Modeling and Simulation of Ethylene Polymerization in Industrial Slurry Reactor Series

doi:10.1016/S1004-9541(13)60553-4

Abstract

Abstract: A five-site comprehensive mathematical model was developed to simulate the steady-state behavior of industrial slurry polymerization of ethylene in multistage continuous stirred tank reactors. More specifically, the effects of various operating conditions (i.e., inflow rates of catalyst, hydrogen and comonomer) on the molecular structure and properties of polyethylene (i.e., M_w, M_n, polydispersity index (I_PD), melt index, density, etc.) are fully assessed. It is shown that the proposed comprehensive model is capable of simulating the steady-state operation of an industrial slurry stirred tank reactor series. It is demonstrated that changing the catalyst flow rate, changes simultaneously the mean residence-time in both reactors, which plays a significant role on the establishment of polyethylene architecture properties such as molecular mass and I_PD. The melt index and density of polyethylene are mainly controlled by hydrogen and comonomer concentration, respectively.

Key words: bimodal polyethylene, multiple tanks in series, simulation, polymerization

摘要： A five-site comprehensive mathematical model was developed to simulate the steady-state behavior of industrial slurry polymerization of ethylene in multistage continuous stirred tank reactors. More specifically, the effects of various operating conditions (i.e., inflow rates of catalyst, hydrogen and comonomer) on the molecular structure and properties of polyethylene (i.e., M_w, M_n, polydispersity index (I_PD), melt index, density, etc.) are fully assessed. It is shown that the proposed comprehensive model is capable of simulating the steady-state operation of an industrial slurry stirred tank reactor series. It is demonstrated that changing the catalyst flow rate, changes simultaneously the mean residence-time in both reactors, which plays a significant role on the establishment of polyethylene architecture properties such as molecular mass and I_PD. The melt index and density of polyethylene are mainly controlled by hydrogen and comonomer concentration, respectively.

关键词: bimodal polyethylene, multiple tanks in series, simulation, polymerization

MENG Weijuan, LI Jianwei, CHEN Biaohua, LI Hongbo. Modeling and Simulation of Ethylene Polymerization in Industrial Slurry Reactor Series[J]. Chin.J.Chem.Eng., 2013, 21(8): 850-859.

孟伟娟, 李建伟, 陈标华, 李洪泊. Modeling and Simulation of Ethylene Polymerization in Industrial Slurry Reactor Series[J]. Chinese Journal of Chemical Engineering, 2013, 21(8): 850-859.

References

1 Debras, G., Messiaen, M., "Production of polyethylene having a broad molecular weight distribution", U.S. Pat., 6221982 (2001).

2 Aliahmed, H., Hagerty, R.O., "Process for producing bimodal ethylene polymers in tandem reactors", Eur. Pat. 0503791 (1992).

3 Ahvenainen, A., Sarantila K., Andtsjoe, H., Takakarhu J., Palmroos, A., "Multi-stage process for producing polyethylene", Eur. Pat., 0517868 (1992).

4 Tajima, Y., Nomiyama, K., Nishikitani, Y., Kuroda, N., Matsuura, K., "Process for preparing ethylene polymers", Eur. Pat., 237294 (1987).

5 Fontes, C., Mendes, M.J., "Modelling and simulation of an industrial slurry reactor for ethylene polymerization", Lat. Am. Appl. Res., 31 (4), 345-352 (2001).

6 Khare, N.P., Kevin, C., Seavey, Y.A., "Steady-state and dynamic modeling of commercial slurry high-density polyethylene (HDPE) processes", Ind. Eng. Chem. Res., 41 (23), 5601-5618 (2002).

7 Antonio, G., Mattos, N., Marcelo, F., "Modeling ethylene/1-butene copolymerizations in industrial slurry reactors", Ind. Eng. Chem. Res., 44 (8), 2697-2715 (2005).

8 Nipun, J.S., Sunil, S.B., "Simulation of slurry polymerization of ethylene", Int. J. Chem. Reactor Eng., 6 (1), 1-26 (2008).

9 Pontes, K.V., Cavalcanti, M., Filho, R.M., Embirucu, M., "Modeling and simulation of ethylene and 1-butene copolymerization in solution with a Ziegler-Natta catalyst", Int. J. Chem. Reactor Eng., 8 (1), 1-36 (2010).

10 Ibrehem, A.S., Hussain, M.A., Ghasem, N.M., "Mathematical model and advanced control for gas-phase olefin polymerization in fluidized-bed catalytic reactors", Chin. J. Chem. Eng., 16 (1), 84-89 (2008).

11 Zhu, X.H., Guo, Z.F., Cen, W., Mao, B.Q., "Ethylene polymerization using improved polyethylene catalyst", Chin. J. Chem. Eng., 19 (1), 52-56 (2011).

12 Guo, Z.F., Chen, W., Zhou, J., Yang, H., "Novel high performance Ziegler-Natta catalyst for ethylene slurry polymerization", Chin. J. Chem. Eng., 17 (3), 530-534 (2009).

13 Fontes, C.H., Mendes, M.J., "Analysis of an industrial continuous slurry reactor for ethylene-butene copolymerization", Polymer, 46 (9), 2922-2932(2005).

14 Mcauley, K.B., Macgregor, J.F., Hamielec, A.E., "A kinetic model for industrial gas-phase ethylene copolymerization", AIChE J., 36 (6), 837-850 (1990).

15 Debling, J.A., Zacca, J.J., Ray, W.H. "Reactor residence time distribution effects on the multistage polymerization of olefins. III. Multi-layered products: Impact polypropylene", Chem. Eng. Sci., 52 (12), 1969-2001 (1997).

16 Zacca, J.J., Debling, J.A., Ray, W.H. "Reactor residence time distribution effects on the multistage polymerization of olefins. II. Polymer properties: Bimodal polypropylene and linear low-density polyethylene", Chem. Eng. Sci., 52 (12), 1941-1967 (1997).

17 Oh, S.J., Lee, J.S., Park, S.W., "Prediction of pellet properties for an industrial bimodal high-density polyethylene process with Ziegler-Natta catalysts", Ind. Eng. Chem. Res., 44 (1), 8-20 (2005).

18 Wei, G.Y., Wang, J.D., Yang, Y.R., "Optimal grade transition based on residence time distribution of catalyst particles in bimodal polyethylene production process", Journal of Chemical Industry and Engineering (China), 60 (11), 2847-2853 (2009). (in Chinese)

19 Touloupides, V., Kanellopoulos, V., Pladis, P., Kiparissides, C., Mignon, D., Van-Grambezen, P., "Modeling and simulation of an industrial slurry-phase catalytic olefin polymerization reactor series", Chem. Eng. Sci., 65 (10), 3208-3222 (2010).

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