异丁酸热解实验和动力学模型研究  

Experimental and kinetic modeling study of isobutyric acid pyrolysis

作　　者：蒋思依 刘严 成有为[1,2] 王丽军 李希[1,3] JIANG Siyi;LIU Yan;CHENG Youwei;WANG Lijun;LI Xi(Key Laboratory of Biomass Chemical Engineering of Ministry of Education,College of Chemical and Biological Engineering,Zhejiang University,Hangzhou 310058,China;Institute of Zhejiang University-Quzhou,Quzhou 324000,China;Zhejiang Hengyi Petrochemical Research Institute Co.Ltd.,Hangzhou 311200,China)

机构地区：[1]浙江大学生物质化工教育部重点实验室,浙江大学化学工程与生物工程学院,浙江杭州310058 [2]浙江大学衢州研究院,浙江衢州324000 [3]浙江恒逸石化研究院有限公司,浙江杭州311200

出　　处：《高校化学工程学报》2023年第3期392-400,共9页Journal of Chemical Engineering of Chinese Universities

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、3122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。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 3122 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 theα-H abstraction).

关 键 词：异丁酸 热解 流动反应器 动力学模型 模拟 

分 类 号：TQ203.8[化学工程—有机化工]