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Modelling transport phenomena and chemical reactions in automotive three-way catalytic converters

2009-05Journal article Open access
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dc.contributor.authorSantos, H.
dc.contributor.authorCosta, M.
dc.contributor.authorSantos, Helder
dc.date.accessioned2025-04-23T10:04:31Z
dc.date.available2025-04-23T10:04:31Z
dc.date.issued2009-05
dc.description.abstractThis study concentrates on the external and internal mass transfer with multiple reactions in the catalytic layer of a three-way catalyst (TWC). A single channel model accounting for the species diffusion inside the washcoat using the effectiveness factor was developed. Validation and calibration of the model was achieved by comparing predictions against experimental data obtained previously by the same authors. The model was then applied to study the importance of both turbulent monolith structures and controlled washcoat structures on TWC conversions. The numerical results show that: (i) increasing the transport coefficients using turbulent monolith structures can produce either positive or negative effects on the TWC conversions; (ii) overall, the net effect of increasing the transport coefficients on the TWC conversions is positive; (iii) at high inlet gas temperatures and high space velocities the turbulent monolith structures present important improvements in the TWC conversions; (iv) the TWC conversions can be significantly improved enhancing the transport properties of the porous washcoat structure; (v) enhancements in the transport properties of the washcoat structure have deeper impacts on the TWC conversions than improvements in the monolith channel structure.eng
dc.description.sponsorshipThe first author (H. Santos) is pleased to acknowledge the Fundação para a Ciência e Tecnologia for the provision of a scholarship SFRH/BD/32851/20.
dc.identifier.citationH. Santos, M. Costa, Modelling transport phenomena and chemical reactions in automotive three-way catalytic converters, Chemical Engineering Journal, Volume 148, Issue 1, 2009, Pages 173-183, ISSN 1385-8947, https://doi.org/10.1016/j.cej.2008.11.047.
dc.identifier.doi10.1016/j.cej.2008.11.047
dc.identifier.issn1385-8947
dc.identifier.urihttp://hdl.handle.net/10400.8/12829
dc.language.isoeng
dc.peerreviewedyes
dc.publisherElsevier
dc.relationSFRH/BD/32851/20
dc.relation.hasversionhttps://www.sciencedirect.com/science/article/pii/S1385894708008085
dc.relation.ispartofChemical Engineering Journal
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectConversion
dc.subjectMathematical modelling
dc.subjectMonolith structures
dc.subjectMultiphase reactions
dc.subjectThree-way catalyst
dc.subjectTransport processes
dc.subjectWashcoat structures
dc.titleModelling transport phenomena and chemical reactions in automotive three-way catalytic converterseng
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage183
oaire.citation.issue1
oaire.citation.startPage173
oaire.citation.titleChemical Engineering Journal
oaire.citation.volume148
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85
person.familyNameSantos
person.givenNameHelder
person.identifier.orcid0000-0001-6686-7991
relation.isAuthorOfPublication2b817169-78c2-4922-879a-02f1c40dafd9
relation.isAuthorOfPublication.latestForDiscovery2b817169-78c2-4922-879a-02f1c40dafd9

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This study concentrates on the external and internal mass transfer with multiple reactions in the catalytic layer of a three-way catalyst (TWC). A single channel model accounting for the species diffusion inside the washcoat using the effectiveness factor was developed. Validation and calibration of the model was achieved by comparing predictions against experimental data obtained previously by the same authors. The model was then applied to study the importance of both turbulent monolith structures and controlled washcoat structures on TWC conversions. The numerical results show that: (i) increasing the transport coefficients using turbulent monolith structures can produce either positive or negative effects on the TWC conversions; (ii) overall, the net effect of increasing the transport coefficients on the TWC conversions is positive; (iii) at high inlet gas temperatures and high space velocities the turbulent monolith structures present important improvements in the TWC conversions; (iv) the TWC conversions can be significantly improved enhancing the transport properties of the porous washcoat structure; (v) enhancements in the transport properties of the washcoat structure have deeper impacts on the TWC conversions than improvements in the monolith channel structure.
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