3D simulations of a microchannel reactor with diffusion inside the catalyst layer for 1-butanol dehydration reaction in gas phase

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Khan, Yaseen
dc.contributor.author Marin, Minna
dc.contributor.author Karinen, Reetta
dc.contributor.author Lehtonen, Juha
dc.date.accessioned 2018-12-10T10:36:13Z
dc.date.available 2018-12-10T10:36:13Z
dc.date.issued 2016-12-01
dc.identifier.citation Khan , Y , Marin , M , Karinen , R & Lehtonen , J 2016 , ' 3D simulations of a microchannel reactor with diffusion inside the catalyst layer for 1-butanol dehydration reaction in gas phase ' Chemical Engineering and Processing , vol. 110 , pp. 97-105 . DOI: 10.1016/j.cep.2016.07.002 en
dc.identifier.issn 0255-2701
dc.identifier.issn 1873-3204
dc.identifier.other PURE UUID: f9bb30ca-f135-4afd-87a2-3fd8b2335a68
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/3d-simulations-of-a-microchannel-reactor-with-diffusion-inside-the-catalyst-layer-for-1butanol-dehydration-reaction-in-gas-phase(f9bb30ca-f135-4afd-87a2-3fd8b2335a68).html
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=84991510923&partnerID=8YFLogxK
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/30119644/CHEM_Khan_et_al_3D_simulations_of_2018_Chemical_engineering_and_processing.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/35369
dc.description.abstract 3D and a 2D-axisymmetric models in COMSOL Multiphysics® environment were developed to address modeling strategies to optimize the performance of wall-coated microstructured reactors operated to study gas-phase reactions under isothermal conditions. The kinetics for 1-butanol dehydration reaction was derived in our previously published research. Typically ideal models are used for modelling bulk flow in the free channel with diffusion–reaction at the surface of the layer. However in order to solve the system non-idealities, we used non-ideal models to simulate the flow field inside the free channel and diffusion–reaction in the catalyst coating. The obtained results from the 3D and 2D-axisymmetric models developed in COMSOL Multiphysics® were compared mainly with 2D-PFR-type model developed in MATLAB®. The one-way coupling between the fluid flow and transport of the components revealed that flow field non-idealities effect the performance predictions for the system. The performance and efficiency of the washcoat catalyst in microstructured reactors can be improved by controlling the thickness of the catalyst layer. As a conclusion, to optimize the performance of microstructured reactors the effect of reactor flow field must also be considered besides, the other key operational parameters such as global residence time, reaction conditions and catalyst layer thickness. en
dc.format.extent 9
dc.format.extent 97-105
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries Chemical Engineering and Processing en
dc.relation.ispartofseries Volume 110 en
dc.rights openAccess en
dc.subject.other Chemistry(all) en
dc.subject.other Chemical Engineering(all) en
dc.subject.other Energy Engineering and Power Technology en
dc.subject.other Process Chemistry and Technology en
dc.subject.other Industrial and Manufacturing Engineering en
dc.subject.other 220 Industrial biotechnology en
dc.title 3D simulations of a microchannel reactor with diffusion inside the catalyst layer for 1-butanol dehydration reaction in gas phase en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Biotechnology and Chemical Technology
dc.contributor.department Department of Chemical and Metallurgical Engineering en
dc.subject.keyword 1-Butanol
dc.subject.keyword 3D modeling
dc.subject.keyword CFD
dc.subject.keyword Dehydration
dc.subject.keyword Diffusion–reaction
dc.subject.keyword Laminar flow
dc.subject.keyword Microreactor
dc.subject.keyword Chemistry(all)
dc.subject.keyword Chemical Engineering(all)
dc.subject.keyword Energy Engineering and Power Technology
dc.subject.keyword Process Chemistry and Technology
dc.subject.keyword Industrial and Manufacturing Engineering
dc.subject.keyword 220 Industrial biotechnology
dc.identifier.urn URN:NBN:fi:aalto-201812106384
dc.identifier.doi 10.1016/j.cep.2016.07.002
dc.type.version acceptedVersion

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