Development of a Modeling-Based Strategy for the Safe and Effective Scale-up of Highly Energetic Hydrogenation Reactions

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• 作者：Christopher W. Mitchell ; Josiah D. Strawser ; Alex Gottlieb ; Michael H. Millonig ; Frederick A. Hicks ; Charles D. Papageorgiou
• 刊名：Organic Process Research & Development
• 出版年：2014
• 出版时间：December 19, 2014
• 年：2014
• 卷：18
• 期：12
• 页码：1828-1835
• 全文大小：405K
• ISSN：1520-586X

文摘

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鈥檚 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鈥揌inshelwood type model. The scale-up model was validated within our kilo-laboratory using a 5 L reactor.