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    Effects of methyl substitution on the auto-ignition of C16 alkanes

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    ManuscriptRevisedColoured[2].pdf
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    Description:
    Accepted Manuscript
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    Type
    Article
    Authors
    Lapuerta, Magín
    Hernández, Juan J.
    Sarathy, Mani cc
    KAUST Department
    Chemical Engineering Program
    Clean Combustion Research Center
    Combustion and Pyrolysis Chemistry (CPC) Group
    Physical Science and Engineering (PSE) Division
    Date
    2015-12-19
    Online Publication Date
    2015-12-19
    Print Publication Date
    2016-02
    Permanent link to this record
    http://hdl.handle.net/10754/596051
    
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    Abstract
    The 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.
    Citation
    Effects of methyl substitution on the auto-ignition of C16 alkanes 2016, 164:259 Combustion and Flame
    Publisher
    Elsevier BV
    Journal
    Combustion and Flame
    DOI
    10.1016/j.combustflame.2015.11.024
    Additional Links
    http://linkinghub.elsevier.com/retrieve/pii/S0010218015004228
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.combustflame.2015.11.024
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Engineering Program; Clean Combustion Research Center

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