基于Single Event方法的正辛烷加氢裂化机理动力学研究

石油炼制与化工 ›› 2015, Vol. 46 ›› Issue (11): 12-19.

基于Single Event方法的正辛烷加氢裂化机理动力学研究

贾雷^1,2,郝栩^1,3,周利平³,杨勇^1,3

1. 中国科学院山西煤炭化学研究所煤转化国家重点实验室
2. 中国科学院大学 3.煤炭间接液化国家工程实验室

收稿日期:2015-04-20 修回日期:2015-04-30 出版日期:2015-11-12 发布日期:2015-10-27
通讯作者: 郝栩 E-mail:haoxu@sxicc.ac.cn
基金资助:
国家高技术研究发展计划（863）;国家重点基础研究发展计划（973）

N-OCTANE HYDROCRACKING KINETIC MODELING BASED ON SINGLE EVENT METHOD

Received:2015-04-20 Revised:2015-04-30 Online:2015-11-12 Published:2015-10-27

摘要/Abstract

摘要： 研究了Ni-W催化剂催化正辛烷加氢裂化的详细机理动力学。管式固定床反应器采集动力学实验数据，各实验条件下加氢裂化产物均通过色质联用分析获取其详细的产物组成。根据碳正离子反应机理建立了简化的反应网络，各基元步骤中PCP异构化和β位断裂为速率控制步。通过Single Event方法对速率系数的模型化，基于详细基元步骤的正辛烷加氢裂化动力学模型独立参数个数得到简化，遗传算法和Marquardt算法对12个动力学参数进行回归。对于不同反应条件下的产物生成速率，模型计算值与实验值符合良好。由于Single Event方法所得的动力学模型参数与原料的碳数组成无关，因此该结果可以为进一步外推到高碳数的模型化合物和费-托蜡等复杂油品的加氢裂化动力学计算提供有意义的参考。

Abstract: The n-octane hydrocracking kinetic modeling was studied over a Ni-W catalyst. The kinetic data were obtained in a tubular fixed-bed reactor. The condensed liquids and non-condensable gas components were analyzed by offline and online GCs, respectively. The reaction network was built based on the carbenium-ion mechanism. PCP isomerization and β-scission were assumed as rate determining steps. With the application of Single Event method, the number of independent parameters was reduced. The genetic algorithm and the Marquardt algorithm were used for 12 parameters estimation. The calculated rate values are in agreement with the experimental values. The parameters can be used in kinetic studies of FT wax hydrocracking and other materials with high carbon because of the intrinsic property of the Single Event based values.

贾雷郝栩周利平杨勇. 基于Single Event方法的正辛烷加氢裂化机理动力学研究[J]. 石油炼制与化工, 2015, 46(11): 12-19.

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