Development of a Modeling-Based Strategy for the Safe and Effective Scale-up of Highly Energetic Hydrogenation Reactions
Organic Process Research & Development2014Vol. 18(12), pp. 1828–1835
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Christopher Mitchell, Josiah D. Strawser, Alex Gottlieb, Michael H. Millonig, Frederick A. Hicks, Charles D. Papageorgiou
Abstract
A modeling-based strategy is disclosed for identifying reaction conditions for the safe and effective scale-up of highly energetic hydrogenation reactions. The model was developed within Scale-up Systems’s DynoChem 2011 and takes under consideration the kinetics of the reaction, the reactor heat transfer capabilities, and the degree of mass transfer. Fourier transform infrared spectroscopy (FT-IR), heat flow, and H2 uptake data were used to determine the reaction kinetics that were found to be most accurately described by a Langmuir–Hinshelwood type model. The scale-up model was validated within our kilo-laboratory using a 5 L reactor.
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