Coppens, MO;
Weissenberger, T;
Zhang, Q;
Ye, G;
(2021)
Nature-Inspired, Computer-Assisted Optimization of Hierarchically Structured Zeolites.
Advanced Materials Interfaces
, 8
(4)
, Article 2001409. 10.1002/admi.202001409.
Preview |
Text
CoppensYeWeissenberger_AdvMatInt20fin.pdf - Accepted Version Download (8MB) | Preview |
Abstract
Zeolite catalysis is often affected by transport limitations, which significantly influence overall performance. Introducing wide pores as molecular transport highways can reduce transport limitations, control the product distribution, and mitigate effects of catalyst deactivation. Nevertheless, the importance to rationally design the meso‐ and macropore space remains underappreciated. This article reviews multiscale modelling approaches to optimize overall catalytic performance. It provides a general methodology and rules of thumb to guide catalyst synthesis with optimal pore network characteristics. Inspiration is taken from nature, such as the structure of leaves and tissues, with similar requirements and associated features. In optimal hierarchically structured zeolites, the added macro‐/mesopore volume fraction, connectivity, crystal size, and minimum wide pore size are crucial. The broad pore size distribution is secondary. No uncontrolled diffusion limitations should exist within the zeolite crystals. Surface barriers, however, can significantly affect, even dominate overall transport. Understanding their origin and ways to control them is an emergent research area. Synthesis methods to realize hierarchically structured zeolites are briefly reviewed. Significant gaps exist between laboratory synthesis methods and industrial requirements. Zeolite catalysis could benefit from computer‐assisted design of their hierarchical pore network, embracing principles used by natural transport networks for scalable efficiency, selectivity, and robustness.
| Type: | Article |
|---|---|
| Title: | Nature-Inspired, Computer-Assisted Optimization of Hierarchically Structured Zeolites |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1002/admi.202001409 |
| Publisher version: | https://doi.org/10.1002/admi.202001409 |
| 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: | zeolites, diffusion, catalysis, nature-inspired, surface barriers |
| UCL classification: | UCL 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/10118679 |
Archive Staff Only
 |
View Item |
