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Simulations of TiO2 nanoparticles synthesised off-centreline in jet-wall stagnation flames

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cam.depositDate2021-12-08
cam.issuedOnline2022-01-11
cam.orpheus.successTue Feb 01 19:02:26 GMT 2022 - Embargo updated
datacite.issupplementedby.urlhttps://doi.org/10.17863/CAM.66854
dc.contributor.authorBringley, EJ
dc.contributor.authorManuputty, MY
dc.contributor.authorLindberg, CS
dc.contributor.authorLeon, G
dc.contributor.authorAkroyd, J
dc.contributor.authorKraft, M
dc.contributor.orcidBringley, EJ [0000-0003-4101-4874]
dc.contributor.orcidLindberg, CS [0000-0002-3591-3235]
dc.contributor.orcidLeon, G [0000-0001-6347-8907]
dc.contributor.orcidAkroyd, J [0000-0002-2143-8656]
dc.contributor.orcidKraft, M [0000-0002-4293-8924]
dc.date.accessioned2021-12-23T00:30:30Z
dc.date.available2021-12-23T00:30:30Z
dc.date.issued2022
dc.date.updated2021-12-08T17:47:01Z
dc.description.abstractA theoretical analysis of the formation of titanium dioxide (TiO2) nanoparticles from titanium tetraisopropoxide (TTIP) in premixed, jet-wall stagnation flames was performed to investigate the variation of the particle properties as a function of deposition radius. Two different TTIP loadings (280 and 560 ppm) were studied in two flames: a lean flame (equivalence ratio, ϕ = 0.35) and a stoichiometric flame (ϕ = 1.0). First, the growth of particles was described using a spherical particle model that was fully coupled to the conservation equations of chemically reacting flow and solved in 2D using the finite volume method. Second, particle trajectories were extracted from the 2D simulations and post-processed using a hybrid particle-number/detailed particle model solved using a stochastic numerical method. In the 2D simulations, the particles were predicted to have mean diameters in the range 3–10 nm, which is consistent with, but slightly less than experimental values observed in the literature. Off-centreline particle trajectories experienced longer residence times at higher temperatures downstream of the flame front. Two particle size distribution (PSD) shapes were observed. In the lean flame, a bimodal PSD was observed due to the high rates of inception and surface growth. In contrast, the stoichiometric flame was dominated by coagulation and the particles quickly attained a self-preserving size distribution. The PSDs were found to be different beyond a deposition radius of approximately one and a half times the nozzle radius due to a small degree of aggregation; this may impact the synthesis of nanoparticles using jet-wall stagnation flames for novel applications. Suggestions are made for future work, not least including the need for the predicted radial behaviour to be tested experimentally.
dc.description.sponsorshipThis research was supported by the National Research Foundation, Prime Minister’s Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme. EJB was funded by a Gates Cambridge Scholarship (OPP1144). GL was funded by a CONACYT Cambridge Scholarship and acknowledges the National Council of Science and Technology and the Cambridge Commonwealth Trust. MK gratefully acknowledges the support of the Alexander von Humboldt foundation. The authors are grateful to the University of Cambridge Research Computing Service for their technical support.
dc.identifier.doi10.17863/CAM.79180
dc.identifier.eissn1879-1964
dc.identifier.issn0021-8502
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/331731
dc.language.isoeng
dc.publisherElsevier BV
dc.publisher.departmentDepartment of Chemical Engineering And Biotechnology
dc.publisher.urlhttp://dx.doi.org/10.1016/j.jaerosci.2021.105928
dc.rightsAll Rights Reserved
dc.rights.urihttp://www.rioxx.net/licenses/all-rights-reserved
dc.subjectJet-wall stagnation flame
dc.subjectSpherical particle model
dc.subjectDetailed particle model
dc.subject2D simulations
dc.subjectTiO2 nanoparticles
dc.titleSimulations of TiO<inf>2</inf> nanoparticles synthesised off-centreline in jet-wall stagnation flames
dc.typeArticle
dcterms.dateAccepted2021-12-08
prism.publicationNameJournal of Aerosol Science
pubs.licence-display-nameApollo Repository Deposit Licence Agreement
pubs.licence-identifierapollo-deposit-licence-2-1
rioxxterms.typeJournal Article/Review
rioxxterms.versionAM
rioxxterms.versionofrecord10.1016/j.jaerosci.2021.105928

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