Reactor performance estimation in microscale flow calorimeter for rapid characterization of exothermic reactions

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dc.contributor.authorFrede, Timothy Aljoscha
dc.contributor.authorNikbin, Nick
dc.contributor.authorKockmann, Norbert
dc.date.accessioned2023-10-11T11:56:53Z
dc.date.available2023-10-11T11:56:53Z
dc.date.issued2022-12-12
dc.description.abstractContinuous flow calorimeters are a promising tool in process development and safety engineering, especially for flow chemistry applications to characterize the heat release and kinetic parameters of rapid chemical reactions. In this study, the digital accompaniment of an isoperibolic flow calorimeter for characterization of exothermic reactions is presented. To support experimental planning and evaluation, computational fluid dynamic simulations are carried out for single-phase flow in the microreactor. The residence time distribution is obtained and used for estimation of conversion and temperature profiles along the microreactor channel. This leads to an integration of CFD simulations into the calorimeter’s software-guided workflow reducing the experimental effort regarding the determination of thermokinetic data. The approach is tested for a highly exothermic test reaction, which provides further hints for future investigations.en
dc.identifier.urihttp://hdl.handle.net/2003/42134
dc.identifier.urihttp://dx.doi.org/10.17877/DE290R-23967
dc.language.isoende
dc.relation.ispartofseriesJournal of flow chemistry;13(1)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/de
dc.subjectCFD simulationen
dc.subjectCompartment Modeling.en
dc.subjectDesign of Experiments.en
dc.subjectDigital Twin.en
dc.subjectFlow Calorimetry.en
dc.subjectMicroreactor.en
dc.subject.ddc660
dc.titleReactor performance estimation in microscale flow calorimeter for rapid characterization of exothermic reactionsen
dc.typeTextde
dc.type.publicationtypeArticlede
dcterms.accessRightsopen access
eldorado.secondarypublicationtruede
eldorado.secondarypublication.primarycitationFrede, T.A., Nikbin, N. & Kockmann, N. Reactor performance estimation in microscale flow calorimeter for rapid characterization of exothermic reactions. J Flow Chem 13, 31–44 (2023). https://doi.org/10.1007/s41981-022-00251-zde
eldorado.secondarypublication.primaryidentifierDOI: https://doi.org/10.1007/s41981-022-00251-zde

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