八碳芳烃临氢异构化反应动力学模型Kinetic Model for Hydroisomerization Reaction of C8-Aromatics
徐欧官,苏宏业,金晓明,褚健
摘要(Abstract)：
针对某实际工业异构化装置,在已开发的八碳芳烃临氢异构化反应网络的基础上,将系统中的八碳环烷烃和八碳链烷烃作为一个集总组分,提出新的六组分异构化反应网络,由此建立了适用于工业生产的八碳芳烃临氢异构化反应动力学模型。考虑结焦对催化剂活性的影响,提出了一种经验形式的催化剂失活函数,能够合理地描述催化剂失活过程。采用四五阶Runge-Kutta法对模型方程进行数值求解,基于多套稳态平衡数据采用差分变尺度优化算法(BFGS)对动力学参数进行估计,进而在不同操作条件下对模型进行验证。结果表明估计值与工业标定值相当吻合,达到了工业应用的模拟精度要求。
关键词(KeyWords)： 八碳芳烃;临氢异构化;反应网络;动力学模型;催化剂失活函数;参数估计
基金项目(Foundation): 国家创新研究群体科学基金(NCRGSFC:60421002);; 浙江省新世纪151人才工程重点资助项目
作者(Author): 徐欧官,苏宏业,金晓明,褚健
参考文献(References)：
- [1]ZHAO Ren-dian(赵仁殿),JIN Zhang-li(金彰礼).Aromatics Industry(芳烃工学)[M].Beijing(北京):Chemical Industry Press(化学工业出版社),2001.
- [2]Collins D J,Medina R J,Davis B H.Xylene isomerization by ZSM-5zeolite catalyst[J].The Can J of Chem Eng,1983,61(2):29-35.
- [3]Li Y G,Chang X D,Zeng Z H.Kinetics study of the isomerization of xylene on HZSM-5.1.Kinetics model and reaction mechanism[J].Ind Eng Chem Res,1992,31(1):187-192.
- [4]Iliyas A,Al-Khattaf S.Xylene transformation over USY zeolite:an experimental and kinetic study[J].Appl Catal A:Gen,2004,269:225-236.
- [5]Iliyas A,Al-Khattaf S.Xylene isomerization over USY zeolite in a riser simulator:A comprehensive kinetic model[J].Ind Eng Chem Res,2004,43(6):1349-1358.
- [6]Iliyas A,Al-Khattaf S.Gas-phase isomerization of meta-xylene over USY zeolite in a Riser Simulator:a simplified kinetic model[J].Chemical Engineering Journal,2005,107:127-132.
- [7]Christoffel E G,R-bschl-ger K H.Kinetic investigation of the isomerization of C8-aromatics[J].The Can J of Chem Eng,1980,58(8):517-520.
- [8]Hsu Y S,Lee T Y,Hu H C.Isomerization of ethylebenzene and m-xylene on zeolite[J].Ind Eng Chem Res,1988,27(6):942-947.
- [9]WU Deng-xi(伍登熙),LIN Zheng-xian(林正仙).Kinetic modeling of hydroisomerization of C8-aromatics(Ⅰ)modeling and estimation of relative rate constants by the wei-prater method(八碳芳烃临氢异构化反应系统动力学模型(Ⅰ)用特征向量法研究选择性动力学)[J].J Chem Ind and Eng(China)(化工学报),1985,3(3):257-267.
- [10]WU Deng-xi(伍登熙),LIN Zheng-xian(林正仙).Kinetic modeling of hydroisomerization of C8-aromatics(Ⅱ)mathematical expression of ray vector and its application(八碳芳烃临氢异构化反应系统动力学模型(Ⅱ)射线向量的数学表达式及其应用)[J].J Chem Ind and Eng(China)(化工学报),1985,3(3):268-277.
- [11]DAI Xing(戴星),SHI Ya-jun(施亚钧).A sdudy on complex network reaction kinetics of hydroisomerization of C8-aromatics(八碳芳烃临氢异构化反应网络的动力学研究)[J].J Chem Ind and Eng(China)(化工学报),1989,3(3):323-330.
- [12]Ramage M P,Graziani K R,Krambeck F J.Development of mobil’s kinetic reforming model[J].Chem Eng Sci.1980,35(1):41-48.
- [13]ZHENG Yu(郑雨),WEI Fei(魏飞),JIN Yong(金涌).CFD simulation of FCC process in downer reactor(下行床反应器内催化裂化过程的CFD模拟)[J].J Chem Ind and Eng(China)(化工学报),2003,54(8):1078-1086.
- [14]Jacob S M,Gross B,Weekman JR V W.A lumping and reaction scheme for catalytic cracking[J].AIChE J,1976,22(4):701-713.
- [15]Van Trimpont P A,Marin G B,Froment G F.Reforming of C7hydrocarbons on sulfided commercial Pt/Al2O3catalyst[J].Ind Eng Chem Res,1988,27(1):51-57.
- [16]SONG Xu-qi(宋续祺),WANG Zhan-wen(汪展文),JIN Yong(金涌).Hydrodynamics of radial flow moving-bed reactor(移动床径向反应器中流体力学行为的研究)[J].J Chem Ind and Eng(China)(化工学报),1992,43(3):268-274.
- [17]WANG Jin-fu(王金福),JING Shan(景山),WANG Tie-feng(王铁峰)et al.Mathematical modeling and flow field characteristics of radial flow moving-bed reactors(径向移动床反应器流场特性及其数学模拟)[J].J Chem Eng of Chinese Univ(高校化学工程学报),1999,13(5):435-441.
- [18]XU Ou-guan(徐欧官),SU Hong-ye(苏宏业),CHU Jian(褚健).Research and development on modeling and simulation for catalytic cracking(催化裂化装置模拟研究与进展)[J].Control and Instrument in Chemical Industry(化工自动化及仪表),2005,32(6):1-6.
- [19]HUANG Hua-jing(黄华江).Practical Computer Simulation of Chemical Processes-MATLAB’s Application in Chemical Engineering(实用化工计算机模拟-MATLAB在化学工程中的应用)[M].Beijing(北京):Chemical Industry press(化学工业出版社),2004.
- [20]ZHANG Cheng-fang(张成芳).The optimum temperature conditions for deactivating catalysts-An analysis of irreversible first-order reaction(失活催化剂的最佳温度条件-一级不可逆反应的分析)[J].Journal of East China Institute of Chemical Technology(华东化工学院学报),1983,9(3):339-344.
- [21]HU Yong-yu(胡永有),SU Hong-ye(苏宏业),CHU Jian(褚健).Modeling and simulation of commercial catalytic reformers(工业重整装置建模与仿真)[J].J Chem Eng of Chinese Univ(高校化学工程学报),2003,17(4):418-424.