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Heat release characteristics of the oxidation of aliphatic hydrocarbon groups and its effects on the spontaneous combustion of coal

机译:脂族烃基氧化的热释放特性及其对煤炭自燃燃烧的影响

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The heat release characteristics of reactions of -CH_3, -CH_2- in coal were studied based on organic chemistry and quantum chemistry analysis methods. The structure model of -CH_3 , -CH_2- was established and the reaction processes of the functional groups during spontaneous combustion were analyzed. Using quantum chemistry analysis method, gibbs free energy change and enthalpy change of the reactions were calculated. The results indicate that aliphatic hydrocarbons can react with oxygen and there is a lot of heat of about 400 to 500 kJ/mol released from these reactions. By comparing the heat release characteristics of the reactions of the aliphatic hydrocarbon groups with the oxygen consumption, gas production and temperature rising characteristics of the coal, it is concluded that oxidation of aliphatic hydrocarbons do not occurred in the initial stage of spontaneous combustion of coal and it is the key to determine the spontaneous combustion characteristics of the coal.
机译:基于有机化学和量子化学分析方法研究了-CH_3,-CH_2-煤的反应的热释放特性。分析了-CH_3,-CH_2-的结构模型,分析了在自发燃烧过程中官能团的反应过程。使用量子化学分析方法,计算了GIBBS自由能量变化和反应的焓变。结果表明,脂族烃可以与氧气反应,并从这些反应中释放约400至500kJ / mol的热量。通过将脂族烃基反应的热释放特性与煤的氧消耗,气体产生和温度上升的特性进行比较,得出结论是,脂肪族烃的氧化不会发生在煤炭的初始燃烧阶段确定煤炭自燃特性的关键。

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