Law of Mass Action Based Kinetic Approach for the Modeling of Parallel Mass Transfer Limited Reactions: Application to Metallurgical Systems

dc.contributorAalto-yliopistofi
dc.contributorAalto Universityen
dc.contributor.authorJärvinen, Mika
dc.contributor.authorVisuri, Ville Valtteri
dc.contributor.authorHeikkinen, E. P.
dc.contributor.authorKärnä, Aki
dc.contributor.authorSulasalmi, Petri
dc.contributor.authorDe Blasio, Cataldo
dc.contributor.authorFabritius, Timo
dc.contributor.departmentDepartment of Mechanical Engineering
dc.contributor.departmentUniversity of Oulu
dc.date.accessioned2021-05-12T06:37:52Z
dc.date.available2021-05-12T06:37:52Z
dc.date.issued2016
dc.description.abstractThe objective of this paper was to present a new law of mass action based rate expression for mass transfer limited reversible reactions. A simple reaction model was derived for parallel oxidation of silicon,chromium and carbon under conditions relevant to the argon-oxygen decarburization (AOD) process. Our hypothesis is that when the forward rate coefficients approach infinite values, the composition at the reaction surface approaches a constrained equilibrium. In numerical analysis, however, only finite numbers are allowed and therefore only finite values are accepted for rate coefficients. In order to circumvent this problem, additional residual affinity constraints were introduced. This assures that the affinities of all the reactions at the reaction front reach a pre-defined non-zero residual affinity and the rate coefficients remain finite. The calculated equilibrium composition is essentially the same as that obtained with the equilibrium coefficient method. In the case of effective gas side mass transfer, the component having the highest mole fraction or the highest mass transfer rate on the liquid side consumes most of the oxygen. When the gas side mass transfer rate is decreased, the mass transfer rate of oxygen begins to limit the overall rate and the partial pressure of oxygen at the reaction interface decreases. Then, the role of interfacial equilibrium becomes important as the species start to compete for the oxygen. The proposed method provides a transparent and direct solution of the mass transfer limited reaction rates and is thus suitable for process simulators and CFD software.en
dc.description.versionPeer revieweden
dc.format.extent1543-1552
dc.format.mimetypeapplication/pdf
dc.identifier.citationJärvinen , M , Visuri , V V , Heikkinen , E P , Kärnä , A , Sulasalmi , P , De Blasio , C & Fabritius , T 2016 , ' Law of Mass Action Based Kinetic Approach for the Modeling of Parallel Mass Transfer Limited Reactions: Application to Metallurgical Systems ' , ISIJ International , vol. 56 , no. 9 , pp. 1543-1552 . https://doi.org/10.2355/isijinternational.ISIJINT-2016-241en
dc.identifier.doi10.2355/isijinternational.ISIJINT-2016-241
dc.identifier.issn0915-1559
dc.identifier.issn1347-5460
dc.identifier.otherPURE UUID: d1107f38-27b6-447c-a0a2-844962b04233
dc.identifier.otherPURE ITEMURL: https://research.aalto.fi/en/publications/d1107f38-27b6-447c-a0a2-844962b04233
dc.identifier.otherPURE FILEURL: https://research.aalto.fi/files/62501543/J_rvinen_56_ISIJINT_2016_241.pdf
dc.identifier.urihttps://aaltodoc.aalto.fi/handle/123456789/107454
dc.identifier.urnURN:NBN:fi:aalto-202105126718
dc.language.isoenen
dc.publisherIron and Steel Institute of Japan
dc.relation.ispartofseriesISIJ Internationalen
dc.relation.ispartofseriesVolume 56, issue 9en
dc.rightsopenAccessen
dc.titleLaw of Mass Action Based Kinetic Approach for the Modeling of Parallel Mass Transfer Limited Reactions: Application to Metallurgical Systemsen
dc.typeA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessäfi
dc.type.versionpublishedVersion
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