Simulations of ethylene oxychlorination inside and around a micro-CT–reconstructed catalyst placed in a reactor
Journal
Chemical Engineering Research and Design
Journal Volume
230
Start Page
146
End Page
160
ISSN
02638762
Date Issued
2026-06
Author(s)
Li, Cheng-En
Wang, Tsuo-Feng
Chang, Chia-Hao
Wu, Hsiang-Ning
Hsu, Wan-Yi
Fukui, Kunihiro
Huang, An-Ni
Abstract
The internal structure of a hollow-cylinder catalyst is non-invasively characterized by X-ray μ-CT at 2 μm resolution. The images are used to develop the porosity distribution of the catalyst and the relationship between gas permeability and local porosity. Computational Fluid Dynamics simulations are then conducted to investigate ethylene oxychlorination reaction within and around the catalyst in a cylindrical reactor. In a single-catalyst-in-reactor model, the highest temperature, the minimum ethylene mass fraction and the maximum EDC mass fraction lie in the central region where local porosities are maximal. Local reverse flow and high effective thermal conductivity appear in the low-porosity outer shell region. Between the two inlet temperatures examined, 473 K and 523 K, the latter yields an overall reaction rate 4.4 times higher. Among the three orientations analyzed (0°, 45°, and 90°), the 45° tilted model achieves the highest average reaction rate of 0.1293 kmol/m3·s at 523 K, leading to the highest ethylene conversion of 1.20 × 10−3. In the 14-catalyst-in-reactor bed, interparticle packing causes non-uniform flow and heat accumulation, leading to hot spots, while intraparticle porosity governs internal mass transport. The ethylene conversion is 2.20 × 10−3 (473 K) and 1.09 × 10−2 (523 K).
Subjects
CFD
Ethylene oxychlorination
Micro-computed tomography
Permeability
Porosity
Publisher
Institution of Chemical Engineers
Type
journal article