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Optimal Bimodal Pore Networks for Heterogeneous Catalysis

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: S. Gheorghiu and M.-O. Coppens

Editorial: AIChE Journal, 50, p.812, 2004.


A practical problem in the rational design of a heterogeneous catalyst is to optimize its structure at all scales. By optimizing the large-pore network of a bimodal porous catalyst with a given nanoporosity (for example, zeolite or mesoporous catalyst) for the yield of diffusion-limited first-order reactions, it is found that catalysts typically benefit from a hierarchical pore network with a broad pore-size distribution. When comparing the performance of the optimal structures to that of self-similar, fractal-like pore hierarchies, it is found that the latter can be made to have the same effectiveness factor as the optimal ones, suggesting that fractal-like catalysts operate very near optimality, even if their structure is considerably different from that of the true optima. This is useful, because fractal-like structures have the advantage of being organized in a modular, natural way, potentially easy to reproduce by templating.

Cuvinte cheie: optimization, catalysis, porous media, fractals, bimodal catalysts