摘要
建立了正丁烷、异丁烷和混和丁烷的热裂解自由基反应网络,通过量子化学计算方法,优化了反应模型的动力学参数,结合能量平衡、物料平衡和动量平衡建立了完整的丁烷热裂解自由基反应模型,该反应模型可预测以丁烷为原料的裂解产物的组成和各组分含量沿反应管长度的分布。利用模拟裂解实验装置验证了反应模型的准确性。
Free radical reaction network for steam cracking of n-butane,i-butane and mixed butane was established. The reaction kinetics parameters were optimized by means of quantum chemistry method. The entire free radical model for butane steam cracking was developed from view of integrating energy balance, material balance and momentum balance. This model can be used to predict composition of products and its distribution along the reactor tube when butanes are used as feedstock of steam cracking. The validity of the model had been confirmed by experiments of the bench-scale steam cracking.
出处
《石油化工》
EI
CAS
CSCD
北大核心
2007年第1期44-48,共5页
Petrochemical Technology
关键词
丁烷
热裂解
自由基
反应模型
反应动力学
乙烯
butane
steam cracking
free radical
reaction model
reaction kinetics
ethylene
