Volume 65, Issue 10 e16687
REACTION ENGINEERING, KINETICS AND CATALYSIS

Optimizing catalyst pore network structure in the presence of deactivation by coking

Guanghua Ye

Guanghua Ye

State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, China

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Haizhi Wang

Haizhi Wang

State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, China

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Xinggui Zhou

Corresponding Author

Xinggui Zhou

State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, China

Correspondence

Xinggui Zhou, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.

Email: [email protected]

Frerich J. Keil, Institute of Chemical Reaction Engineering, Hamburg University of Technology, Hamburg D-21073, Germany.

Email: [email protected]

Marc-Olivier Coppens, Department of Chemical Engineering, University College London, London WC1E 7JE, UK.

Email: [email protected]

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Frerich J. Keil

Corresponding Author

Frerich J. Keil

Institute of Chemical Reaction Engineering, Hamburg University of Technology, Hamburg, Germany

Correspondence

Xinggui Zhou, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.

Email: [email protected]

Frerich J. Keil, Institute of Chemical Reaction Engineering, Hamburg University of Technology, Hamburg D-21073, Germany.

Email: [email protected]

Marc-Olivier Coppens, Department of Chemical Engineering, University College London, London WC1E 7JE, UK.

Email: [email protected]

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Marc-Olivier Coppens

Corresponding Author

Marc-Olivier Coppens

Department of Chemical Engineering, University College London, London, UK

Correspondence

Xinggui Zhou, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.

Email: [email protected]

Frerich J. Keil, Institute of Chemical Reaction Engineering, Hamburg University of Technology, Hamburg D-21073, Germany.

Email: [email protected]

Marc-Olivier Coppens, Department of Chemical Engineering, University College London, London WC1E 7JE, UK.

Email: [email protected]

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Weikang Yuan

Weikang Yuan

State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, China

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First published: 06 June 2019
Citations: 26

Funding information: “Chenguang Program” supported by Shanghai Education Development Foundation and Shanghai Municipal Education Commission, Grant/Award Number: 17CG29; China Postdoctoral Science Foundation, Grant/Award Number: 2018T110358; Engineering and Physical Sciences Research Council, Grant/Award Numbers: EP/K014706/1, EP/K038656/1; Fundamental Research Funds for the Central Universities, Grant/Award Numbers: 222201714004, 222201718003; National Natural Science Foundation of China, Grant/Award Numbers: 21706067, U1663221

Abstract

Designing the pore network structure is an effective approach to improve the performance of industrial catalyst particles, although it receives less attention than designing catalytic surfaces or active sites. This work presents a first example of the optimization of catalyst pore network structures in the presence of deactivation by coke formation, using a three-dimensional pore network model. Propane dehydrogenation in a Pt-Sn/Al2O3 catalyst particle is taken as the model reaction system. Catalyst particles with unimodal and bimodal pore-size distributions are investigated, both being commonly used in industry. The porosity, connectivity, pore size, and their spatial distributions are optimized under two separate assumptions: constant intrinsic activity per unit catalyst weight and constant intrinsic activity per unit internal surface area. The optimized catalyst shows up to 14-fold improvement in the time-averaged propene formation rate, when compared to a benchmark catalyst. This significant improvement is primarily because of reductions in diffusion resistance and pore blockage.