A coupled CFD simulation approach for investigating the pyrolysis process in industrial naphtha thermal cracking furnaces

doi:10.1016/j.cjche.2021.03.028

中国化学工程学报 ›› 2022, Vol. 44 ›› Issue (4): 528-542.DOI: 10.1016/j.cjche.2021.03.028

• • 上一篇

A coupled CFD simulation approach for investigating the pyrolysis process in industrial naphtha thermal cracking furnaces

Mohsen Rezaeimanesh¹, Ali Asghar Ghoreyshi¹, S.M. Peyghambarzadeh², Seyed Hassan Hashemabadi³

1 Chemical Engineering Department, Babol Noshirvani University of Technology, Shariati Ave., 47148-71167 Babol, Iran;
2 Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran;
3 Computational Fluid Dynamics (CFD) Research Laboratory, School of Chemical, Petroleum and Gas Engineering, Iran University of Science and Technology (IUST), Tehran, Iran

收稿日期:2020-09-18 修回日期:2021-02-21 出版日期:2022-04-28 发布日期:2022-06-18
通讯作者: Ali Asghar Ghoreyshi,E-mail:aa_ghoreyshi@nit.ac.ir
基金资助:
The authors greatly acknowledge the support of Bandar-e-Imam petrochemical company (BIPC), Iran, which help the authors provide the industrial data and also their technical support to this research.

A coupled CFD simulation approach for investigating the pyrolysis process in industrial naphtha thermal cracking furnaces

Mohsen Rezaeimanesh¹, Ali Asghar Ghoreyshi¹, S.M. Peyghambarzadeh², Seyed Hassan Hashemabadi³

1 Chemical Engineering Department, Babol Noshirvani University of Technology, Shariati Ave., 47148-71167 Babol, Iran;
2 Department of Chemical Engineering, Mahshahr Branch, Islamic Azad University, Mahshahr, Iran;
3 Computational Fluid Dynamics (CFD) Research Laboratory, School of Chemical, Petroleum and Gas Engineering, Iran University of Science and Technology (IUST), Tehran, Iran

Received:2020-09-18 Revised:2021-02-21 Online:2022-04-28 Published:2022-06-18
Contact: Ali Asghar Ghoreyshi,E-mail:aa_ghoreyshi@nit.ac.ir
Supported by:
The authors greatly acknowledge the support of Bandar-e-Imam petrochemical company (BIPC), Iran, which help the authors provide the industrial data and also their technical support to this research.

摘要/Abstract

摘要： In the steam thermal cracking of naphtha, the hydrocarbon stream flows inside tubular reactors and is exposed to flames of a series of burners in the firebox. In this paper, a full three-dimensional computational fluid dynamics (CFD) model was developed to investigate the process variables in the firebox and reactor coil of an industrial naphtha furnace. This comprehensive CFD model consists of a standard k-ε turbulence model accompanied by a molecular kinetic reaction for cracking, detailed combustion model, and radiative properties. In order to improve the steam cracking performance, the model is solved using a proposed iterative algorithm. With respect to temperature, product yield and specially propylene-to-ethylene ratio (P/E), the simulation results agreed well with industrial data obtained from a mega olefin plant of a petrochemical complex. The deviation of P/E results from industrial data was less than 2%. The obtained velocity, temperature, and concentration profiles were used to investigate the residence time, coking rate, coke concentration, and some other findings. The coke concentration at coil exit was 1.9 × 10^-3 %(mass) and the residence time is calculated to be 0.29 s. The results can be used as a scientific guide for process engineers.

关键词: Naphtha thermal cracking, CFD modeling, Systems engineering, Residence time, Product yield

Abstract: In the steam thermal cracking of naphtha, the hydrocarbon stream flows inside tubular reactors and is exposed to flames of a series of burners in the firebox. In this paper, a full three-dimensional computational fluid dynamics (CFD) model was developed to investigate the process variables in the firebox and reactor coil of an industrial naphtha furnace. This comprehensive CFD model consists of a standard k-ε turbulence model accompanied by a molecular kinetic reaction for cracking, detailed combustion model, and radiative properties. In order to improve the steam cracking performance, the model is solved using a proposed iterative algorithm. With respect to temperature, product yield and specially propylene-to-ethylene ratio (P/E), the simulation results agreed well with industrial data obtained from a mega olefin plant of a petrochemical complex. The deviation of P/E results from industrial data was less than 2%. The obtained velocity, temperature, and concentration profiles were used to investigate the residence time, coking rate, coke concentration, and some other findings. The coke concentration at coil exit was 1.9 × 10^-3 %(mass) and the residence time is calculated to be 0.29 s. The results can be used as a scientific guide for process engineers.

Key words: Naphtha thermal cracking, CFD modeling, Systems engineering, Residence time, Product yield

Mohsen Rezaeimanesh, Ali Asghar Ghoreyshi, S.M. Peyghambarzadeh, Seyed Hassan Hashemabadi. A coupled CFD simulation approach for investigating the pyrolysis process in industrial naphtha thermal cracking furnaces[J]. 中国化学工程学报, 2022, 44(4): 528-542.

参考文献

[1] J. Towfighi, A. Niaei, R. Karimzadeh, G. Saedi, Systematics and modelling representations of LPG thermal cracking for olefin production, Korean J. Chem. Eng. 23 (1) (2006) 8-16
[2] G.H. Hu, H.G. Wang, F. Qian, K.M. van Geem, C.M. Schietekat, G.B. Marin, Coupled simulation of an industrial naphtha cracking furnace equipped with long-flame and radiation burners, Comput. Chem. Eng. 38 (2012) 24-34
[3] K.M. Sundaram, G.F. Froment, Modeling of thermal cracking kinetics-I:Thermal cracking of ethane, propane and their mixtures, Chem. Eng. Sci. 32 (6) (1977) 601-608
[4] K.M. Sundaram and G.F. Froment, Modeling of thermal cracking kinetics-II:Cracking of iso-butane, of n-butane and of mixtures ethane-propane-n-butane, Chem. Eng. Sci. 32(6) (1977) 609617
[5] P. Kumar, D. Kunzru, Modeling of naphtha pyrolysis, Ind. Eng. Chem. Process. Des. Dev. 24 (3) (1985) 774-782
[6] S.Z. Abghari, J.T. Darian, R. Karimzadeh, M.R. Omidkhah, Determination of yield distribution in olefin production by thermal cracking of atmospheric gasoil, Korean J. Chem. Eng. 25 (4) (2008) 681-692
[7] M. Sedighi, K. Keyvanloo, J. Towfighi, Experimental study and optimization of heavy liquid hydrocarbon thermal cracking to light olefins by response surface methodology, Korean J. Chem. Eng. 27 (4) (2010) 1170-1176
[8] G.J. Heynderickx, A.J.M. Oprins, G.B. Marin, E. Dick, Three-dimensional flow patterns in cracking furnaces with long-flame burners, AIChE J. 47 (2) (2001) 388-400
[9] A.J.M. Oprins, G.J. Heynderickx, G.B. Marin, Three-dimensional asymmetric flow and temperature fields in cracking furnaces, Ind. Eng. Chem. Res. 40 (23) (2001) 5087-5094
[10] R.K. Garg, V.V. Krishnan, V.K. Srivastava, Prediction of concentration and temperature profiles for non-isothermal ethane cracking in a pipe reactor, Korean J. Chem. Eng. 23 (4) (2006) 531-539
[11] N. Zhang, T. Qiu, B.Z. Chen, CFD simulation of propane cracking tube using detailed radical kinetic mechanism, Chin. J. Chem. Eng. 21 (12) (2013) 1319-1331
[12] G.H. Hu, C.M. Schietekat, Y. Zhang, F. Qian, G. Heynderickx, K.M. van Geem, G.B. Marin, Impact of radiation models in coupled simulations of steam cracking furnaces and reactors, Ind. Eng. Chem. Res. 54 (9) (2015) 2453-2465
[13] Z. Fang, T. Qiu, W.G. Zhou, Coupled simulation of recirculation zonal firebox model and detailed kinetic reactor model in an industrial ethylene cracking furnace, Chin. J. Chem. Eng. 25 (8) (2017) 1091-1100
[14] X. Lan, J. Gao, C. Xu, H. Zhang, Numerical simulation of transfer and reaction processes in ethylene furnaces, Chem. Eng. Res. Des. 85 (12) (2007) 1565-1579
[15] G.H. Hu, H.G. Wang, F. Qian, Y. Zhang, J.L. Li, K.M. van Geem, G.B. Marin, Comprehensive CFD simulation of product yields and coking rates for a floor- and wall-fired naphtha cracking furnace, Ind. Eng. Chem. Res. 50 (24) (2011) 13672-13685
[16] J.J. De Saegher, T. Detemmerman, and G.F. Froment, Three-dimensional simulation of high-severity internally finned cracking coils for olefins production, Revue de I'Institut Francais du Petrole. 51(2) (1996) 245-260
[17] T. Detemmerman, G.F. Froment, Three dimensional coupled simulation of furnaces and reactor tubes for the thermal cracking of hydrocarbons, Rev. Inst. Fr. Pét. 53 (2) (1998) 181-194
[18] H.C. Hottel, A.F. Sarofim, Radiative Transfer, McGraw-Hill, New York,USA,1967
[19] G.D. Stefanidis, B. Merci, G.J. Heynderickx, G.B. Marin, CFD simulations of steam cracking furnaces using detailed combustion mechanisms, Comput. Chem. Eng. 30 (4) (2006) 635-649
[20] W.J. Zhu, X.W. Liu, X. Hou, J.Y. Hu, Z.H. Diao, Application of machine learning to process simulation of n-pentane cracking to produce ethylene and propene, Chin. J. Chem. Eng. 28 (7) (2020) 1832-1839
[21] A. Habibi, B. Merci, G.J. Heynderickx, Impact of radiation models in CFD simulations of steam cracking furnaces, Comput. Chem. Eng. 31 (11) (2007) 1389-1406
[22] Y. Zhang, F. Qian, Y. Zhang, C.M. Schietekat, K.M. van Geem, A. Guy, G.B. Marin, Impact of flue gas radiative properties and burner geometry in furnace simulations, AIChE J. 61 (3) (2015) 936-954
[23] P. Kumar, D. Kunzru, Kinetics of coke deposition in naphtha pyrolysis, Can. J. Chem. Eng. 63 (4) (1985) 598-604
[24] P.M. Plehiers, G.C. Reyniers, G.F. Froment, Simulation of the Run length of an ethane cracking furnace, Ind. Eng. Chem. Res. 29 (4) (1990) 636-641
[25] G.C. Reyniers, G.F. Froment, F.D. Kopinke, G. Zimmermann, Coke formation in the thermal cracking of hydrocarbons. 4. modeling of coke formation in naphtha cracking, Ind. Eng. Chem. Res. 33 (11) (1994) 2584-2590
[26] B.P. Ennis, H.B. Boyd, and R. Orriss, Olefin manufacture via millisecond pyrolysis, Chemtech. 5(11) (1975) 693-699
[27] A. Fahiminezhad, S.M. Peyghambarzadeh, and M. Rezaeimanesh, Numerical modelling and industrial verification of ethylene dichloride cracking furnace, J. Chem. Petrol. Eng. 54(2) (2020) 165-185
[28] M. Bösenhofer, E.M. Wartha, C. Jordan, M. Harasek, The eddy dissipation concept-analysis of different fine structure treatments for classical combustion, Energies 11 (7) (2018) 1902
[29] C.K. Westbrook, F.L. Dryer, Chemical kinetic modeling of hydrocarbon combustion, Prog. Energy Combust. Sci. 10 (1) (1984) 1-57
[30] F.L. Dryer, I. Glassman, High-temperature oxidation of CO and CH₄, Symp. Int. Combust. 14 (1) (1973) 987-1003
[31] S.B. Pope, Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combust. Theory Model. 1 (1) (1997) 41-63
[32] A. Kumar, S. Mazumder, Adaptation and application of the In Situ Adaptive Tabulation (ISAT) procedure to reacting flow calculations with complex surface chemistry, Comput. Chem. Eng. 35 (7) (2011) 1317-1327
[33] M.F. Modest, Radiative Heat Transfer, 3rd ed. Academic Press, Salt Lake City,USA,2013
[34] B.F. Yuan, J.L. Li, W.L. Du, F. Qian, Study on co-cracking performance of different hydrocarbon mixture in a steam pyrolysis furnace, Chin. J. Chem. Eng. (2016) 24(9)1252-1262
[35] R.C. Reid, J.M. Prausnitz, and B.R. Poling, Properties of Gases and Liquids, 5th ed., McGraw-Hill,, New York,USA 2001
[36] J. Gmehling, M. Kleiber, B. Kolbe, J. Rarey, Enthalpy of reaction and chemical equilibria. Chemical Thermodynamics for Process Simulation. Weinheim, Germany:Wiley-VCH Verlag GmbH & Co. KGaA, 2019:505-547.
[37] D. de Manca, G. Buzzi-Ferraris, A. Cuoci, A. Frassoldati, The solution of very large non-linear algebraic systems, Comput. Chem. Eng. 33 (10) (2009) 1727-1734
[38] S. Seifzadeh Haghighi, M.R. Rahimpour, S. Raeissi, O. Dehghani, Investigation of ethylene production in naphtha thermal cracking plant in presence of steam and carbon dioxide, Chem. Eng. J. 228 (2013) 1158-1167
[39] K. Barazandeh, O. Dehghani, M. Hamidi, E. Aryafard, M.R. Rahimpour, Investigation of coil outlet temperature effect on the performance of naphtha cracking furnace, Chem. Eng. Res. Des. 94 (2015) 307-316
[40] K.M. Sundaram, P.S. van Damme, G.F. Froment, Coke deposition in the thermal cracking of ethane, AIChE J. 27 (6) (1981) 946-951
[41] H. Versteeg, An Introduction to Computational Fluid Dynamics the Finite Volume Method, 2nd edition, Pearson Education,, New York,USA 2007
[42] N. Rahimi, R. Karimzadeh, S.M. Jazayeri, K.D. Nia, An empirical investigation of the influence of sulfur additives on the catalytic rate of coke deposition and CO formation in the steam cracking of LPG over Incoloy 600 and stainless steel, Chem. Eng. J. 238 (2014) 210-218
[43] J.D. Wang, M.F. Reyniers, G.B. Marin, Influence of dimethyl disulfide on coke formation during steam cracking of hydrocarbons, Ind. Eng. Chem. Res. 46 (12) (2007) 4134-4148

A coupled CFD simulation approach for investigating the pyrolysis process in industrial naphtha thermal cracking furnaces

A coupled CFD simulation approach for investigating the pyrolysis process in industrial naphtha thermal cracking furnaces

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]	Fangyuan Ma, Cheng Ji, Jingde Wang, Wei Sun. Early identification of process deviation based on convolutional neural network[J]. 中国化学工程学报, 2023, 56(4): 104-118.
[2]	Shen Wang, Xiaokang Pei, Yong Luo, Guangwen Chu, Haikui Zou, Baochang Sun. Preparation of lithium carbonate by microwave assisted pyrolysis[J]. 中国化学工程学报, 2022, 52(12): 146-153.
[3]	Jie Ju, Xianjian Duan, Bismark Sarkodie, Yanjie Hu, Hao Jiang, Chunzhong Li. Numerical simulation of flow field and residence time of nanoparticles in a 1000-ton industrial multi-jet combustion reactor[J]. 中国化学工程学报, 2022, 51(11): 86-99.
[4]	Zhiquan Wang, Liang Wang, Zhihong Yuan, Bingzhen Chen. Data-driven optimal operation of the industrial methanol to olefin process based on relevance vector machine[J]. 中国化学工程学报, 2021, 34(6): 106-115.
[5]	Minbo Yang, Xiao Feng, Liang Zhao. Coupling pinch analysis and rigorous process simulation for hydrogen networks with light hydrocarbon recovery[J]. 中国化学工程学报, 2021, 40(12): 141-148.
[6]	Xiong Yu, Han Zhou, Qiang Zheng, Shan Jing, Wenjie Lan, Shaowei Li. Determining axial dispersion coefficients of pilot-scale annular pulsed disc and doughnut columns[J]. 中国化学工程学报, 2020, 28(6): 1504-1513.
[7]	Xiangyu Li, Jianjun Du, Licheng Wang, Jiangli Fan, Xiaojun Peng. Effects of different nozzle materials on atomization results via CFD simulation[J]. 中国化学工程学报, 2020, 28(2): 362-368.
[8]	Shutian Chen, Qingchao Jiang, Xuefeng Yan. Multimodal process monitoring based on transition-constrained Gaussian mixture model[J]. 中国化学工程学报, 2020, 28(12): 3070-3078.
[9]	Shichang Chen, Lihao Zhang, Yongjun Wang, Xianming Zhang, Wenxing Chen. Residence time distribution of high viscosity fluids falling film flow down outside of industrial-scale vertical wavy wall: Experimental investigation and CFD prediction[J]. 中国化学工程学报, 2019, 27(7): 1586-1594.
[10]	Hu Zhao, Jun Li, Qingshan Zhu, Hongzhong Li. Modulating the mean residence time difference of wide-size particles in a fluidized bed[J]. Chinese Journal of Chemical Engineering, 2018, 26(2): 238-244.
[11]	Jiahui Li, Yudan Zhu, Yumeng Zhang, Qingwei Gao, Wei Zhu, Xiaohua Lu, Yijun Shi. Extra low friction coefficient caused by the formation of a solid-like layer: A new lubrication mechanism found through molecular simulation of the lubrication of MoS₂ nanoslits[J]. Chinese Journal of Chemical Engineering, 2018, 26(12): 2412-2419.
[12]	朱炜, 朱峰, 荣冈. A Novel Mechanism for TRF of Plant-wide Material Flows in Process Industry MES[J]. Chinese Journal of Chemical Engineering, 2014, 22(4): 418-428.
[13]	孙淑兰, 鲍晓军, 魏伟胜. 喷动床中气体停留时间分布的研究[J]. , 2005, 13(3): 291-296.
[14]	胡洪波, 姚善泾, 林东强, 朱自强. 肿胀床中蛋白质吸附性能[J]. , 2000, 8(3): 230-235.
[15]	王跃发, 毛在砂, 陈家镛. The Relationship Between Hysteresis and Liquid Flow Distribution inTrickle Beds[J]. , 1999, 7(3): 221-229.