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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Principais autores:	Shaobo Qu, Xiaobo Wang, Tianyi Yang, Wenhao Deng, Sichen Liu, Hanzhong Deng, Yafei Shan, Hongguang Ji
Formato:	Artigo
Idioma:	Inglês
Publicado:	MDPI AG 2026-06-01
Series:	Fire
Assuntos:	valeric acid low molecular compounds quantum chemistry reaction channels active site coal spontaneous combustion
Acceso en liña:	https://www.mdpi.com/2571-6255/9/6/237
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