我国陕北地区的侏罗纪煤层变质程度较低，在开采过程中自燃危险性高，不但威胁着煤矿的安全生产，而且造成严重的环境污染和资源浪费。本论文采用理论分析、实验研究和数学计算相结合的方法，针对陕北侏罗纪煤的低温氧化过程，研究其氧化反应性及宏观动力学特性，确定陕北侏罗纪煤氧化自燃过程中的关键活性基团，对其自燃机理以及防治新技术的研究具有重要的理论指导意义。 采用工业分析仪、元素分析仪、物理化学吸附仪、X-射线衍射仪、扫描电子显微镜和傅里叶红外光谱仪等，系统研究了陕北侏罗纪煤的煤质、元素组成、微晶结构、比表面积、孔径分布、微观形态及官能团分布特征，从物理化学结构与氧吸附特性角度分析了对陕北侏罗纪煤自燃的影响；利用热重与红外联用实验，研究了陕北侏罗纪煤氧化和热解过程的质量与气体产物变化，得到其低温氧化过程可以分为水分蒸发及气体脱附失重和吸氧增重两个阶段，确定了两个阶段的自燃特征温度及气体产生规律；基于多升温速率的FWO和Kissinger方法，分别计算了陕北侏罗纪煤低温氧化过程两个阶段的动力学参数，得到在水分蒸发及气体脱附失重阶段表观活化能随温度的升高而降低，平均活化能为30 ~ 60 kJ/mol，在吸氧增重阶段随温度的升高而增加，平均活化能为80 ~ 120 kJ/mol，利用Bagchi法分别确定了两个阶段的动力学模式函数；采用差示扫描量热实验，研究了陕北侏罗纪煤氧化与热解过程的热效应变化，得到了低温氧化过程两个阶段的热效应特性，以及吸、放热速率的变化规律；并采用原位漫反射傅里叶红外光谱仪，测试了陕北侏罗纪煤热解和氧化过程的主要官能团变化特征，确定了陕北侏罗纪煤低温氧化过程两个阶段的活性基团及其变化规律。 基于Pearson相关系数和灰色关联分析方法计算了陕北侏罗纪煤氧化过程活性基团与表观活化能变化的相关性，得到陕北侏罗纪煤不同活性基团对低温氧化过程两个阶段影响不同。采用Pearson相关系数的正负性和灰色关联度，定量表征了不同活性基团对氧化过程的影响程度，确定了陕北侏罗纪煤样低温氧化过程水分蒸发及气体脱附阶段的关键活性基团为游离羟基、羧基、羰基和C=C结构，吸氧增重阶段的关键活性基团为脂肪烃甲基和亚甲基、C-O醚键等，从关键活性基团反应性角度微观解释了陕北侏罗纪煤氧化动力学及热效应特性。

The metamorphic grade of Jurassic coal seams in north Shaanxi is lower, the spontaneous combustion risk of which is very high in the mining process, not only threatening the safety of coal production, but also creating serious environmental pollution and resource wasting. Combining theoretical analysis, experimental study and mathematical method, the oxidation process, kinetics, thermal effect in macro reaction and microscopic reactivity features of the Jurassic coal in north Shaanxi were studied, and then the mechanism of spontaneous combustion of Jurassic coal was revealed. It was a very important theoretical guiding significance for forecasting and preventing the Jurassic coal spontaneous combustion in north Shaanxi. Using proximate analysis instrument, elemental analyzer, physico-chemical adsorption instrument, X-ray diffractometer, scanning electron microscope and Fourier infrared spectrometer, the coal property, specific surface area and microscopic pore structure of Jurassic coal in north Shaanxi were analyzed. And the physical and chemical structures, microcrystalline structure, pore size distribution and micromorphology characteristics of Jurassic coal were systematically studied, the characterization of affecting the adsorption property of oxygen, oxidation reaction and thermal effect of Jurassic coal in north Shaanxi were obtained. TG-FTIR experiments were conducted to study the grading characteristics in oxidation process of the Jurassic coal in north Shaanxi, and the characteristic temperature of coal spontaneous combustion and gas generating law at two stages were determined; The kinetics characteristics of the Jurassic coal in north Shaanxi at two stages of oxidation process studied by FWO and Kissinger method, obtaining the changing rules of the apparent activation energy in the coal oxidation process at low temperature. And the reaction kinetics mechanism functions at two stages of Jurassic coal in north Shaanxi were determined. The DSC experiments were conducted to analyze the thermal effect of Jurassic coal in the oxidation process, and the variation of endothermic and exothermic characteristic and the rate of thermal effects were indentified; By Fourier infrared spectrometer the microstructure in oxidation process was studied, and the key active groups and variation rule in different stages of oxidation process were finally determined. The methods of Pearson correlation coefficient and gray correlation analysis were used to analyze the correlation between the changes of active groups and apparent activation energy of Jurassic coal in the oxidation process in north Shaanxi. The impact degrees of thermogravimetric changes at the two stages by the active groups’ reactivity were different. According to the positive or negative correlation coefficient and the grey relational degree, the influence of different active groups on the oxidation reaction were characterized to determine the key active group of oxidation reaction at the two stages. Based on correlation analysis, the changing characteristics of kinetics and thermal effects in the oxidation process at low temperature were finally explained by the key active group reaction.