Volume 11 Issue 5
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Maghrebi, R., Yaghobi, N., Seyednejadian, S., & Tabatabaei, M. H. (2013). CFD modeling of catalyst pellet for oxidative coupling of methane: Heat transfer and reaction. Particuology, 11(5), 506–513. https://doi.org/10.1016/j.partic.2012.08.008
CFD modeling of catalyst pellet for oxidative coupling of methane: Heat transfer and reaction
Ramin Maghrebi a, Nakisa Yaghobi b *, Siavash Seyednejadian a, Mitra H. Tabatabaei b
a Department of Chemical Engineering, South-Tehran Branch, Islamic Azad University, P.O. Box 11365/4435, Tehran, Iran
b Iran Polymer and Petrochemical Institute, P.O. Box 14965/115, Tehran, Iran
10.1016/j.partic.2012.08.008
Volume 11, Issue 5, October 2013, Pages 506-513
Received 4 March 2012, Revised 29 July 2012, Accepted 14 August 2012, Available online 2 June 2013.
E-mail: n.yaghobi@ippi.ac.ir

Highlights

• Steady state behavior of OCM in a single catalyst pellet was studied by CFD.

• Diffusion, reaction and heat transfer were modeled in pellet scale.

• Simulation results were in reasonable agreement with experimental data.

• Results show that exothermic oxidation reactions occur before endothermic coupling reaction.

• At the forefront of the pellet reactions are dominant whereas at downstream diffusion predominates.


Abstract

This study deals with the phenomena occuring at single-pellet catalyst scale for the oxidative coupling of methane where heat transfer plays an important role. Computational fluid dynamics (CFD) is used for obtaining detailed rate and temperature profiles through the porous catalytic pellet where reaction and diffusion compete. Intra-particle temperature and concentration gradients were taken into account by solving heat transfer coupled with continuity equations in the catalyst pellet. In heat transfer, the energy term due to highly exothermic reaction was considered. Two external programs were successfully implemented into the CFD-code as kinetic and heat of reaction terms. Simulation results showed that reaction was favored at the beginning for the pellet, followed by diffusion predomination. The results of CFD simulation indicate that temperature variation within the catalyst pellet is <2 K due to exothermic oxidation. The results showed further that exothermic oxidation reactions occurred prior to endothermic coupling reaction in the pellet.

Graphical abstract
Keywords
Catalyst pellet; Oxidative coupling of methane; Modeling; CFD; Kinetics