Predicting Kinetic Parameters of Acetylene Hydrogenation Reaction Via Optimization Techniques

Authors

1 Iran University of Science and Technology

2 University of Tehran

Abstract

In this study simulation and optimization of an industrial acetylene hydrogenation reactor was studied. Three well known kinetic models were used for a nearly similar catalyst to predict the industrial data. Due to the complexity of the reactions, none of the offered kinetic models could be considered as an exact kinetic model and it is necessary to determine the kinetic parameters. One of the best methods to determine the kinetic of a process is to simulate the process and then minimize the deviations between industrial data and calculated ones. Thus the hydrogenation reactor was simulated at the industrial operating conditions which were taken from an operational petrochemical plant and the optimum kinetic parameters were determined using optimization technique. Since such problem has many local optima, the genetic algorithm (GA) and simulated annealing (SA) methods were used to optimize the kinetic parameters of the three models. Due to the strong dependency of the GA performance on the GA condition, it was tried to investigate the effect of GA parameters on overall GA performance in detail. For this purpose, different GA parameters were used to solve the problem and results were discussed.

Keywords


1- Brown, M.W., Penlidis, A. and Sullivan, G. (1991). "Control policies for an industrial acetylene
hydrogenation reactor.” The Can. J. of Chem. Eng., 69, 152.
2 - Huang, W. (1979). Optimize acetylene removal, Hydrocarbon processing, 59, 131.
3 Kalid, R.A. (1999). Modelagem, Simulação, Controle e Otimização de Conversores de Acetileno. Ph.D. di
Universidade de São Paulo, São Paulo, SP, Brazil.
4- Bos, A.N., Bootsma, E.S, Foeth, F., Sleyster, H.W. and Westertrep, K.R. (1993). “A kinetic study of the
hydrogenation of ethyne and ethene on a commercial Pd/Al2O3 catalyst.” Chem. Eng. Proc., Vol. 32, PP.53-
63.
5- Gobbo, R., Soares, R. P., Lansarin, M. A., Secchi, A. R., and Ferreira, J. M. P. (2004). “Modeling,
simulation, and optimization of a front-end system for acetylene hydrogenation reactors.” Brazilian Journal
of Chemical Engineering, 21, 545.
6- Menshchikov, V.A., Falkovich, Y.G. and Aerov, M.E. (1975). “Hydrogenation kinetics of acetylene on a
palladium catalyst in the presence of Ethylene.” Kinet. Catal., Vol. 16, PP. 1338-1355.
7- Froment, G. F. (1987). “The kinetics of complex catalytic reactions.” Chem. Engng. Sci. 42, 1073-1087.
8- Su,W. and Huang, H. (2005). “Development and calibration of a reduced chemical kinetic model of nheptane for HCCI engine combustion.” Fuel, 84, 1029.
9- Press, W. H., Flannery, B. P., Teukolsky, S. A., and Vetterling, W. T. (1986). “Numerical Recipes, Chap. IO
Cambridge University Press, New York.
10- Godienz , C., Cabanes, A.L. and Villor, G. (2002). “Experimental study of the selection hedrogenaton of
steam cracking C2 cut. Departmento de Ingenieria Quimica, Universidad de Murcia, Murcia, Spain,Chemical
Engineering Communications, 164:1, 225 – 247. 
11- J. Vincent, M. and D. Gonzalez, R. (2001). A Langmuir–Hinshelwood model for a hydrogen transfer
mechanism in the selective hydrogenation of acetylene over a Pd/γ -Al2O3 catalyst prepared by the sol–gel
method Applied Catalysis A: General 217 143–156.
12- Mansoornejad, B., Mostoufi, N. And Jalali-Farahani, F. (2008). “A hybrid GA–SQP optimization
technique for determination of kinetic parameters of hydrogenation reactions.” Computers & Chemical
Engineering, Vol. 32, Issue 7, 24, PP. 1447-1455.
13- De Jong, K. (1975). An Analysis of the Behaviour of a Class of Genetic Adaptive Systems, PhD Thesis,
University of Michigan.
14- Holland, J.H. (1975). Adaption in Natural and Artificial Systems, University of Michigan Press, Ann Arbor,
MI.
15- Ingber,L. (1998). “Simulated annealing : practive versus theory.” Mahl. Comput. Modeling , 11-18.
16- Gofee, W.L., Ferrier, G.D. and Rogers, J. (2000). “Global optimization of statistical function with simulated
annealing.” J .Econometrics ,65-100.