2013
DOI: 10.1021/jp308901q
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Abstract: A detailed kinetic model describing the oxidation of 2,5-dimethylfuran (DMF), a potential second-generation biofuel, is proposed. The kinetic model is based upon quantum chemical calculations for the initial DMF consumption reactions and important reactions of intermediates. The model is validated by comparison to new DMF shock tube ignition delay time measurements (over the temperature range 1300-1831 K and at nominal pressures of 1 and 4 bar) and the DMF pyrolysis speciation measurements of Lifshitz et al. [… Show more

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Cited by 109 publications
(193 citation statements)
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“…The reaction mechanism used here is based on a previous mechanism by Sirjean et al [23] which was developed to describe the combustion of 2,5-dimethylfuran. In this mechanism [23], the furan oxidation sub-mechanism of Tian et al [19] and an MF oxidation submechanism based on analogies with DMF and furan reactions were already included.…”
Section: Kinetic Modelingmentioning
confidence: 99%
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“…The reaction mechanism used here is based on a previous mechanism by Sirjean et al [23] which was developed to describe the combustion of 2,5-dimethylfuran. In this mechanism [23], the furan oxidation sub-mechanism of Tian et al [19] and an MF oxidation submechanism based on analogies with DMF and furan reactions were already included.…”
Section: Kinetic Modelingmentioning
confidence: 99%
“…In this mechanism [23], the furan oxidation sub-mechanism of Tian et al [19] and an MF oxidation submechanism based on analogies with DMF and furan reactions were already included. Based on the comparison between experimental measurements and modeling in this series of fuel studies (Part I: furan, Part II: MF, and Part III: DMF), some of the reactions or rate parameters of the furan and MF sub-mechanisms [23] were updated or replaced to improve the simulation of some intermediates. This was done to attempt to develop a comprehensive mechanism for all three fuels, while the DMF sub-mechanism of Sirjean et al [23] was not changed.…”
Section: Kinetic Modelingmentioning
confidence: 99%
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“…Comparisonofexperimental ignition delay times for mixtures of 0.75 %2 ,5-DMF and 2.81 %, 5.625 %, and 11.25 %O 2 in Ar at 1bar (from Ref. [176]) versus predictionsw ith the mechanisms of Somers et al [176] (solid line), Sirjean et al [214] (dashed line), and TogbØ et al [178] (dotted line). Reproduced from Ref.…”
Section: Validation Examples For Furanic Fuels:speciation Reaction Pmentioning
confidence: 99%