Catalysis combinatorial

Krantz, K., Ozturk, S. and Senkan, S. (2000) Application of combinatorial catalysis to the selective reduction of NO by C3H6. Catal. Today, 62, 281. 

Desrosiers, P., Guram, A., Hagemeyer, A. et al. (2001) Selective oxidation of alcohols by combinatorial catalysis. Catal. Today, 67, 397. 

Li, W., Gracia, F.J. and Wolf, E.E. (2003) Selective combinatorial catalysis challenges and opportunities the preferential oxidation of carbon monoxide. Catal. Today, 81, 437. 

White Paper of, 24 192-194 European Commission on Combinatorial Catalysis, 7 387, 392... 

Most of the techniques discussed above are typically used ex situ for catalyst characterization before and after reaction. This is normally the easiest way to carry out the experiments, and is often sufficient to acquire the required information. However, it is known that the reaction environment plays an important role in determining the structure and properties of working catalysts. Consequently, it is desirable to also try to perform catalytic studies under realistic conditions, either in situ [113,114,157, 191-193] or in the so-called operando mode, with simultaneous kinetics measurements [194-196], In addition, advances in high-throughput (also known as combinatorial) catalysis call for the fast and simultaneous analysis of a large number of catalytic samples [197,198], This represents a new direction for further research. 

J.C. Vedrine, E.G. Derouane, in Combinatorial Catalysis and High Throughput Catalyst Design and Testing, E.G. Derouane, F. Lemos, A. Corma, F.R. Ribeiro (Eds.), Kluwer Academic Publishers, 2000, p. 125. 

HIGH-THROUGHPUT EXPERIMENTATION AND COMBINATORIAL CATALYSIS — DEFINITION AND SCOPE... 

In the last decade methods of combinatorial catalysis and high throughput experimentation has obtained great interest [1-4]. In the field of heterogeneous catalysis most of the efforts are devoted to the investigation of gas phase reactions, where several hundreds catalysts can simultaneously be tested [5,6]. Contrary to that, in high-pressure liquid phase catalytic reactions in a single reactor module only 8-16 parallel experiments can be performed. There are reports to use up to six modules as a parallel setup [7]. 

Supramolecular chemistry also provides new tools for catalyst anchoring. We have shown that catalysts can be noncovalently attached to various soluble and insoluble supports, affording recyclable catalysts. Interestingly, the reversible nature of the noncovalent bond gives rise to new opportunities. In the first instance, we foresee an important role for supramolecular bidentate ligands in combinatorial catalysis - but as a consequence of the entirely new properties many new applications are envisioned. We look forward to new developments and results in this exciting emerging area of supramolecular catalysis. 

A high-throughput colorimetric assay was applied to identify catalysts by combining metals (Pd, Rh, Ru, Ir) and various phosphines for the hydroamination of dienes.217 Combinatorial catalysis was successfully used to find active catalysts in the Ru-catalyzed ring-closing metathesis reaction218 and the olefin polymerization by Ni and Pd.219... 

Some of their methods have been commercialized by hte AG, a German supplier of services in combinatorial catalysis. High-pressure applications have not been reported often due to their expense. A 14-fold stirrer autoclave has recently been presented [34] for liquid-gas reactions. 

Despite recent promising strategies, the principle of micro-process engineering is still not widely used in combinatorial catalysis. One drawback certainly is the increasing distance from industrial applications with decreasing dimensions. However, the small structures possess laminar flow conditions that are fully accessible by analytical as well as numerical macroscopic descriptions. This offers the chance to describe thoroughly the fluidic, diffusive and reactive phenomena in catalysis to find intrinsic kinetics on using, for example, non-porous sputtered catalysts. 

V. Botti, S. Valero, Application of artificial neural networks to combinatorial catalysis modeling and predicting ODHE catalysts, CHEMPHYSCHEM, 3 (2002), 939-945. 

Vauthey, I., Baumes, L., Hayaud, C., Farrusseng, D., Mirodatos, C., Grubert, G., Kolf, S., Cholinska, L., Baerns, M., Pels, J.R. in EuroCombiCat 2002, European Workshop on Combinatorial Catalysis, Book of Abstracts, Ischia, 2002, 44-46. 

C.M. Snively, J. Lauterbach, in Combinatorial Catalysis and Highthroughput Catalyst Design and Testing, NATO Science Series, C560, 1999, 311 pp. 

Serra, J.M., Corma, A., Valero, S., Argente, E. and Botti, V. (2007) Soft computing techniques applied to combinatorial catalysis a new approach for the discovery and optimization of catalytic materials. QSAR Comb. Sci., 26, 11. 

For the above applied oxidation of methane to carbon dioxide on some metal oxide catalysts, also a first-order reaction was assumed [10, pp. 182 and 193], However, in combinatorial catalysis it may be sufficient to have a first rough idea about the underlying kinetics. Without having prior information about the kinetics, the performance of a reactor is provided with a huge uncertainty. This is obvious if one considers the wide variation of reaction rates. Pre-exponential factors of reaction rate constants derived by the transition-state theory vary widely from approximately 10 to 1016 s-1 [10]. This first information might then be used to develop a pilot plant for the up-scaling and for further detailed kinetic examinations. 

Flego, C., Combinatorial catalysis a help for the chemical industry of the near future, Chim. Oggi 2003, 9, 69-74. 

Zhou, X., Armbrust, R., Fengler, W., Notheis, U., Application of combinatorial catalysis for the direct amination of benzene to aniline, Catal. Today 2003, 81, 319-328. 

Zech, T., Claus, P., Honicke, D., Miniaturized reactors in combinatorial catalysis and high-throughput experimentation, Chimia 2002, 56, 611-620. 

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