Oxidation Mechanisms of Low Molecular Valeric Acidic Compounds in Coal Spontaneous Combustion

Coal spontaneous combustion seriously threatens the safety of coal mine production, and studies on low molecular compounds in coal spontaneous combustion are limited. The chemical reaction process of low molecular compound valeric acid in coal spontaneous combustion was studied using B3LYP/6-311G qu...

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Hlavní autoři:	Shaobo Qu, Xiaobo Wang, Tianyi Yang, Wenhao Deng, Sichen Liu, Hanzhong Deng, Yafei Shan, Hongguang Ji
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2026-06-01
Edice:	Fire
Témata:	valeric acid low molecular compounds quantum chemistry reaction channels active site coal spontaneous combustion
On-line přístup:	https://www.mdpi.com/2571-6255/9/6/237
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