Prototyping of catalyst pore-systems by a combined synthetic, analytical and computational approach: Application to mesoporous TiO2

Novak V, Ortel E, Winter B, Butz B, Paul B, Koci P, Marek M, Spiecker E, Kraehnert R (2014)

Publication Status: Published

Publication Type: Journal article

Publication year: 2014

Journal

Chemical Engineering Journal Elsevier

Publisher: Elsevier

Book Volume: 248

Pages Range: 49-62

DOI: 10.1016/j.cej.2014.02.004

Abstract

We propose a strategy that enables virtual prototyping and computational optimization of the pore system of a solid catalyst. The method combines template-assisted synthesis of porous metal oxides with tunable pore-space morphology, 3D imaging of the catalysts nanostructure by the state-of-the-art electron tomography in HAADF STEM mode, and multi-scale mathematical modeling that provides computational evaluation of the pore size distribution, effective diffusivity and tortuosity in the reconstructed system as well as macroscopic performance of the catalytic layer in terms of reactant conversion. This general approach is demonstrated on mesoporous TiO2 layers. (c) 2014 Elsevier B.V. All rights reserved.

Authors with CRIS profile

Benjamin Apeleo Zubiri Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Benjamin Butz Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung) Erdmann Spiecker Lehrstuhl für Werkstoffwissenschaften (Mikro- und Nanostrukturforschung)

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials Interdisziplinäres Zentrum, Center for Nanoanalysis and Electron Microscopy (CENEM)

Involved external institutions

Technische Universität Berlin DE Germany (DE) University of Chemistry and Technology (UCT) / Vysoká škola chemicko-technologická (VŠCHT) CZ Czech Republic (CZ)

How to cite

APA:

Novak, V., Ortel, E., Winter, B., Butz, B., Paul, B., Koci, P.,... Kraehnert, R. (2014). Prototyping of catalyst pore-systems by a combined synthetic, analytical and computational approach: Application to mesoporous TiO2. Chemical Engineering Journal, 248, 49-62. https://dx.doi.org/10.1016/j.cej.2014.02.004

MLA:

Novak, Vladimir, et al. "Prototyping of catalyst pore-systems by a combined synthetic, analytical and computational approach: Application to mesoporous TiO2." Chemical Engineering Journal 248 (2014): 49-62.

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