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Mass transport and catalytic activity in hierarchical/non-hierarchical and internal/external nanostructures: A novel comparison using 3D simulation

Paper ID Volume ID Publish Year Pages File Format Full-Text
39086 45806 2016 9 PDF Available
Title
Mass transport and catalytic activity in hierarchical/non-hierarchical and internal/external nanostructures: A novel comparison using 3D simulation
Abstract

•External nanostructures have low diffusional resistance and high active sites accessibility.•Hierarchical external nanostructures have the highest catalytic efficiency among the other nanostructures.•Specific and mass activity of internal nanostructures is less than external nanostructures.

The distinct organization of nanostructured materials influences several catalytic characteristics, like selectivity, sensitivity or catalytic efficiency. This paper studies the effect of geometrical configuration of nanostructured catalyst on mass transport and catalytic activity based on 3D simulations of hierarchical external, hierarchical internal, non-hierarchical external and non-hierarchical internal nanostructures. Generally, external nanostructures revealed higher utilization of catalytic surface than the internal nanostructures. Among the four investigated nanostructures, the mass transport in hierarchical external nanostructures was found to be the best; they even showed kinetic controlled regime for the species with low diffusion coefficient. In contrast, hierarchical internal nanostructures showed slightly less specific activity than non-hierarchical internal nanostructures because of higher total diffusional resistance and longer diffusional path. As a result, although hierarchical nanostructures possess large surface area, only the hierarchical external nanostructures provided an outstanding accessibility of active sites. The obtained results provide the tool for understanding the catalytic efficiency in complex nanostructure and phenomena that are technically difficult to measure.

Graphical abstractThe effect of the geometrical configuration of nanostructured catalyst on mass transport and catalytic activity is investigated based on 3D simulations of hierarchical external (H-Ex), hierarchical internal (H-In), non-hierarchical external (N-Ex) and non-hierarchical internal (N-In) nanostructures in a wide range of diffusion coefficients. The hierarchical external nanostructures have proven to be the most effective catalysis of an active species, especially with low diffusion coefficient, due to their high specific activity and high utilization of catalytic surface.Figure optionsDownload full-size imageDownload high-quality image (199 K)Download as PowerPoint slide

Keywords
Hierarchical nanostructures; 3D-simulation; Catalytic activity; Mass transport; Thiele modulus
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Mass transport and catalytic activity in hierarchical/non-hierarchical and internal/external nanostructures: A novel comparison using 3D simulation
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis A: General - Volume 517, 5 May 2016, Pages 12–20
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us