Petr Vyroubal, Martin Mačák, Tomáš Kazda, Marek Sedlařík
{"title":"FLUENT model for simulating cyclic voltammetry in electrochemistry","authors":"Petr Vyroubal, Martin Mačák, Tomáš Kazda, Marek Sedlařík","doi":"10.1007/s00706-023-03150-8","DOIUrl":null,"url":null,"abstract":"<p>The presented article deals with the creation of an own numerical model for the simulation of cyclic voltammetry in the field of electrochemistry. In practice, it is necessary to compare the result of voltammetry with the theoretical assumption to be able to obtain quantitative information from experiments. However, the electrochemical kinetics described by voltammetry is almost always a nonlinear transient problem. Apart from a few cases, an analytical solution is not possible and that is why computer simulation is necessary. The benefit of this work is the implementation of a more robust mathematical model in the ANSYS Fluent solver and the demonstration of its functionality.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":19011,"journal":{"name":"Monatshefte für Chemie / Chemical Monthly","volume":"16 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Monatshefte für Chemie / Chemical Monthly","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s00706-023-03150-8","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
The presented article deals with the creation of an own numerical model for the simulation of cyclic voltammetry in the field of electrochemistry. In practice, it is necessary to compare the result of voltammetry with the theoretical assumption to be able to obtain quantitative information from experiments. However, the electrochemical kinetics described by voltammetry is almost always a nonlinear transient problem. Apart from a few cases, an analytical solution is not possible and that is why computer simulation is necessary. The benefit of this work is the implementation of a more robust mathematical model in the ANSYS Fluent solver and the demonstration of its functionality.
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