Development of high performance catalysts for CO oxidation using data-based modeling
Yan, W, Chen, Y, Yang, Y and Chen, T (2011) Development of high performance catalysts for CO oxidation using data-based modeling Catalysis Today, 174 (1). 127 - 134. ISSN 0920-5861
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Official URL: http://dx.doi.org/10.1016/j.cattod.2011.01.039
This paper presents a model-aided approach to the development of catalysts for CO oxidation. This is in contrast to the traditional methodology whereby experiments are guided based on experience and intuition of chemists. The proposed approach operates in two stages. To screen a promising combination of active phase, promoter and support material, a powerful “space-filling” experimental design (specifically, Hammersley sequence sampling) was adopted. The screening stage identified Au–ZnO/Al2O3 as a promising recipe for further optimization. In the second stage, the loadings of Au and ZnO were adjusted to optimize the conversion of CO through the integration of a Gaussian process regression (GPR) model and the technique of maximizing expected improvement. Considering that Au constitutes the main cost of the catalyst, we further attempted to reduce the loading of Au with the aid of GPR, while keeping the low-temperature conversion to a high level. Finally we obtained 2.3%Au–5.0%ZnO/Al2O3 with 21 experiments. Infrared reflection absorption spectroscopy and hydrogen temperature-programmed reduction confirmed that ZnO significantly promotes the catalytic activity of Au.
|Divisions:||Faculty of Engineering and Physical Sciences > Chemical and Process Engineering|
|Deposited By:||Symplectic Elements|
|Deposited On:||05 Oct 2011 13:43|
|Last Modified:||13 Jun 2013 02:40|
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