CFD modeling using heterogeneous reaction kinetics for catalytic dehydrogenation syngas reactions in a fixed-bed reactor--颗粒学报PARTICUOLOGY

Chen, X., Dai, J., & Luo, Z. (2013). CFD modeling using heterogeneous reaction kinetics for catalytic dehydrogenation syngas reactions in a fixed-bed reactor. Particuology, 11(6), 703–714. https://doi.org/10.1016/j.partic.2012.11.008

CFD modeling using heterogeneous reaction kinetics for catalytic dehydrogenation syngas reactions in a fixed-bed reactor

Xiaomin Chen, Jiu Dai, Zhenghong Luo^*

Department of Chemical and Biochemical Engineering, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

10.1016/j.partic.2012.11.008

Volume 11, Issue 6, December 2013, Pages 703-714

Received 12 July 2012, Revised 6 October 2012, Accepted 17 November 2012, Available online 7 June 2013.

E-mail: luozh@xmu.edu.cn; luozh@sjtu.edu.cn

Highlights

• Catalytic syngas dehydrogenation was controlled by dissociation–adsorption of O₂.

• A porous medium CFD model coupled with kinetics was used to simulate syngas dehydrogenation FBR.

• Simulation results were in a reasonable agreement with experimental data.

• Inlet gas temperature and composition affected hot spot temperature and H₂ conversion.

Abstract

A comprehensive 2D computational fluid dynamics (CFD) model was developed to simulate the flow behavior and catalytic dehydrogenation reaction of syngas in a heterogenous fixed-bed reactor (FBR). The model combined the porous medium CFD model with a reaction kinetics model. To acquire an accurate reaction kinetics model, a comprehensive reaction mechanism was studied for the heterogeneous catalytic dehydrogenation reaction of syngas over a supported metal catalyst. Based on the reaction mechanism and a statistical test, a reliable kinetics model was proposed. The CFD model combined with the above kinetics model was validated with one set of experimental data. The CFD model was also used to predict key reaction variable distributions such as the temperature and the component concentrations in the reactor.

Graphical abstract

Keywords

Reaction engineering; Multiphase reactor; Packed bed; Kinetics; CFD; Syngas dehydrogenation

文章导读