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dc.contributor.authorLapuerta, Magín
dc.contributor.authorHernández, Juan J.
dc.contributor.authorSarathy, Mani
dc.date.accessioned2016-02-11T13:18:32Z
dc.date.available2016-02-11T13:18:32Z
dc.date.issued2015-12-19
dc.identifier.citationEffects of methyl substitution on the auto-ignition of C16 alkanes 2016, 164:259 Combustion and Flame
dc.identifier.issn00102180
dc.identifier.doi10.1016/j.combustflame.2015.11.024
dc.identifier.urihttp://hdl.handle.net/10754/596051
dc.description.abstractThe auto-ignition quality of diesel fuels, quantified by their cetane number or derived cetane number (DCN), is a critical design property to consider when producing and upgrading synthetic paraffinic fuels. It is well known that auto-ignition characteristics of paraffinic fuels depend on their degree of methyl substitution. However, there remains a need to study the governing chemical functionalities contributing to such ignition characteristics, especially in the case of methyl substitutions, which have not been studied in detail. In this work, the auto-ignition of 2,6,10-trimethyltridecane has been compared with the reference hydrocarbons used for cetane number determination, i.e. n-hexadecane and heptamethylnonane, all of them being C16 isomers. Results from a constant-volume combustion chamber under different pressure and temperature initial conditions showed that the ignition delay time for both cool flame and main combustion events increased less from n-hexadecane to trimethyltridecane than from trimethyltridecane to heptamethylnonane. Additional experimental results from blends of these hydrocarbons, together with kinetic modelling, showed that auto-ignition times and combustion rates were correlated to the concentration of the functional groups indicative of methyl substitution, although not in a linear manner. When the concentration of these functional groups decreased, the first stage OH radical concentration increased and ignition delay times decreased, whereas when their concentration increased, H2O2 production was slower and ignition was retarded. Contrary to the ignition delay times, DCN was correlated linearly with functional groups, thus homogenizing the range of values and clarifying the differences between fuels.
dc.language.isoen
dc.publisherElsevier BV
dc.relation.urlhttp://linkinghub.elsevier.com/retrieve/pii/S0010218015004228
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Combustion and Flame. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Combustion and Flame, 18 December 2015. DOI: 10.1016/j.combustflame.2015.11.024
dc.subjectAuto-ignition
dc.subjectCombustion
dc.subjectBiofuels
dc.subjectDiesel engine
dc.subjectBranched alkanes
dc.titleEffects of methyl substitution on the auto-ignition of C16 alkanes
dc.typeArticle
dc.contributor.departmentChemical Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentCombustion and Pyrolysis Chemistry (CPC) Group
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalCombustion and Flame
dc.eprint.versionPost-print
dc.contributor.institutionEscuela Técnica Superior de Ingenieros Industriales, Universidad de Castilla La-Mancha, Avda. Camilo José Cela s/n, 13071 Ciudad Real, Spain
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personSarathy, Mani
refterms.dateFOA2017-12-18T00:00:00Z
dc.date.published-online2015-12-19
dc.date.published-print2016-02


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