1-己烯热裂解基元反应选择性分析

Selectivities of Elementary Reactions in 1-Hexene Pyrolysis

1-己烯在873~973 K温度区间热裂解转化反应经历自由基链式反应机理,主要产物包括C1~C3烷烃、C2~C4烯烃、丁二烯、环戊烷、环戊烯、焦炭和氢气.各种产物的生成涉及不同的基元反应途径,并具有不同的基元反应或然率（Reaction path probability,RPP）.提高反应温度有利于反应物分子的热均裂（链引发）和焦炭生成反应.随着反应温度从873 K提高到973 K,标志链式反应特征的动力学链长（KCL）从5.86缩短为5.19.

Pyrolysis of 1-hexene in temperature range of 873-973 K undergoes a chain mechanism of radical reactions.Primary products consist of C1-C3 paraffins,C2-C4 olefins,butadiene,cyclopentane,cyclopentene,coke and hydrogen.The formation of various products involve different elementary reactions with varying reaction path probability（RPP）.Rising temperature promotes the homolysis of the feed molecule（chain initiation） and coke formation.The average reaction chain length（KCL） decreases from 5.86 to 5.19 with increasing temperature from 873 K to 973 K.