fire Technology, 2020, 56 : 1013 - 1038
[4] Can the high reactivity of azomethine betaines in [3+2] cycloaddition reactions be explained using singlet-diradical character descriptors? What molecular mechanism is actually involved in these cycloadditions?
Emamian, Saeedreza
Lu, Tian
Moeinpour, Farid
[J]. RSC ADVANCES, 2015, 5 (76) : 62248 - 62259
[5] Spontaneous ignition characteristics of coal in a large-scale furnace: An experimental and numerical investigation
Wen, Hu
Yu, Zhijin
Deng, Jun
Zhai, Xiaowei
[J]. APPLIED THERMAL ENGINEERING, 2017, 114 : 583 - 592

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