Estimation of kinetic parameters and study on mass and heat transfer characteristics of ethylbenzene dehydrogenation based on improved Marine Predator Algorithm

TANG Renshi; XIE Le

doi:10.11949/0438-1157.20260283

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Estimation of kinetic parameters and study on mass and heat transfer characteristics of ethylbenzene dehydrogenation based on improved Marine Predator Algorithm

更新时间：2026-05-19

- Estimation of kinetic parameters and study on mass and heat transfer characteristics of ethylbenzene dehydrogenation based on improved Marine Predator Algorithm
- CIESC Journal (2026)
- 作者机构：
  
  中南大学化学化工学院，湖南长沙 410083
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260283
  CLC： TQ 032
- Received：04 March 2026，
  
  Revised：2026-05-13，
  
  Accepted：19 May 2026，
- 稿件说明：
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TANG Renshi, XIE Le. Estimation of kinetic parameters and study on mass and heat transfer characteristics of ethylbenzene dehydrogenation based on improved Marine Predator Algorithm[J/OL]. CIESC Journal, 2026.
DOI：

TANG Renshi, XIE Le. Estimation of kinetic parameters and study on mass and heat transfer characteristics of ethylbenzene dehydrogenation based on improved Marine Predator Algorithm[J/OL]. CIESC Journal, 2026. DOI： 10.11949/0438-1157.20260283.

摘要

固定床中乙苯脱氢制苯乙烯反应动力学-反应器耦合模型中包含大量的未知参数，如何利用有限的实验数据高效校准这些参数具有重要意义。通过引入了线性种群缩减、特征坐标系旋转和停滞重启机制三种改进策略，提出了一种改进的海洋捕食者算法(IMPA)。首先利用两个标准测试函数对算法性能进行评价，IMPA算法计算得到的残差平均值分别为1.23和5.38，远小于标准MPA、遗传算法（GA）和灰狼算法（GWO）的残差平均值，且IMPA迭代100代的平均CPU耗时小于0.68 s。然后将IMPA算法用于固定床中乙苯脱氢反应动力学参数识别，四个反应速率常数和温度之间均满足阿伦尼乌斯方程（R

0.90），计算得到主反应的活化能为159.15 kJ/mol。最后利用模型研究固定床中乙苯脱氢过程的传质和传热特性。系统分析了轴向扩散系数、气-固相间传质系数、催化剂颗粒内扩散系数和颗粒粒径对乙苯转化率和苯乙烯产量的影响规律；考察了气-固相间传热系数、壁面总传热系数和流速对固定床内气相温度分布的影响，进而得到最优操作条件。IMPA 算法也可为其他反应器模型参数识别和操作条件优化提供一种有效的求解方法。

Abstract

The reaction kinetic-reactor coupled model of ethylbenzene dehydrogenation to styrene in fixed bed contains many unknown parameters. It is of great significance to efficiently calibrate these parameters using limited experimental data. This study proposes an improved Marine Predator Algorithm (IMPA) by introducing three improvement strategies: linear population reduction

feature coordinate system rotation

and stagnation restart mechanism. Firstly

two standard test functions were employed to evaluate the performance of the algorithm

The mean residual values obtained by the IMPA were only 1.23 and 5.38

respectively

which are significantly lower than those of the standard MPA

genetic algorithm (GA)

and Grey Wolf Optimizer (GWO). Moreover

the average CPU time of IMPA over 100 iterations was less than 0.68 s. Then

the IMPA was applied to estimate the kinetic parameters. All the four reaction rate constants satisfied the Arrhenius equation as a function of temperature (R² > 0.90)

and the activation energy for the main reaction was calculated to be 159.15 kJ/mol. Finally

the mass and heat transfer characteristics of ethylbenzene dehydrogenation process in fixed bed were investigated. The effects of axial diffusion coefficient

gas-solid phase mass transfer coefficient

catalyst particle internal diffusion coefficient

and particle size on ethylbenzene conversion and styrene production were analyzed; The effects of gas-solid interphase heat transfer coefficient

total wall heat transfer coefficient

and flow velocity on the temperature distribution of gas phase were also studied. The proposed IMPA can also provide an effective solution method for parameter estimation and operating condition optimization of other reactor models.

关键词

Keywords

references

林百宁 . 磷掺杂氮化硼催化剂的合成及乙苯脱氢应用研究 [D ] . 长沙：中南大学 , 2022 .

Lin B N . Synthesis and application of phosphorus doped boron nitride catalyst for dehydrogenation of ethylbenzene to styren [D ] . Changsha ： Central South University , 2022 .

Jea Lee W , Forment G F . Ethylbenzene dehydrogenation into styrene: kinetic modeling and reactor simulation [J ] . Industrial & engineering chemistry research , 2008 , 47 ( 23 ): 9183 - 9194 .

章菊萍 , 张王一心 , 祝星 . 碱金属改性对SrMnO 3 催化乙苯化学链氧化脱氢性能的影响规律研究 [J/OL ] . 化工学报 : 1 - 19 . https://link.cnki.net/urlid/11.1 946.TQ.20260203.0904.002 https://link.cnki.net/urlid/11.1946.TQ.20260203.0904.002 .

Zhang J P , Zhang W Y X , Zhu X . Performance of alkali metal-loaded SrMnO₃ oxygen carriers in chemical looping oxidative dehydrogenation of ethylbenzene [J/OL ] . CIESC Journal : 1 - 19 . https://link.cnki.net/urlid/11.1946.TQ. 20260203.0904.002 https://link.cnki.net/urlid/11.1946.TQ.20260203.0904.002 .

卢研兵 . 硼碳氮催化乙苯氧化脱氢反应的性能研究 [D ] . 福州：福州大学 , 2023 .

Lu Y B . Performance study of boroncarbonitride catalyzed oxidative dehydrogenation of ethylbenzene [D ] . Fuzhou ： Fuzhou University , 2023 .

Bahadori F , Azizi A , Ghasemzadeh K . Reduction of catalyst deactivation effects on styrene monomer production in multistage radial fixed bed reactor [J ] . Journal of Flow Chemistry , 2016 , 6 ( 4 ): 315 - 322 .

卫瑞麒 . In 2 O 3 -Al 2 O 3 复合氧化物催化CO 2 氧化乙苯脱氢性能的研究 [D ] . 太原：太原理工大学 , 2024 .

Wei R Q . Study on the catalytic dehydrogenation performance of ethylbenzene by CO 2 oxidation catalyzed by In 2 O 3 -Al 2 O 3 composite oxides [D ] . Taiyuan ： Taiyuan University of Technology , 2024 .

Agrawal N , Rangaiah G , Ray A K , et al . Multi-objective optimization of the operation of an industrial low-density polyethylene tubular reactor using genetic algorithm and its jumping gene adaptations [J ] . Industrial & engineering chemistry research , 2006 , 45 ( 9 ): 3182 - 3199 .

俞辉 , 王超 , 李丽娟 , 等 . 基于非支配排序遗传算法的乙苯脱氢工艺条件优化 [J ] . 化工学报 , 2012 , 63 ( 9 ): 2771 - 2776 .

Yu H , Wang C , Li L J , et al . Optimization for operating conditions of ethylbenzene dehydrogenation based on non-dominated sorting genetic algorithm [J ] . CIESC Journal , 2012 , 63 ( 9 ): 2771 - 2776 .

Chaudhari P , Gupta S K . Multiobjective optimization of a fixed bed maleic anhydride reactor using an improved biomimetic adaptation of NSGA-II [J ] . Industrial & engineering chemistry research , 2012 , 51 ( 8 ): 3279 - 3294 .

王超 , 李丽娟 . 基于改进粒子群算法的乙苯脱氢过程多目标优化 [J ] . 化工自动化及仪表 , 2012 , 39 ( 3 ): 356 - 359,432 .

Wang C , Li L J . Multi-objective optimization of ethylbenzene dehydrogenation process based on modified particle swarm algorithm [J ] . Control and Instruments in Chemical Industry , 2012 , 39 ( 3 ): 356 - 359,432 .

Babu B , Chakole P G , Mubeen J S . Multiobjective differential evolution (MODE) for optimization of adiabatic styrene reactor [J ] . Chemical Engineering Science , 2005 , 60 ( 17 ): 4822 - 4837 .

王晓强 , 罗娜 , 叶贞成 , 等 . 基于Kriging的差分进化算法及其在苯乙烯流程优化中的应用 [J ] . 化工学报 , 2013 , 64 ( 12 ): 4563 - 4570 .

Wang X Q ， Luo N , Ye Z C , et al . Differential evolution algorithm based on Kriging and its application in styrene plant optimization [J ] . CIESC Journal , 2013 , 64 ( 12 ): 4563 - 4570 .

Hajabdollahi H . New global multi-objective optimization of compact heat exchanger [J ] . Chemical Engineering Science , 2024 , 300 : 120462 .

Khoshbakht A , Hajabdollahi H , Dehaj M S . Investigating the effect of stream reflux on optimum design of heat exchanger using Particle Swarm Algorithm [J ] . Journal of the Taiwan Institute of Chemical Engineers , 2023 , 144 : 104745 .

Li G , Guan S , Gao Y , et al . Evaluation of multi-objective optimization methods applied to ternary dividing-wall columns [J ] . Chemical Engineering Research and Design , 2024 , 203 : 573 - 582 .

Zhang H , Lu P , Hua C , et al . Machine Learning-Aided Optimal Design and Distributed Model Predictive Control of Reactive Dividing Wall Column [J ] . Computers & Chemical Engineering , 2025 : 109355 .

Kasat R B , Gupta S K . Multi-objective optimization of an industrial fluidized-bed catalytic cracking unit (FCCU) using genetic algorithm (GA) with the jumping genes operator [J ] . Computers & Chemical Engineering , 2003 , 27 ( 12 ): 1785 - 1800 .

Quddus M R , Zhang Y , Ray A K . Multiobjective optimization of a porous ceramic membrane reactor for oxidative coupling of methane [J ] . Industrial & engineering chemistry research , 2010 , 49 ( 14 ): 6469 - 6481 .

Jiang Z , Chen J , Xie S , et al . Establishment of CFD-ANN-NSGA-II model for stirred reactor design [J ] . Chemical Engineering Science , 2025 , 311 : 121614 .

Diao J , Hu M , Lian Z , et al . Ti 3 C 2 Tx MXene catalyzed ethylbenzene dehydrogenation: active sites and mechanism exploration from both experimental and theoretical aspects [J ] . ACS Catalysis , 2018 , 8 ( 11 ): 10051 - 10057 .

Hossain M M , Atanda L , Al-Yassir N , et al . Kinetics modeling of ethylbenzene dehydrogenation to styrene over a mesoporous alumina supported iron catalyst [J ] . Chemical Engineering Journal , 2012 , 207 : 308 - 321 .

Tarafder A , Rangaiah G , Ray A K . Multiobjective optimization of an industrial styrene monomer manufacturing process [J ] . Chemical Engineering Science , 2005 , 60 ( 2 ): 347 - 363 .

Yee A K , Ray A K , Rangaiah G P . Multiobjective optimization of an industrial styrene reactor [J ] . Computers & Chemical Engineering , 2003 , 27 ( 1 ): 111 - 130 .

Majumdar S , Mitra K . Modeling of a reaction network and its optimization by genetic algorithm [J ] . Chemical Engineering Journal , 2004 , 100 ( 1-3 ): 109 - 118 .

Elnashaie S , Abdallah B , Elshishini S , et al . On the link between intrinsic catalytic reactions kinetics and the development of catalytic processes: Catalytic dehydrogenation of ethylbenzene to styrene [J ] . Catalysis today , 2001 , 64 ( 3-4 ): 151 - 162 .

Sanz S G , Mcmillan L , Mcgregor J , et al . A new perspective on catalytic dehydrogenation of ethylbenzene: the influence of side-reactions on catalytic performance [J ] . Catalysis Science & Technology , 2015 , 5 ( 7 ): 3782 - 3797 .

Leite B , Da Costa A O S , Da Costa Junior E F . Simulation and optimization of axial-flow and radial-flow reactors for dehydrogenation of ethylbenzene into styrene based on a heterogeneous kinetic model [J ] . Chemical Engineering Science , 2021 , 244 : 116805 .

Leite B , Da Costa A O S , Da Costa Junior E F . Multi-objective optimization of adiabatic styrene reactors using Generalized Differential Evolution 3 (GDE3) [J ] . Chemical Engineering Science , 2023 , 265 : 118196 .

Faramarzi A , Heidarinejad M , Mirjalili S , et al . Marine Predators Algorithm: A nature-inspired metaheuristic [J ] . Expert systems with applications , 2020 , 152 : 113377 .

Liu Z Z , Wang Y , Yang S , et al . An adaptive framework to tune the coordinate systems in nature-inspired optimization algorithms [J ] . IEEE transactions on cybernetics , 2018 , 49 ( 4 ): 1403 - 1416 .

Li Y , Wang S , Yang B , et al . Population reduction with individual similarity for differential evolution [J ] . Artificial Intelligence Review , 2023 , 56 ( 5 ): 3887 - 3949 .

Auger A , Hansen N . A restart CMA evolution strategy with increasing population size [C ] . IEEE congress on evolutionary computation , 2005 , 2 : 1769 - 1776 .

Liu Y , Xu F , Yuan N , et al . Revealing the Effect of Mass Transfer on Direct Dehydrogenation of Ethylbenzene Catalyzed by Phosphorous-doped Boron Nitride: Comparative Study [J ] . ChemCatChem , 2022 , 14 ( 2 ): e202101676 .

Abhishek K , Price K V , Suganthan P N , et al . Problem definitions and evaluation criteria for the cec 2022 special session and competition on single objective bound constrained numerical optimization [J ] . Nanyang Technological University , 2021 .

Tang R , Zhou Y , Xie L . Experimental, Kinetics, and Reactor Modeling Studies of the Direct Dehydrogenation of Ethylbenzene to Styrene in the Fixed-Bed Reactor [J ] . Industrial & Engineering Chemistry Research , 2024 , 63 ( 27 ): 11848 - 11860 .

Levenspiel O . Chemical reaction engineering [M ] . New York : John Wiley & Sons , 1998 .

Wakao N , Funazkri T . Effect of fluid dispersion coefficients on particle-to-fluid mass transfer coefficients in packed beds: correlation of Sherwood numbers [J ] . Chemical Engineering Science , 1978 , 33 ( 10 ): 1375 - 1384 .

Fogler H S . Elements of Chemical Reaction Engineering [M ] . 3rd ed . Upper Saddle River : Pearson Education , 1999 .

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