Modelling a reactor cell for operando IR studies: From qualitative to fully quantitative kinetic investigations

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• 作者：Sé ; bastien Thomas^a ; ¹ ; ^{sebastien.thomas@unistra.fr} ; Olivier Marie^a ; Philippe Bazin^a ; Luca Lietti^b ; Carlo Giorgio Visconti^b ; Michele Corbetta^c ; Flavio Manenti^c ; Marco Daturi^a
• 关键词：Operando spectroscopy ; Kinetic modelling ; Reactor modelling ; Heterogeneous catalysis ; SSITKA
• 刊名：Catalysis Today
• 出版年：2017
• 出版时间：1 April 2017
• 年：2017
• 卷：283
• 期：Complete
• 页码：176-184
• 全文大小：2268 K
• 卷排序：283

文摘

Gas fluid dynamics in an IR reactor cell was modelled using computational fluid dynamics. The IR cell consists in a combination of ideal reactors both in series and parallel. Kinetic constant for methanol/methoxy exchange on CeO2 was obtained from operando SSITKA. Moving from a disk to a square sample holder led to a quasi perfect plug-flow reactor. Better estimation of the kinetic constant enabled by the optimized reactor geometry.