异丁烷高温热解反应动力学和机理  

Reaction Kinetics and Mechanism of the Pyrolysis of Isobutane at High Temperature

作　　者：应立明[1] 韩德刚[1] 杨惠星[1] 

机构地区：[1]北京大学化学系,北京100871

出　　处：《物理化学学报》1994年第3期223-229,共7页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金

摘　　要：用激波管激光纹影技术测定了异丁烷高温热解反应信号，对热解过程中重要单分子反应的降变行为作了理论计算，建立了由五十个基元反应组成的反应机理并进行了计算机模拟，本文得到引发反应i-C4H10→CH3＋i-C3H7在温度为1500－1850K，压1.00×104-2．00×104Pa时的速率常数为k1＝6．22×1011exp（－457000／RT）±50％（S-1）．这一结果与降变理论计算符合得很好．The pyrolysis reaction signals of isobutane at high temperature have been measured by the shock-tube laser-schlirene technique. The fall-offe of some essential uni molecular reactions occuring in the pyrolysis process have been calculated theoretically.A mechanism including fifty elementary reactions has been established and simulated by computer. Rate constant of the initial reaction i-C4H10→CH3+i-C3H7 obtained at temperature of 1500-1800K and pressure of 1 .00 ×104-2.00 ×104Pa was k1=6.22×1011exp (-457000/RT) ± 50%(s-1). The result was well accordant with the theoretical fall-off calculation.

关 键 词：热解 反应动力学 反应机理 异丁烷 

分 类 号：O623.11[理学—有机化学]