Three-dimensional geometric reconstruction and CFD simulation of an ethylene epoxidation packed-bed reactor based on X-ray computed tomography

ZHOU Jipeng; HE Laibin; LI Yingcheng; LI Mujin; LI Liyuan; HE Xiujuan; CHENG Zhenmin

doi:10.11949/0438-1157.20260871

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Three-dimensional geometric reconstruction and CFD simulation of an ethylene epoxidation packed-bed reactor based on X-ray computed tomography

更新时间：2026-08-03

- Three-dimensional geometric reconstruction and CFD simulation of an ethylene epoxidation packed-bed reactor based on X-ray computed tomography
- CIESC Journal (2026)
- 作者机构：
  
  1.化学工程与低碳技术全国重点实验室，华东理工大学，上海200237
  2.中石化（上海）石油化工研究院有限公司，上海201208
- 作者简介：
- 基金信息：
- DOI：10.11949/0438-1157.20260871
  CLC： TQ 021.4
- Received：23 June 2026，
  
  Revised：2026-08-02，
  
  Accepted：03 August 2026，
- 稿件说明：
移动端阅览
ZHOU Jipeng, HE Laibin, LI Yingcheng, et al. Three-dimensional geometric reconstruction and CFD simulation of an ethylene epoxidation packed-bed reactor based on X-ray computed tomography[J/OL]. CIESC Journal, 2026.
DOI：

ZHOU Jipeng, HE Laibin, LI Yingcheng, et al. Three-dimensional geometric reconstruction and CFD simulation of an ethylene epoxidation packed-bed reactor based on X-ray computed tomography[J/OL]. CIESC Journal, 2026. DOI： 10.11949/0438-1157.20260871.

摘要

本研究采用三维X射线CT成像技术对真实堆积四叶草催化剂颗粒群进行结构重构，并结合颗粒分辨CFD方法研究乙烯环氧化固定床反应器内流动、反应、传质与传热耦合过程。CT成像能够有效表征催化剂颗粒局部缺陷及复杂几何结构，基于重构结构计算得到四叶草催化剂颗粒床层水力学直径为0.89 mm。研究结果表明，流体绕过催化剂颗粒形成复杂局部流动结构，反应器内浓度梯度在固体-流体界面处存在明显变化。由于内扩散阻力作用，催化剂内部产生较大浓度梯度，而温度分布相对均匀。轴向流动增强对流传热，使反应器轴向温度梯度较小，而靠近壁面区域的径向温度梯度明显增大。本研究可为固定床反应器中真实催化剂颗粒群结构重构及多孔材料固体-孔隙双域多物理场耦合过程研究提供重要参考。

Abstract

In this study

three-dimensional X-ray computed tomography (CT) is employed to reconstruct the real packed bed of quadrilobe catalyst particles. Particle-resolved computational fluid dynamics (CFD) simulations are then conducted to investigate the coupled flow

reaction

mass transfer

and heat transfer processes in an ethylene epoxidation packed-bed reactor. CT imaging effectively captures local defects and complex geometrical features of the catalyst particles. Based on the reconstructed structure

the hydraulic diameter of the quadrilobe catalyst packed bed is determined to be 0.89 mm. The results show that the fluid bypasses catalyst particles

forming complex local flow structures. Pronounced concentration gradients of reactants and products develop near the solid–fluid interfaces. Due to intraparticle diffusion resistance

pronounced concentration gradients develop inside the catalyst particles

whereas the temperature distribution remains relatively uniform. Axial convection enhances convective heat transfer

leading to a relatively small axial temperature gradient in the reactor

while a more pronounced radial temperature gradient is observed near the reactor wall. This work provides important insights into the geometric reconstruction of realistic catalyst particle assemblies in packed-bed reactors and the coupled multiphysics transport processes in solid–pore dual-domain porous media.

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Keywords

references

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