CIESC Journal ›› 2015, Vol. 66 ›› Issue (1): 366-372.doi: 10.11949/j.issn.0438-1157.20141562

Previous Articles     Next Articles

Simulation and optimization of operating parameters of isothermal reaction process for acetylene hydrogenation

HU Baolong, HU Guihua, JIANG Da, QIAN Feng   

  1. Key Laboratory of Advanced Control and Optimization for Chemical Processed of Ministry of Education, East China University of Science and Technology, Shanghai 200237, China
  • Received:2014-10-15 Revised:2014-10-24 Online:2015-01-05
  • Supported by:

    supported by the National Basic Research Program of China (2012CB720500), the National Natural Science Foundation of China (U1162202, 21276078), the Fundamental Research Funds for the Central Universities (222201314031), and Shanghai “Scientific and Technological Innovation Action Plan” Research Platform Construction Project (13DZ2295300).


With the study object of an acetylene hydrogenation reactor with isothermal tubular fixed bed, this paper used computational fluid dynamics (CFD) method to establish the two-dimensional homogeneous flow reactor model that had heat exchange with the outside. By adding the solid-gas energy equations, the heat exchange model of porous medium zone and two-temperature model of gas-solid coupled heat transfer are established. The genetic algorithm was used to fit reacting kinetic parameters. And the ratio of hydrogen acetylene ration (H2/C2H2) and the cooling temperature were optimized to meet the maximum of reaction selectivity. Simulation results show that the optimal hydrogen acetylene ratio is 1.18 and the optimal cooling temperature is 334.66 K. Finally, based on the simulation and optimization results, the effects of the hydrogen acetylene ratio and the cooling temperature on the selectivity of acetylene hydrogenation reaction were analysed, and therefore they provide an important significance for improving the operating performance of acetylene hydrogenation reactor.

Key words: acetylene hydrogenation, computational fluid dynamics, genetic algorithm, optimization

CLC Number: 

  • TQ221.242

[1] Tian Liang(田亮), Jiang Da(蒋达), Qian Feng(钱锋). Simulation and optimization of acetylene converter with decreasing catalyst activity [J]. CIESC Journal (化工学报), 2012, 63(1): 185-192
[2] Luo Xionglin(罗雄麟), Liu Jianxin(刘建新), Xu Feng(许锋), Zuo Xin(左信). Heterogeneous two-dimensional dynamic modeling and analysis of acetylene hydrogenation reactor [J]. Journal of Chemical Industry and Engineering(China)(化工学报), 2008, 59(6): 1454-1461
[3] Zhang Dongping(张东平), Wang Gonghua(王功华). Simulating and analysis of reactor for selective hydrogenation of acetylene [J]. Petrochemical Technology (石油化工), 2003, 32(5): 415-418
[4] Wang Fei(王飞), Luo Na(罗娜), Jiang Da(蒋达), Qian Feng(钱锋). Dynamic simulation and control of acetylene hydrogenation reactor in ethylene plant [J]. Computers and Applied Chemistry(计算机与应用化学), 2012, 29(1): 85-89
[5] Liang Yulong(梁玉龙), Gu Lifen(谷丽芬), Che Chunxia(车春霞). Thermodynamic analysis on acetylene hydrogenation reaction system [J]. Contemporary Chemical Industry(计算机与应用化学), 2013, 42(7): 1012-1014
[6] Lu Genmin(卢根民). Study in the effect of reversible and irreversible adsorption of hydrocarbons and hydrogen in the selective hydrogenation reaction[D]. Shanxi:Institute of Coal Chemistry, Chinese Academy of Sciences, 1990
[7] Szukiewicz M. Modeling of fixed-bed reactor: two models of industrial reactor for selective hydrogenation of acetylene [J]. Chemical Engineering Science, 1998, 53:149
[8] Tao Wenquan(陶文铨). Numerical Heat Transfer (数值传热学) [M]. 2nd ed. Xi'an:Xi'an Jiaotong University Press, 2001
[9] Gao Xi, Zhu Yaping, Luo Zhenghong, et al. CFD modeling of gas flow in porous medium and catalytic coupling reaction from carbon monoxide to diethyl oxalate in fixed-bed reactors [J]. Chemical Engineering Science, 2011, 66: 6028-6038
[10] Gauardo A, Coussirat M, Recasens A, et al. CFD equipment design [J]. Ins. Eng. Chem., 2004, 43: 7049-7056
[11] Gauardo A, Coussirat M, Recasens A, et al. CFD study on particle-to-fluid heat transfer in fixed bed reactors:convective heat transfer at low and high pressure [J]. Chem. Eng. Sci., 2006, 61: 4341-4353
[12] Long Huilong(龙回龙), Xu Mingjie(许明杰), Yu Donghua(于东华), et al. Two-temperature model of water gas shift reaction in porous media based on FLUENT [J]. Computers and Applied Chemistry(计算机与应用化学), 2012, 29(8): 981-985
[13] Beerens M. Chemical Reaction Engineering (化学反应工程)[M]. Zhang Jiyan(张继炎), trans. Beijing: China Petrochemical Press, 1991: 83-120, 429-445
[14] Orhan M Tarhan. Catalytic Reactor Design (催化反应器设计)[M]. Que Daoyou(阙道悠), trans. Beijing: Hydrocarbon Processing Press, 1989: 81-99
[15] Lei Yingjie(雷英杰). Genetic algorithm toolbox and its application by MATLAB(MATLAB遗传算法工具箱及应用)[M]. Xi'an: Xi'an Electronic and Science University Press, 2005: 95-103
[16] Chen Minheng(陈敏恒). Principles of Chemical Engineering(化工原理)[M]. Beijing:Chemical Industry Press, 1999: 161

[1] DENG Weifeng, JIANG Zhenhua, LIU Shaoshuai, ZHANG Ankuo, WU Yinong. Optimization design and experimental properties of high-temperature and high-capacity pulse tube cooler [J]. CIESC Journal, 2019, 70(1): 107-115.
[2] XIONG Pan, YAN Shuguang, LIU Weiyin. Structure optimization of cyclone based on response surface method [J]. CIESC Journal, 2019, 70(1): 154-160.
[3] ZHANG Li, WANG Wenwu, ZHANG Zhi'en, LIU Peisheng, WEN Jiangbo, DONG Liang. A waste heat recovery power generation system combined with natural gas liquefaction and CO2 capture [J]. CIESC Journal, 2019, 70(1): 261-270.
[4] WANG Zizong, LIU Hongqian, WANG Jiming. Research and optimization of separation technology of methanol to propylene [J]. CIESC Journal, 2019, 70(1): 136-145.
[5] YANG Shujun, WEI Yucong, WOO Meng Wai, WU Winston Duo, CHEN Xiao Dong, Xiao Jie. Numerical simulation of mono-disperse droplet spray dryer under influence of swirling flow [J]. CIESC Journal, 2018, 69(9): 3814-3824.
[6] GAO Xuejin, HUANG Mengdan, QI Yongsheng, WANG Pu. Batch process monitoring using multiphase AR-PCA optimized with PDPSO [J]. CIESC Journal, 2018, 69(9): 3914-3923.
[7] NIU Peifeng, WANG Xiaofei, LIU Nan, WANG Yuanning, CHANG Lingfang, ZHANG Xianchen. Modeling method of ASOS-ELM and its application in prediction of heat rate of steam turbine [J]. CIESC Journal, 2018, 69(9): 3924-3931.
[8] WANG Yaxiong, YANG Jingxuan, ZHANG Zhonglin, MA Xuli, LI Peng, HAO Xiaogang, GUAN Guoqing. TBCFB system simulation and optimization for pyrolysis-gasification-combustion of low rank coal [J]. CIESC Journal, 2018, 69(8): 3596-3604.
[9] CHEN Guoqi, SUN Jianjun, SUN Dianfeng, MA Chenbo. Performance analysis of double-end self-pumping mechanical seal for main coolant pump of sodium-cooled fast reactor [J]. CIESC Journal, 2018, 69(8): 3565-3576.
[10] FENG Lele, WANG Jingyu, WU Yuxin, ZHANG Hai, ZHANG Man, LÜ Junfu, YUE Guangxi. Experimental and numerical investigation on effect of particle characteristics on performance of plate-type impact separator [J]. CIESC Journal, 2018, 69(8): 3348-3355.
[11] QI Chang, LU Diannan, LIU Yongmin. Prediction of thermodynamic properties of n-alkanes based on temperature-corrected force field [J]. CIESC Journal, 2018, 69(8): 3338-3347.
[12] WANG Rui, XU Yanxia, SONG Xingfu, XU Zhigang, YU Jianguo. Falling film crystallization kinetics of paraxylene [J]. CIESC Journal, 2018, 69(8): 3460-3468.
[13] SHI Ce, YU Ji, GAO Dong, WANG Haibin, YAO Shanjing, LIN Dongqiang. Process simulation and economic evaluation of monoclonal antibody production [J]. CIESC Journal, 2018, 69(7): 3198-3207.
[14] ZHANG Jie, LI Tao. Application of CFD to improve calculated process of methanation over plum-shaped catalyst [J]. CIESC Journal, 2018, 69(7): 2985-2992.
[15] SHI Fangyi, WANG Ziyang, LIANG Jun. Fault classification based on semi-supervised dense ladder network [J]. CIESC Journal, 2018, 69(7): 3083-3091.
Full text



No Suggested Reading articles found!