A generalized CFD model for evaluating catalytic separation process in structured porous materials

Anshi Hong; Zisheng Zhang; Xingang Li; Xin Gao

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A generalized CFD model for evaluating catalytic separation process in structured porous materials

Full Length Article | Updated：2026-01-06

- A generalized CFD model for evaluating catalytic separation process in structured porous materials
- A generalized CFD model for evaluating catalytic separation process in structured porous materials
- 中国化学工程学报（英文版） 2022年51卷第11期页码：168-177
- Affiliations：
  
  1. School of Chemical Engineering and Technology, National Engineering Research Center of Distillation Technology, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin University,Tianjin,China,300072
  2. Department of Chemical and Biological Engineering, University of Ottawa,Ottawa,Canada,K1N 6N5
- Author bio：
- Funds：
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- 纸质出版：2022
- Accepted：
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Anshi Hong, Zisheng Zhang, Xingang Li, 等. A generalized CFD model for evaluating catalytic separation process in structured porous materials[J]. 中国化学工程学报（英文版）, 2022,51(11):168-177.

Anshi Hong, Zisheng Zhang, Xingang Li, Xin Gao. A generalized CFD model for evaluating catalytic separation process in structured porous materials[J]. Chinese Journal of Chemical Engineering, 2022, 51(11): 168-177.
Anshi Hong, Zisheng Zhang, Xingang Li, 等. A generalized CFD model for evaluating catalytic separation process in structured porous materials[J]. 中国化学工程学报（英文版）, 2022,51(11):168-177. DOI：

Anshi Hong, Zisheng Zhang, Xingang Li, Xin Gao. A generalized CFD model for evaluating catalytic separation process in structured porous materials[J]. Chinese Journal of Chemical Engineering, 2022, 51(11): 168-177. DOI：

摘要

Abstract

A hybrid multiphase model is developed to simulate the simultaneous momentum

heat and mass transfer and heterogeneous catalyzed reaction in structured catalytic porous materials. The approach relies on the combination of the volume of fluid (VOF) and Eulerian–Eulerian models

and several plug-in field functions. The VOF method is used to capture the gas–liquid interface motion

and the Eulerian–Eulerian framework solves the temperature and chemical species concentration equations for each phase. The self-defined field functions utilize a single-domain approach to overcome convergence difficulty when applying the hybrid multiphase for a multi-domain problem. The method is then applied to investigate selective removal of specific species in multicomponent reactive evaporation process. The results show that the coupling of catalytic reaction and interface species mass transfer at the phase interface is conditional

and the coupling of catalytic reaction and momentum transfer across fluid–porous interface significantly affects the conversion rate of reactants. Based on the numerical results

a strategy is proposed for matching solid catalyst with operating condition in catalytic distillation application.

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