Kinetic model for hydroisomerization reaction of C8-aromatics
Tóm tắt
Based on the reported reaction networks, a novel six-component hydroisomerization reaction network with a new lumped species including C8-naphthenes and C8-paraffins is proposed and a kinetic model for a commercial unit is also developed. An empirical catalyst deactivation function is incorporated into the model accounting for the loss in activity because of coke formation on the catalyst surface during the long-term operation. The Runge-Kutta method is used to solve the ordinary differential equations of the model. The reaction kinetic parameters are benchmarked with several sets of balanced plant data and estimated by the differential variable metric optimization method (BFGS). The kinetic model is validated by an industrial unit with sets of plant data under different operating conditions and simulation results show a good agreement between the model predictions and the plant observations.
Tài liệu tham khảo
Zhao R D, Jin Z L. Aromatics Industry. Beijing: Chemical Industry Press, 2001 (in Chinese)
Collins D J, Medina R J, Davis B H. Xylene isomerization by ZSM-5 zeolite catalyst. The Can J of Chem Eng, 1983, 61: 29–35
Li Y G, Chang X D and Zeng Z H. Kinetics study of the isomerization of xylene on HZSM-5. 1: Kinetics model and reaction mechanism. Ind Eng Chem Res, 1992, 31(1): 187–192
Iliyas A, Al-Khattaf S. Xylene transformation over USY zeolite: an experimental and kinetic study. Appl Catal Gen A, 2004, 269: 225–236
Iliyas A, Al-Khattaf S. Xylene isomerization over USY zeolite in a Riser Simulator: a comprehensive kinetic model. Ind Eng Chem Res, 2004, 43(6): 1349–1358
Iliyas A and Al-Khattaf S. Gas-phase isomerization of meta-xylene over USY zeolite in aRiser Simulator: a simplified kinetic model. Chemical Engineering Journal, 2005, 107: 127–132
Röbschläger K H and Christoffel E G. Kinetic investigation of the isomerization of C8-aromatics. The Cana J of Chem Eng, 1980, 58: 517–520
Hsu Y S, Lee T Y and Hu H C. Isomerization of ethylebenzene and m-xylene on zeolite. Ind Eng Chem Res, 1988, 27(6): 942–947
Wu D X, Lin Z X. Kinetic modeling of hydroisomerization of C8-aromatics. I: Modeling and estimation of relative rate constants by the Wei-Prater method. Journal of Chemical Industry and Engineering (China), 1985, 3(3): 257–267 (in Chinese)
Wu D X, Lin Z X. Kinetic modeling of hydroisomerization of C8-aromatics. II: Mathematical expression of ray vector and its application. Journal of Chemical Industry and Engineering (China), 1985, 3(3): 268–277 (in Chinese)
Dai X, Shi Y J. A sdudy on complex network reaction kinetics of hydroisomerization of C8-aromatics. Journal of Chemical Industry and Engineering (China), 1989, 3(3): 323–330 (in Chinese)
Ramage M P, Graziani K R and Krambeck F J. Development of Mobil’s kinetic reforming model. Chem Eng Sci, 1980, 35(1): 41–48
Zheng Y, Wei F, Jin Y. CFD simulation of FCC process in Downer reactor. Journal of Chemical Industry and Engineering (China), 2003, 54(8): 1087–1086 (in Chinese)
Jacob S M, Gross B and Weekman J R V W. A lumping and reaction scheme for catalytic cracking. AIChE J, 1976, 22(4): 701–713
Van Trimpont P A, Marin G B and Froment G F. Reforming of C7 hydrocarbons on Sulfided commercial Pt/Al2O3 catalyst. Ind Eng Chem Res, 1988, 27(1): 51–57
Song X Q, Wang Z W, Jin Y. Hydrodynamics of radial flow moving-bed reactor. Journal of Chemical Industry and Engineering (China), 1992, 43(3): 268–274 (in Chinese)
Wang J F, Jing S, Wang T F, Jin Y, Ma X Q, Gao L P. Mathematical modeling and flow field characteristics of radial flow moving-bed reactors. Journal of Chemical Engineering of Chinese Universites, 1999, 13(5): 435–441 (in Chinese)
Huang H J. Practical computer simulation of chemical processes-MATLAB’s application in chemical engineering. Beijing: Chemical Industry press, 2004 (in Chinese)
Zhang C F. The optimum temperature conditions for deactivating catalysts—an analysis of irreversible first-order reaction. Journal of East China Institute of Chemical Technology, 1983, 9(3): 339–344 (in Chinese)
Szépe S, Levenspie O. Optimal temperature policies for reactors subject to catalyst deactivation—I Batch reactor. Chemical Engineering Science, 1968, 23: 881–894
Hu Y Y, Su H Y, Chu J. Modeling and simulation of commercial catalytic reformers. Journal of Chemical Engineering of Chinese Universites, 2003, 17(4): 418–424 (in Chinese)