A multipurpose reduced chemical-kinetic mechanism for methanol combustion

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dc.contributor.author Fernández Tarrazo, Eduardo Antonio
dc.contributor.author Sánchez Sanz, Mario
dc.contributor.author Sánchez, Antonio L.
dc.contributor.author Williams, Forman Arthur
dc.date.accessioned 2022-04-26T09:18:46Z
dc.date.available 2022-04-26T09:18:46Z
dc.date.issued 2016-06-01
dc.identifier.bibliographicCitation Combustion Theory and Modelling, (2016), 20(4), 613-631.
dc.identifier.issn 1364-7830
dc.identifier.uri http://hdl.handle.net/10016/34617
dc.description.abstract A multipurpose reduced chemical-kinetic mechanism for methanol combustion comprising 8 overall reactions and 11 reacting chemical species is presented. The development starts by investigating the minimum set of elementary reactions needed to describe methanol combustion with reasonable accuracy over a range of conditions of temperature, pressure, and composition of interest in combustion. Starting from a 27-step mechanism that has been previously tested and found to give accurate predictions of ignition processes for these conditions, it is determined that the addition of 11 elementary reactions taken from its basis (San Diego) mechanism extends the validity of the description to premixed-flame propagation, strain-induced extinction of non-premixed flames, and equilibrium composition and temperatures, giving results that compare favourably with experimental measurements and also with computations using the 247-step detailed San Diego mechanism involving 50 reactive species. Specifically, premixed-flame propagation velocities and extinction strain rates for non-premixed counterflow flames calculated with the 38-step mechanism show departures from experimental measurements and detailed-chemistry computations that are roughly on the order of 10%, comparable with expected experimental uncertainties. Similar accuracy is found in comparisons of autoignition times over the range considered, except at very high temperatures, under which conditions the computations tend to overpredict induction times for all of the chemistry descriptions tested. From this 38-step mechanism, the simplification is continued by introducing steady-state approximations for the intermediate species CH3, CH4, HCO, CH3O, CH2OH, and O, leading to an 8-step reduced mechanism that provides satisfactory accuracy for all conditions tested.
dc.description.sponsorship This work was supported by the Spanish MCINN [projects numbers CSD2010-00011, ENE2012-33213 and ENE2015-65852-C2-1-R]
dc.format.extent 18
dc.language.iso eng
dc.publisher Taylor & Francis
dc.rights © 2016 Informa UK Limited, trading as Taylor & Francis Group.
dc.rights Atribución-NoComercial-SinDerivadas 3.0 España
dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/es/
dc.subject.other Methanol combustion
dc.subject.other Reduced chemistry
dc.subject.other Autoignition
dc.subject.other Deflagration
dc.subject.other Diffusion-flame extinction
dc.title A multipurpose reduced chemical-kinetic mechanism for methanol combustion
dc.type article
dc.relation.publisherversion https://www.tandfonline.com/doi/full/10.1080/13647830.2016.1162330
dc.subject.eciencia Ingeniería Industrial
dc.identifier.doi https://doi.org/10.1080/13647830.2016.1162330
dc.rights.accessRights openAccess
dc.relation.projectID Gobierno de España. CSD2010-00011
dc.relation.projectID Gobierno de España. ENE2012-33213
dc.relation.projectID Gobierno de España. ENE2015-65852-C2-1-R
dc.type.version acceptedVersion
dc.identifier.publicationfirstpage 613
dc.identifier.publicationissue 4
dc.identifier.publicationlastpage 631
dc.identifier.publicationtitle COMBUSTION THEORY AND MODELLING
dc.identifier.publicationvolume 20
dc.identifier.uxxi AR/0000018230
dc.contributor.funder Ministerio de Ciencia e Innovación (España)
dc.affiliation.dpto UC3M. Departamento de Ingeniería Térmica y de Fluidos
dc.affiliation.grupoinv UC3M. Grupo de Investigación: Mecánica de Fluidos
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