Asia-Pacific Journal of Chemical Engineering

RESEARCH ARTICLE

CFD simulation study of thermal runaway inhibition for styrene polymerization by jet mixing

Corresponding Author

Jiajia Jiang

[email protected]

orcid.org/0000-0002-6796-6913

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

Correspondence

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816, China.

Email: [email protected]

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Yating Chen,

Yating Chen

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

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Rui Zhou,

Rui Zhou

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

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Guanrong Mao,

Guanrong Mao

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

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Jiajia Jiang,

Corresponding Author

Jiajia Jiang

[email protected]

orcid.org/0000-0002-6796-6913

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

Correspondence

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816, China.

Email: [email protected]

Search for more papers by this author

Yating Chen,

Yating Chen

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

Search for more papers by this author

Rui Zhou,

Rui Zhou

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

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Guanrong Mao,

Guanrong Mao

Jiangsu Key Laboratory of Hazardous Chemicals Safety and Control, College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 211816 China

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First published: 29 July 2024

https://doi.org/10.1002/apj.3129

FUNDING INFORMATION: National Natural Science Foundation of China, Grant/Award Numbers: 62333010; 51804167; Major Basic Research Project of the Natural Science Foundation of the Jiangsu Higher Education Institutions, Grant/Award Number: 21KJA620001.

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Abstract

Thermal runaway of polymerization reactions causes serious accidents. To study the emergency inhibition process of thermal runaway, a styrene thermal polymerization reaction model is established by using computational fluid dynamics (CFD) combined with a thermodynamic model. The DIV critical criterion is used to determine the critical point of the runaway reaction. The inhibitory effect of injection diameter, injection rate, and injection angle of inhibitor (ethylbenzene) on the styrene polymerization reaction is studied comprehensively. The injection mixing trajectory of the inhibitor is visualized by using the Lagrangian particle tracking method. The injection parameters are optimized to suppress thermal runaway by the response surface method. The result shows that a combination of injection parameters with 2 mm injection port diameter, 5 m/s injection rate, and 90° injection angle can improve the suppression effect of thermal runaway for the established model in this paper. This work provides a theoretical basis for preventing thermal runaway for polymerization reactions.

CONFLICT OF INTEREST STATEMENT

The authors report that there are no competing interests to declare.

REFERENCES

1Balasubramanian SG, Louvar JF. Study of major accidents and lessons learned. Process Saf Prog. 2002; 21(3): 237-244. doi:10.1002/prs.680210309
10.1002/prs.680210309
Web of Science® Google Scholar
2Kidam K, Hurme M. Analysis of equipment failures as contributors to chemical process accidents. Process Saf Environ. 2013; 91(1-2): 61-78. doi:10.1016/j.psep.2012.02.001
10.1016/j.psep.2012.02.001
CAS Google Scholar
3Dakkoune A, Vernières-Hassimi L, Leveneur S, Lefebvre D, Estel L. Analysis of thermal runaway events in French chemical industry. J Loss Prevent Proc. 2019; 62:103938. doi:10.1016/j.jlp.2019.103938
10.1016/j.jlp.2019.103938
CAS Web of Science® Google Scholar
4Copelli S, Barozzi M, Petrucci N, Casson MV. Modeling and process optimization of a full-scale emulsion polymerization reactor. Chem Eng J. 2019; 358: 1410-1420. doi:10.1016/j.cej.2018.10.055
10.1016/j.cej.2018.10.055
CAS Web of Science® Google Scholar
5Saada R, Patel D, Saha B. Causes and consequences of thermal runaway incidents—will they ever be avoided? Process Saf Environ. 2015; 97: 109-115. doi:10.1016/j.psep.2015.02.005
10.1016/j.psep.2015.02.005
CAS Web of Science® Google Scholar
6Milewska A, Rudniak L, Molga E. CFD modelling and divergence criterion for safety of chemical reactors. Comput Aided Chem Eng. 2005; 20: 259-264. doi:10.1016/S1570-7946(05)80165-8
10.1016/S1570-7946(05)80165-8
Google Scholar
7Milewska A, Molga EJ. CFD simulation of accidents in industrial batch stirred tank reactors. Chem Eng Sci. 2007; 62(18-20): 4920-4925. doi:10.1016/j.ces.2006.12.036
10.1016/j.ces.2006.12.036
CAS Google Scholar
8Milewska A, Molga E. Safety aspects in modelling and operating of batch and semibatch stirred tank chemical reactors. Chem Eng Res des. 2010; 88(3): 304-319. doi:10.1016/j.cherd.2009.10.014
10.1016/j.cherd.2009.10.014
CAS Google Scholar
9Cui J, Ni L, Jiang J, Pan Y, Wu H, Chen Q. Computational fluid dynamics simulation of thermal runaway reaction of styrene polymerization. Org Process Res Dev. 2019; 23(3): 389-396. doi:10.1021/acs.oprd.9b00005
10.1021/acs.oprd.9b00005
CAS Web of Science® Google Scholar
10Jiang J, Wu H, Ni L, Zou M. CFD simulation to study batch reactor thermal runaway behavior based on esterification reaction. Process Saf Environ. 2018; 120: 87-96. doi:10.1016/j.psep.2018.08.029
10.1016/j.psep.2018.08.029
CAS Google Scholar
11Jiang J, Yang J, Jiang J, Pan Y, Yu Y, Zhou D. Numerical simulation of thermal runaway and inhibition process on the thermal polymerization of styrene. J Loss Prevent Proc. 2016; 44: 465-473. doi:10.1016/j.jlp.2016.10.017
10.1016/j.jlp.2016.10.017
CAS Web of Science® Google Scholar
12Dakshinamoorthy D, Khopkar AR, Louvar JF, Ranade VV. CFD simulations to study shortstopping runaway reactions in a stirred vessel. J Loss Prevent Proc. 2004; 17(5): 355-364. doi:10.1016/j.jlp.2004.06.007
10.1016/j.jlp.2004.06.007
Web of Science® Google Scholar
13Dakshinamoorthy D, Khopkar AR, Louvar JF, Ranade VV. CFD simulation of shortstopping runaway reactions in vessels agitated with impellers and jets. J Loss Prevent Proc. 2006; 19(6): 570-581. doi:10.1016/j.jlp.2006.02.003
10.1016/j.jlp.2006.02.003
Google Scholar
14Ni L, Cui J, Jiang J, et al. Runaway inhibition of styrene polymerization: a simulation study by chaos divergence theory. Process Saf Environ. 2020; 135: 294-300. doi:10.1016/j.psep.2020.01.015
10.1016/j.psep.2020.01.015
CAS Web of Science® Google Scholar
15Liu G, Wilhite BA. Development of compartment model for inhibition of thermal runaway in free-radical polymerization. Chem Eng Sci. 2022; 258:117758. doi:10.1016/j.ces.2022.117758
10.1016/j.ces.2022.117758
CAS Web of Science® Google Scholar
16Snee TJ, Cusco L. Pilot-scale evaluation of the inhibition of exothermic runaway. Process Saf Environ. 2005; 83(2): 135-144. doi:10.1205/psep.04240
10.1205/psep.04240
CAS Google Scholar
17Torré J, Fletcher DF, Lasuye T, Xuereb C. An experimental and CFD study of liquid jet injection into a partially baffled mixing vessel: a contribution to process safety by improving the quenching of runaway reactions. Chem Eng Sci. 2008; 63(4): 924-942. doi:10.1016/j.ces.2007.10.031
10.1016/j.ces.2007.10.031
CAS Google Scholar
18Torré J, Fletcher DF, Touche I, Lasuye T, Xuereb C. Jet injection studies for partially baffled mixing reactors: a general correlation for the jet trajectory and jet penetration depth. Chem Eng Res des. 2008; 86(10): 1117-1127. doi:10.1016/j.cherd.2008.05.005
10.1016/j.cherd.2008.05.005
CAS Google Scholar
19Zheng P, Zhang H, Zhang Z, Salman W, Abdelrahman M. Parameter optimization method of contra-rotating vertical axis wind turbine: based on numerical simulation and response surface. J Clean Prod. 2024; 435:140475. doi:10.1016/j.jclepro.2023.140475
10.1016/j.jclepro.2023.140475
Google Scholar
20Yang H, Wang H. Experimental study of particle deposition on a solar photovoltaic panel based on the response surface method. Environ Sci Pollut Res. 2023; 30(29): 73974-73988. doi:10.1007/s11356-023-27652-4
10.1007/s11356-023-27652-4
PubMed Google Scholar
21Ochieng A, Onyango M, Kiriamiti K. Experimental measurement and computational fluid dynamics simulation of mixing in a stirred tank: a review. S Afr J Sci. 2009; 105(11/12): 421-426. doi:10.4102/sajs.v105i11/12.139
10.4102/sajs.v105i11/12.139
Web of Science® Google Scholar
22 Fluent. ANSYS Fluent User's Guide. Ansys Inc.; 2017.
Google Scholar
23Rudniak L, Machniewski PM, Milewska A, Molga E. CFD modelling of stirred tank chemical reactors: homogeneous and heterogeneous reaction systems. Chem Eng Sci. 2004; 59(22-23): 5233-5239. doi:10.1016/j.ces.2004.09.014
10.1016/j.ces.2004.09.014
CAS Web of Science® Google Scholar
24Gao J, Penlidis A. A comprehensive simulator/database package for bulk/solution free-radical terpolymerizations. 2000; 201(11): 1176-1184. doi:10.1002/1521-3935(20000701)201:11<1176::aid-macp1176>3.0.co;2-w
Google Scholar
25Dhib R, Gao J, Penlidis A. Simulation of free radical bulk/solution homopoly merization using mono-and bi-functional initiators. Polym React Eng. 2000; 8(4): 299-464. doi:10.1080/10543414.2000.10744557
10.1080/10543414.2000.10744557
CAS Web of Science® Google Scholar
26Kim DM, Nauman EB. Solution viscosity of polystyrene at conditions applicable to commercial manufacturing processes. J Chem Eng Data. 1992; 37(4): 427-432. doi:10.1021/je00008a013
10.1021/je00008a013
CAS Google Scholar
27Bosch J, Kerr DC, Snee TJ, Strozzi F, Zaldívar JM. Runaway detection in a pilot-plant facility. Ind Eng Chem Res. 2004; 43(22): 7019-7024. doi:10.1021/ie049540l
10.1021/ie049540l
CAS Web of Science® Google Scholar
28Strozzi F, Zaldívar JM, Kronberg AE, Westerterp KR. On-line runaway detection in batch reactors using chaos theory techniques. AIChE J. 1999; 45(11): 2429-2443. doi:10.1002/aic.690451116
10.1002/aic.690451116
CAS Web of Science® Google Scholar
29Li Y, Xiao G, Li F, et al. Response surface analysis (RSA) optimization of temperature-resistant gel foam fabrication and performance evaluation. Colloids Surf a Physicochem Eng Asp. 2022; 655:130260. doi:10.1016/j.colsurfa.2022.130260
10.1016/j.colsurfa.2022.130260
CAS Google Scholar
30Zora N, Rigaux T, Buvat J-C, Lefebvre D, Leveneur S. Influence assessment of inlet parameters on thermal risk and productivity: application to the epoxidation of vegetable oils. J Loss Prevent Proc. 2021; 72:104551. doi:10.1016/j.jlp.2021.104551
10.1016/j.jlp.2021.104551
CAS Google Scholar
31Saedpanah E, Lahonian M, Malek Abad MZ. Optimization of multi-source renewable energy air conditioning systems using a combination of transient simulation, response surface method, and 3E lifespan analysis. Energy. 2003; 272:127200. doi:10.1016/j.energy.2023.127200
10.1016/j.energy.2023.127200
Google Scholar
32He J, Zhu L, Liu C, Bai Q. Optimization of the oil agglomeration for high-ash content coal slime based on design and analysis of response surface methodology (RSM). Fuel. 2019; 254:115560. doi:10.1016/j.fuel.2019.05.143
10.1016/j.fuel.2019.05.143
CAS Web of Science® Google Scholar
33Kumar S, Venugopal R. Performance analysis of jig for coal cleaning using 3D response surface methodology. Int J min Sci Technol. 2017; 27(2): 333-337. doi:10.1016/j.ijmst.2017.01.002
10.1016/j.ijmst.2017.01.002
Google Scholar
34Hungenberg K, Nieken U, Zöllner K, Gao J, Szekely A. Modeling safety aspects of styrene polymerization processes. Ind Eng Chem Res. 2005; 44(8): 2518-2524. doi:10.1021/ie0495372
10.1021/ie0495372
CAS Google Scholar

Volume19, Issue6

November/December 2024

e3129

CFD simulation study of thermal runaway inhibition for styrene polymerization by jet mixing

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CFD simulation study of thermal runaway inhibition for styrene polymerization by jet mixing

Abstract

CONFLICT OF INTEREST STATEMENT

REFERENCES

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