Catalyst library size

In gas phase reactions the size of catalyst libraries can be over couple of thousands. For instance, in the synthesis of aniline by direct amination of benzene around 25000 samples were screened in about a year [15], however, the optimization method used was not discussed. In contrast, in liquid phase reactions taking place at elevated pressure and temperature, due to technical difficulties the rational approach does not allow testing libraries containing more than 200 250 catalysts. Consequently, the informatic platform and the strategy used to design catalyst libraries for high-pressure liquid phase reactions should have very unique optimization tools. 

The most common process variables are as follows temperature, pressure, concentrations, pH, catalyst pore size, flow rate, stirring rate, etc. In the process of creating a compositional catalyst library the initial steps are as follows ... 

Although the term diversity is widely used in catalysis, it is ill defined. Diversity can be understood as a spread over a given catalyst space, or as a lack of similarity within a set of compounds [57-59]. Saying that Library a is more diverse than library b" can mean that library a covers a wider range of the catalyst space. Alternatively, it can mean that the catalysts in library a are more uniformly spread in the same space. One thing is certain library size alone does not guarantee diversity. 

The non-linear two-point boundary value differential equation of the catalyst pellet is best solved using the orthogonal collocation method as described by Elnashaie et al. (1988a). The bulk phase initial value differential equations should be solved using standard integration routines with automatic step size to ensure accuracy (e.g. DGEAR-IMSL library). 

Production on demand is more profitable, especially for chemicals with a limited lifetime. Some radiolabeled tracers need to be produced a short time before they are administered to a patient. Microfluidic systems also, owing to their small size, provide a portable platform for producing drugs on site and on demand. Microfluidics can be used to carry out rapid permutation and combination of reagents to create a library of synthetic chemicals. Such technology can be used to advantage to screen drugs and catalysts. 

JMia, 1., Beauvineau, C., Beauviere, S., Onen, E., Aufort, M., Beauvineau, A., Khaba, E., Herscovici, J., Meganem, R, and Girard, C. 2010. Automated synthesis of a 96 product-sized library of triazole derivatives using a sohd phase supported copper catalyst. Molecules. 15(5) 3087-3120. 

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