【摘要】 为了构建准确可靠的异丁酸热解反应动力学模型，采用流动反应器研究了异丁酸气相热解反应过程，考察了异丁酸分压为10～20 kPa、反应温度为848～908 K、停留时间为2～3.5 s条件下热解产物的变化规律；采用理论计算方法研究了异丁酸单分子热解、异构化、氢提取、β-裂解、中间体二甲基乙烯酮热解等反应路径，开发了1个包含271种组分、3 122步反应的详细动力学模型。结果表明，该模型能很好地预测热解产物的变化规律。通过生成速率和敏感性分析，得到了异丁酸热解过程，强调了氢提取反应的重要作用，α-H的提取反应是异丁酸的主要消耗路径。更多还原

【Abstract】 Kinetic model of isobutyric acid pyrolysis and product mole fraction profiles were investigated using a tubular reactor at 10-20 kPa, 848-908 K and residence time of 2-3.5 s. A detailed kinetic model involving 271 species and 3 122 reactions was developed based on the theoretical analysis, and the reaction paths of unimolecular pyrolysis of isobutyric acid, isomerization, H-atom abstraction, β-scissions and pyrolysis of dimethylketene were considered. It was found that the model gave a good prediction of the measured mole fraction profiles of the products. Production rate analysis and sensitivity analysis were conducted to obtain the pyrolysis process of isobutyric acid and underline the significant contribution of H-atom abstraction(especially the α-H abstraction).更多还原