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    A comparative study of the chemical kinetics of methyl and ethyl propanoate

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    MP EP Paper after review v15.pdf
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    Description:
    Accepted Manuscript
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    Type
    Article
    Authors
    Farooq, Aamir cc
    Davidson, D.F.
    Hanson, R.K.
    Westbrook, C.K.
    KAUST Department
    Chemical Kinetics & Laser Sensors Laboratory
    Clean Combustion Research Center
    Mechanical Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2014-10
    Permanent link to this record
    http://hdl.handle.net/10754/347283
    
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    Abstract
    High temperature pyrolysis of methyl propanoate (CH3CH 2C(O)OCH3) and ethyl propanoate (CH3CH 2C(O)OCH2CH3) was studied behind reflected shock waves at temperatures of 1250-1750 K and pressure of 1.5 atm. Species time-histories were recorded for CO, CO2, C2H4, and H2O using laser absorption methods over a test time of 1 ms. Pyrolysis of methyl propanoate (MP) appears to be faster than that of ethyl propanoate (EP) under the present experimental conditions, where CO and CO 2 reach their plateau values faster for MP at a specific temperature and fuel concentration. Higher plateau values are reached for CO in case of MP while the CO2 levels are similar for the two ester fuels. Ethylene production is larger for EP due to the presence of six-centered ring elimination reaction that produces ethylene and propanoic acid. Very little H2O is produced during MP pyrolysis in contrast with appreciable H2O production from EP. Sensitivity and rate-of-production analyses were carried out to identify key reactions that affect the measured species profiles. Previous kinetic mechanisms of Yang et al. (2011) [1,2] and Metcalf et al. (2009, 2007) [3,4] were used as base models and then refined to propose a new MP/EP pyrolysis mechanism. © 2014 Elsevier Ltd. All rights reserved.
    Citation
    A comparative study of the chemical kinetics of methyl and ethyl propanoate 2014, 134:26 Fuel
    Publisher
    Elsevier BV
    Journal
    Fuel
    DOI
    10.1016/j.fuel.2014.05.035
    Additional Links
    http://linkinghub.elsevier.com/retrieve/pii/S0016236114004888
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.fuel.2014.05.035
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

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