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

Ye, G; Wang, H; Zhou, X; Keil, FJ; Coppens, MO; Yuan, W; Optimizing catalyst pore network structure in the presence of deactivation by coking. AIChE Journal 10.1002/aic.16687. Green open access

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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.

Type: Article
Title: Optimizing catalyst pore network structure in the presence of deactivation by coking
Open access status: An open access version is available from UCL Discovery
DOI: 10.1002/aic.16687
Publisher version: https://doi.org/10.1002/aic.16687
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: propane dehydrogenation, deactivation by coking, pore network model, catalyst design, optimization
UCL classification: UCL
UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10079525
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