Steady-state and dynamic simulation of gas phase polyethylene process

doi:10.1016/j.cjche.2024.07.026

中国化学工程学报 ›› 2024, Vol. 75 ›› Issue (11): 110-120.DOI: 10.1016/j.cjche.2024.07.026

Steady-state and dynamic simulation of gas phase polyethylene process

Xiaodong Hong^1,2, Wanke Chen¹, Zuwei Liao¹, Xiaoqiang Fan³, Jingyuan Sun¹, Yao Yang¹, Chunhui Zhao⁴, Jingdai Wang¹, Yongrong Yang¹

1. State Key Laboratory of Chemical Engineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China;
2. Engineering Research Center of Functional Materials Intelligent Manufacturing of Zhejiang Province, ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou 311215, China;
3. Ningbo Research Institute, Zhejiang University, Ningbo 315100, China;
4. State Key Laboratory of Industrial Control Technology, College of Control Science and Engineering, Zhejiang University, Hangzhou 310027, China

收稿日期:2023-08-23 修回日期:2024-07-07 接受日期:2024-07-21 出版日期:2024-11-28 发布日期:2024-09-30
通讯作者: Zuwei Liao,E-mail:liaozw@zju.edu.cn
基金资助:
The financial support provided by the Project of the National Key Research and Development Program of China (2018YFA0704601), the National Natural Science Foundation of China (U22A20415, 22308314), the Natural Science Foundation of Zhejiang Province, China (LQ24B060001), and the “Pioneer” and “Leading Goose” Research and Development Program of Zhejiang, China (2022C01SA442617) are gratefully acknowledged.

Steady-state and dynamic simulation of gas phase polyethylene process

Xiaodong Hong^1,2, Wanke Chen¹, Zuwei Liao¹, Xiaoqiang Fan³, Jingyuan Sun¹, Yao Yang¹, Chunhui Zhao⁴, Jingdai Wang¹, Yongrong Yang¹

1. State Key Laboratory of Chemical Engineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China;
2. Engineering Research Center of Functional Materials Intelligent Manufacturing of Zhejiang Province, ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou 311215, China;
3. Ningbo Research Institute, Zhejiang University, Ningbo 315100, China;
4. State Key Laboratory of Industrial Control Technology, College of Control Science and Engineering, Zhejiang University, Hangzhou 310027, China

Received:2023-08-23 Revised:2024-07-07 Accepted:2024-07-21 Online:2024-11-28 Published:2024-09-30
Contact: Zuwei Liao,E-mail:liaozw@zju.edu.cn
Supported by:
The financial support provided by the Project of the National Key Research and Development Program of China (2018YFA0704601), the National Natural Science Foundation of China (U22A20415, 22308314), the Natural Science Foundation of Zhejiang Province, China (LQ24B060001), and the “Pioneer” and “Leading Goose” Research and Development Program of Zhejiang, China (2022C01SA442617) are gratefully acknowledged.

摘要/Abstract

摘要： Gas-phase polyethylene (PE) processes are among the most important methods for PE production. A deeper understanding of the process characteristics and dynamic behavior, such as properties of PE and reactor stability, holds substantial interest for both academic researchers and industries. In this study, both steady-state and dynamic models for a gas-phase polyethylene process are established as a simulation platform, which can be used to study a variety of operation tasks for commercial solution polyethylene processes, such as new product development, process control and real-time optimization. The copolymerization kinetic parameters are fitted by industrial data. Additionally, a multi-reactor series model is developed to characterize the temperature distribution within the fluidized bed reactor. The accuracy in predicting melt index and density of the polymer, and the dynamic behavior of the developed models are verified by real plant data. Moreover, the dynamic simulation platform is applied to compare four practical control schemes for reactor temperature by a series of simulation experiments, since temperature control is important in industrial production. The results reveal that all four schemes effectively track the setpoint temperature. However, only the demineralized water temperature cascade control demonstrates excellent performance in handling disturbances from both the recycle gas subsystem and the heat exchange subsystem.

关键词: Gas-phase polyethylene process, Steady state, Dynamic modeling, Control

Abstract: Gas-phase polyethylene (PE) processes are among the most important methods for PE production. A deeper understanding of the process characteristics and dynamic behavior, such as properties of PE and reactor stability, holds substantial interest for both academic researchers and industries. In this study, both steady-state and dynamic models for a gas-phase polyethylene process are established as a simulation platform, which can be used to study a variety of operation tasks for commercial solution polyethylene processes, such as new product development, process control and real-time optimization. The copolymerization kinetic parameters are fitted by industrial data. Additionally, a multi-reactor series model is developed to characterize the temperature distribution within the fluidized bed reactor. The accuracy in predicting melt index and density of the polymer, and the dynamic behavior of the developed models are verified by real plant data. Moreover, the dynamic simulation platform is applied to compare four practical control schemes for reactor temperature by a series of simulation experiments, since temperature control is important in industrial production. The results reveal that all four schemes effectively track the setpoint temperature. However, only the demineralized water temperature cascade control demonstrates excellent performance in handling disturbances from both the recycle gas subsystem and the heat exchange subsystem.

Key words: Gas-phase polyethylene process, Steady state, Dynamic modeling, Control

Xiaodong Hong, Wanke Chen, Zuwei Liao, Xiaoqiang Fan, Jingyuan Sun, Yao Yang, Chunhui Zhao, Jingdai Wang, Yongrong Yang. Steady-state and dynamic simulation of gas phase polyethylene process[J]. 中国化学工程学报, 2024, 75(11): 110-120.

参考文献

[1] X.Q. Fan, J.Y. Sun, Y. Yang, J.D. Wang, Z.L. Huang, Z.W. Liao, G.D. Han, Y.R. Yang, L. Xie, H.Y. Su, Thermal-stability analysis of ethylene-polymerization fluidized-bed reactors under condensed-mode operation through a TPM-PBM integrated model, Ind. Eng. Chem. Res. 58 (22) (2019) 9486-9499.
[2] M.R. Abbasi, A. Shamiri, M.A. Hussain, A review on modeling and control of olefin polymerization in fluidized-bed reactors, Rev. Chem. Eng. 35 (3) (2019) 311-333.
[3] T.Y. Xie, K.B. McAuley, J.C.C. Hsu, D.W. Bacon, Gas phase ethylene polymerization: Production processes, polymer properties, and reactor modeling, Ind. Eng. Chem. Res. 33 (3) (1994) 449-479.
[4] X.Q. Fan, J.Y. Sun, J.D. Wang, Z.L. Huang, Z.W. Liao, G.D. Han, Y.R. Yang, L. Xie, H.Y. Su, Stability analysis of ethylene polymerization in a liquid-containing gas-solid fluidized bed reactor, Ind. Eng. Chem. Res. 57 (16) (2018) 5616-5629.
[5] W.H. Ray, Modelling of polymerization phenomena, Berichte Der Bunsengesellschaft Fur Physikalische Chemie, 90 (1986) 947-955.
[6] K.Y. Choi, W.H. Ray, The dynamic behavior of continuous stirred-bed reactors for the solid catalyzed gas phase polymerization of propylene, Chem. Eng. Sci. 43 (10) (1988) 2587-2604.
[7] A.S. Ibrehem, M.A. Hussain, N.M. Ghasem, Modified mathematical model for gas phase olefin polymerization in fluidized-bed catalytic reactor, Chem. Eng. J. 149 (1-3) (2009) 353-362.
[8] H.P. Cui, N. Mostoufi, J. Chaouki, Characterization of dynamic gas-solid distribution in fluidized beds, Chem. Eng. J. 79 (2) (2000) 133-143.
[9] F.A.N. Fernandes, L.M.F. Lona, Heterogeneous modeling for fluidized-bed polymerization reactor, Chem. Eng. Sci. 56 (3) (2001) 963-969.
[10] E.S. Sbaaei, M.M. Kamal, T.S. Ahmed, Mathematical versus commercial software modeling for ziegler-natta catalyzed gas-phase polymerization in fluidized-bed reactors: A comparative review and proposals for future developments, Powder Technol. 420 (2023) 118371.
[11] K.B. McAuley, J.F. MacGregor, A.E. Hamielec, A kinetic model for industrial gas-phase ethylene copolymerization, AlChE. J. 36 (6) (1990) 837-850.
[12] M. Alizadeh, N. Mostoufi, S. Pourmahdian, R. Sotudeh-Gharebagh, Modeling of fluidized bed reactor of ethylene polymerization, Chem. Eng. J. 97 (1) (2004) 27-35.
[13] R. Jafari, R. Sotudeh-Gharebagh, N. Mostoufi, Modular simulation of fluidized bed reactors (chem. eng. technol. 2004, 27, 123), Chem. Eng. Technol. 27 (3) (2004) 224.
[14] A. Kiashemshaki, N. Mostoufi, R. Sotudeh-Gharebagh, Two-phase modeling of a gas phase polyethylene fluidized bed reactor, Chem. Eng. Sci. 61 (12) (2006) 3997-4006.
[15] Y.F. Zhou, J.D. Wang, Y.R. Yang, W.Q. Wu, Modeling of the temperature profile in an ethylene polymerization fluidized-bed reactor in condensed-mode operation, Ind. Eng. Chem. Res. 52 (12) (2013) 4455-4464.
[16] H.H. Feng, G.X. Yang, H.L. Wang, X.P. Gu, L.F. Feng, C.L. Zhang, X. Chen, D.F. Wang, Y.X. Gao, Kinetic parameter estimation for linear low-density polyethylene gas-phase process from molecular weight distribution and short-chain branching distribution measurements, Ind. Eng. Chem. Res. 62 (6) (2023) 2548-2560.
[17] H.H. Feng, X. Chen, X.P. Gu, L.F. Feng, D.F. Wang, G.X. Yang, Y.X. Gao, C.L. Zhang, G.H. Hu, Modeling of the molecular weight distribution and short chain branching distribution of linear low-density polyethylene from a pilot scale gas phase polymerization process, Chem. Eng. Sci. 261 (2022) 117952.
[18] K.B. McAuley, D.A. MacDonald, P.J. McLellan, Effects of operating conditions on stability of gas-phase polyethylene reactors, AlChE. J. 41 (4) (1995) 868-879.
[19] X.Q. Fan, X.N. You, C.J. Ren, J.Y. Sun, J.D. Wang, Y.R. Yang, W.Q. Wu, Investigation of a dynamic operation mode of ethylene polymerization process with a liquid-containing fluidized bed, Chem. Eng. J. 471 (2023) 144584.
[20] N.P.G. Salau, G.A. Neumann, J.O. Trierweiler, A.R. Secchi, Dynamic behavior and control in an industrial fluidized-bed polymerization reactor, Ind. Eng. Chem. Res. 47 (16) (2008) 6058-6069.
[21] W.L. Luyben, Snowball effects in reactor/separator processes with recycle, Ind. Eng. Chem. Res. 33 (2) (1994) 299-305.
[22] R.F. Alves, T.F.L. McKenna, Modelling of condensed mode cooling during the polymerization of ethylene in fluidized bed reactors, Ind. Eng. Chem. Res. 60 (32) (2021) 11977-11994.
[23] R.H. Lacombe, I.C. Sanchez, Statistical thermodynamics of fluid mixtures, J. Phys. Chem. 80 (23) (1976) 2568-2580.
[24] J. Gross, G. Sadowski, Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules, Ind. Eng. Chem. Res. 40 (4) (2001) 1244-1260.
[25] N.P. Khare, K.C. Seavey, Y.A. Liu, S. Ramanathan, S. Lingard, C.C. Chen, Steady-state and dynamic modeling of commercial slurry high-density polyethylene (HDPE) processes, Ind. Eng. Chem. Res. 41 (23) (2002) 5601-5618.
[26] Z.H. Luo, P.L. Su, D.P. Shi, Z.W. Zheng, Steady-state and dynamic modeling of commercial bulk polypropylene process of Hypol technology, Chem. Eng. J. 149 (1-3) (2009) 370-382.
[27] Z.W. Zheng, D.P. Shi, P.L. Su, Z.H. Luo, X.J. Li, Steady-state and dynamic modeling of the basell multireactor olefin polymerization process, Ind. Eng. Chem. Res. 50 (1) (2011) 322-331.
[28] S.X. Ruan, X.B. Zhang, Z.H. Luo, Steady-state and dynamic modeling of the solution polyethylene process based on rigorous PC-SAFT equation of state, Ind. Eng. Chem. Res. 61 (19) (2022) 6753-6762.
[29] N.P. Khare, B. Lucas, K.C. Seavey, Y.A. Liu, A. Sirohi, S. Ramanathan, S. Lingard, Y.H. Song, C.C. Chen, Steady-state and dynamic modeling of gas-phase polypropylene processes using stirred-bed reactors, Ind. Eng. Chem. Res. 43 (4) (2004) 884-900.
[30] A. Shamiria, M.A. Hussaina, F. Mjallic, N. Mostoufid, Comparative simulation study of gas-phase propylene polymerization in fluidized bed reactors using aspen polymers and two phase models, Chem. Ind. Chem. Eng. Q. 19 (1) (2013) 13-24.
[31] W.L. Luyben, Heat-exchanger Bypass control, Ind. Eng. Chem. Res. 50 (2011) 965-973.
[32] N. Soave, M. Barolo, On the effectiveness of heat-exchanger bypass control, Processes 9 (2) (2021) 244.
[33] R.F. Alves, T. Casalini, G. Storti, T.F.L. McKenna, Gas-phase polyethylene reactors-A critical review of modeling approaches, Macromol. React. Eng. 15 (3) (2021) 2000059.
[34] I.C. Sanchez, R.H. Lacombe, Statistical thermodynamics of polymer solutions, Macromolecules 11 (6) (1978) 1145-1156.
[35] P.A. Rodgers, I.C. Sanchez, Improvement to the lattice-fluid prediction of gas solubilities in polymer liquids, J. Polym. Sci. Part B Polym. Phys. 31 (3) (1993) 273-277.
[36] K.B. McAuley, J.P. Talbot, T.J. Harris, A comparison of two-phase and well-mixed models for fluidized-bed polyethylene reactors, Chem. Eng. Sci. 49 (13) (1994) 2035-2045.
[37] A. Lucas, J. Arnaldos, J. Casal, L. Puigjaner, Improved equation for the calculation of minimum fluidization velocity, Ind. Eng. Chem. Proc. Des. Dev. 25 (2) (1986) 426-429.
[38] E. Mastan, S.P. Zhu, Method of moments: A versatile tool for deterministic modeling of polymerization kinetics, Eur. Polym. J. 68 (2015) 139-160.
[39] N.V.S.N. Murthy Konda, G.P. Rangaiah, P.R. Krishnaswamy, Plantwide control of industrial processes: An integrated framework of simulation and heuristics, Ind. Eng. Chem. Res. 44 (22) (2005) 8300-8313.
[40] S. Vasudevan, G.P. Rangaiah, Criteria for performance assessment of plantwide control systems, Ind. Eng. Chem. Res. 49 (19) (2010) 9209-9221.

Steady-state and dynamic simulation of gas phase polyethylene process

Steady-state and dynamic simulation of gas phase polyethylene process

PDF (PC)

可视化

摘要/Abstract

引用本文

使用本文

参考文献

相关文章 15

编辑推荐

Metrics

本文评价

[1]	Sixing Chen, Xinmiao Jin, Yuyang Wu, Taotao Ji, Fei Wang, Yi Liu. Three-dimensionally oriented organization of hexagonal MIL-96 microplates toward superior film microstructure[J]. 中国化学工程学报, 2024, 72(8): 69-73.
[2]	Zhenguang Liu, Zexiang Ding, Yifeng Cao, Baojian Liu, Qiwei Yang, Zhiguo Zhang, Qilong Ren, Zongbi Bao. Temperature-dependent solubility of Rebaudioside A in methanol/ethanol and ethyl acetate mixtures: Experimental measurements and thermodynamic modeling[J]. 中国化学工程学报, 2024, 72(8): 164-176.
[3]	Baowei Niu, Yanjie Yi, Yuwen Wei, Fuzhen Zhang, Lili Wang, Li Xia, Xiaoyan Sun, Shuguang Xiang. Phase equilibrium data prediction and process optimizationin butadiene extraction process[J]. 中国化学工程学报, 2024, 71(7): 1-12.
[4]	Chunliang Liu, Jianhui Zhong, Ranran Wei, Jiuxu Ruan, Kaicong Wang, Zhaoyou Zhu, Yinglong Wang, Limei Zhong. Process design and intensification of multicomponent azeotropes special distillation separation via molecular simulation and system optimization[J]. 中国化学工程学报, 2024, 71(7): 24-44.
[5]	Shida Gao, Cuimei Bo, Chao Jiang, Quanling Zhang, Genke Yang, Jian Chu. Hybrid modeling for carbon monoxide gas-phase catalytic coupling to synthesize dimethyl oxalate process[J]. 中国化学工程学报, 2024, 70(6): 234-250.
[6]	Xiaoxiao Dong, Zhuohong He, Xu Yan, Dong Gao, Jingyu Jiao, Yan Sun, Haibin Wang, Haibin Qu. Real-time model correction using Kalman filter for Raman-controlled cell culture processes[J]. 中国化学工程学报, 2024, 70(6): 251-260.
[7]	Wencai Ye, Yulu Li, Yonggang Dong, Lin Yang, Yun Yi, Jianxin Cao. Deep decalcification of factory-provided freezing acidolysis solution to achieve α-high-strength gypsum[J]. 中国化学工程学报, 2024, 69(5): 143-151.
[8]	Lianjie Wu, Kun Lu, Qirui Li, Lianghua Xu, Yiqing Luo, Xigang Yuan. Energy-saving design and optimization of pressure-swing-assisted ternary heterogenous azeotropic distillations[J]. 中国化学工程学报, 2024, 68(4): 1-7.
[9]	Wei Guo, Yan Zhang, Xiaxin Lei, Shuang Wang. An effective strategy of constructing multi-metallic oxides of ZnO/CoNiO₂/CoO/C microflowers for improved supercapacitive performance[J]. 中国化学工程学报, 2024, 67(3): 1-8.
[10]	Shan Liu, Wenqi Zhong, Li Sun, Xi Chen, Rafal Madonski. Uncertainty and disturbance estimator-based model predictive control for wet flue gas desulphurization system[J]. 中国化学工程学报, 2024, 67(3): 182-194.
[11]	Jinhuang Cai, Shijie Hao, Yun Zhang, Xiaomin Wu, Zhenguo Li, Huawang Zhao. Co₃O₄ as an efficient passive NO_x adsorber for emission control during cold-start of diesel engines[J]. 中国化学工程学报, 2024, 66(2): 1-7.
[12]	Kang He, Liangyu Zhu, Yanmei Wang. Dual-functional poly(2-methyl-2-oxazoline)/poly(2-(dimethylamine)ethyl methacrylate) mixed brushes with switchable protein adsorption and antibacterial properties[J]. 中国化学工程学报, 2024, 66(2): 19-30.
[13]	Yu Fan, Liang-Zhi Qiao, Shan-Jing Yao, Dong-Qiang Lin. Model-based risk assessment on dynamic control of twin-column continuous capture under feedstock variations[J]. 中国化学工程学报, 2024, 74(10): 22-30.
[14]	Mengjie Liu, Weiqun Gao, Kexin Yan, Yudong Li, Bihong Li, Jiating Zhang, Weizhen Sun, Ling Zhao. A separation column for liquid mixture based on phase transform: Experiment and simulation[J]. 中国化学工程学报, 2024, 74(10): 144-153.
[15]	Yixuan Ma, Cong Yu, Lifeng Yang, Rimin You, Yawen Bo, Qihan Gong, Huabin Xing, Xili Cui. Boosting kinetic separation of ethylene and ethane on microporous materials via crystal size control[J]. 中国化学工程学报, 2024, 65(1): 85-91.