乙烷裂解自由基机理模型的数值模拟  

Numerical Simulation of the Free Radical Mechanism Model of Ethane Cracking

作　　者：李金莲[1] 刘鸿艳 张红梅[1] 吴红军[1] 张永军[2] LI Jinlian;LIU Hongyan;ZHANG Hongmei;WU Hongjun;ZHANG Yongjun(Provincial Key Laboratory of Oil&Gas Chemical Technology,Northeast Petroleum University,Daqing 163318;Daqing Chemical Research Center,CNPC,Daqing 163714,China)

机构地区：[1]东北石油大学化学化工学院石油与天然气化工省重点实验室,黑龙江大庆163318 [2]中石油大庆化工研究中心,黑龙江大庆163714

出　　处：《化学工程与装备》2022年第9期1-6,共6页Chemical Engineering & Equipment

基　　金：东北石油大学校青年基金项目(2019QNL-35)资助。

摘　　要：在已有乙烷蒸汽热裂解自由基机理反应动力学模型的基础上,利用一维模型对乙烷热裂解反应历程进行模拟,分析链终止反应对产物及自由基浓度分布的影响。当无链终止反应时,乙烯与氢气的生成量相同;当链终止反应存在时,沿管轴向乙烯生成量大于氢气。通过对存在不同链终止反应的乙烷裂解自由基机理反应路径进行分析可知,对乙烷裂解过程产物分布改变产生影响是由于链终止反应H·+CH·→CH参与的结果。Based on the dynamics of the radical mechanism, one-dimensional model is used to analyze the effect of chain termination reaction on the distribution of products and radical concentration.In the presence of the chain termination reaction, the amount of ethylene production is larger than the hydrogen production. When the chain termination reactiondoes not exist, the amount of ethylene production is same as the hydrogen production.Through the analysis of free radical reaction mechanism, the results show that the superposition principle and collision theory of radical reaction mechanism make the content of ethylene and hydrogen produced by ethane cracking after adding the chain termination reaction different.

关 键 词：乙烷 热裂解 动力学模型 自由基 反应机理 模拟 

分 类 号：TQ221.211[化学工程—有机化工]