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Issue 30, 2016
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Reaction rate of a composite core–shell nanoreactor with multiple nanocatalysts

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Abstract

We present a detailed theory for the total reaction rate constant of a composite core–shell nanoreactor, consisting of a central solid core surrounded by a hydrogel layer of variable thickness, where a given number of small catalytic nanoparticles are embedded at prescribed positions and are endowed with a prescribed surface reaction rate constant. Besides the precise geometry of the assembly, our theory accounts explicitly for the diffusion coefficients of the reactants in the hydrogel and in the bulk as well as for their transfer free energy jump upon entering the hydrogel shell. Moreover, we work out an approximate analytical formula for the overall rate constant, which is valid in the physically relevant range of geometrical and chemical parameters. We discuss in depth how the diffusion-controlled part of the rate depends on the essential variables, including the size of the central core. In particular, we derive some simple rules for estimating the number of nanocatalysts per nanoreactor for an efficient catalytic performance in the case of small to intermediate core sizes. Our theoretical treatment promises to provide a very useful and flexible tool for the design of superior performing nanoreactor geometries with optimized nanoparticle load.

Graphical abstract: Reaction rate of a composite core–shell nanoreactor with multiple nanocatalysts

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Publication details

The article was received on 21 Feb 2016, accepted on 04 Jul 2016 and first published on 05 Jul 2016


Article type: Paper
DOI: 10.1039/C6CP01179A
Citation: Phys. Chem. Chem. Phys., 2016,18, 20758-20767
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    Reaction rate of a composite core–shell nanoreactor with multiple nanocatalysts

    M. Galanti, D. Fanelli, S. Angioletti-Uberti, M. Ballauff, J. Dzubiella and F. Piazza, Phys. Chem. Chem. Phys., 2016, 18, 20758
    DOI: 10.1039/C6CP01179A

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