Oxidation of 1-Methylnaphthalene at 1–13 Atm: Experimental Study in a JSR and Detailed Chemical Kinetic Modeling

Mati, Karim; Ristori, A.; Pengloan, Gaëlle; Dagaut, Philippe

doi:10.1080/00102200601146536

Cited by 44 publications

(45 citation statements)

References 29 publications

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“…It should be noted that the present model was also successfully tested for the oxidation of pure n-decane, pure methyl octanoate, and pure 1-methylnaphtalene under similar JSR conditions [13,16,23,24]. Furthermore, the proposed model, not including the methyl octanoate chemistry, was used to simulate the oxidation of commercial and surrogate Diesel fuels [17] Figs.…”

Section: Modeling Resultsmentioning

confidence: 91%

“…We used a jet-stirred reactor (JSR) setup similar to that employed earlier [10,12,13]. It consisted of a fused-silica (to minimize wall catalytic reactions) sphere of 33 cm 3 in volume, equipped with four nozzles of 1 mm i.d.…”

Section: Methodsmentioning

confidence: 99%

“…The detailed chemical kinetic reaction mechanism used here is based on previous studies of the oxidation of methyl octanoate [15], large alkanes [9,10,16], and 1-methylnaphtalene [13]. Although cross-reactions describing the interactions between the main fuel components are of secondary importance, they were considered previously [17] for modeling the oxidation of commercial and surrogate Diesel fuels under conditions similar to those of the present study.…”

Section: Modelingmentioning

confidence: 98%

“…It is available from the authors and as Supplementary data. The rate constants for the reverse reactions were computed from the forward rate constants and the equilibrium constants calculated using the appropriate thermochemical data [10,13,20,21].…”

Section: Modelingmentioning

confidence: 99%

See 3 more Smart Citations

Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Ramirez

Hadj-Ali

Diévart

et al. 2011

Proceedings of the Combustion Institute

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Section: Modeling Resultsmentioning

confidence: 91%

Section: Methodsmentioning

confidence: 99%

Section: Modelingmentioning

confidence: 98%

Section: Modelingmentioning

confidence: 99%

See 2 more Smart Citations

Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Ramirez

Hadj-Ali

Diévart

et al. 2011

Proceedings of the Combustion Institute

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“…Mati et al [83] measured the species concentrations for 1-methylnaphthalene oxidation in a (JSR) at 800-1421K, 1-10 atm and at =0.5-1.5. They developed a chemical kinetic mechanism for 1-methylnaphthalene and compared the computed results to their JSR measurements and the shock tube ignition measurements of Pfahl et al [27].…”

Section: Naphthalenesmentioning

confidence: 99%

Recent progress in the development of diesel surrogate fuels

Pitz

Mueller

2011

Progress in Energy and Combustion Science

645

371

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There has been much recent progress in the area of surrogate fuels for diesel. In the last few years, experiments and modeling have been performed on higher molecular weight components of relevance to diesel fuel such as n-hexadecane (n-cetane) and 2,2,4,4,6,8,8-heptamethylnonane (iso-cetane). Chemical kinetic models have been developed for all the n-alkanes up to 16 carbon atoms. Also, there has been much experimental and modeling work on lower molecular weight surrogate components such as n-decane and n-dodecane that are most relevant to jet fuel surrogates, but are also relevant to diesel surrogates where simulation of the full boiling point range is desired. For two-ring compounds, experimental work on decalin and tetralin recently has been published. For multi-component surrogate fuel mixtures, recent work on modeling of these mixtures and comparisons to real diesel fuel is reviewed. Detailed chemical kinetic models for surrogate fuels are very large in size. Significant progress also has been made in improving the mechanism reduction tools that are needed to make these large models practicable in multidimensional reacting flow simulations of diesel combustion. Nevertheless, major research gaps remain. In the case of iso-alkanes, there are experiments and modeling work on only one of relevance to diesel: iso-cetane. Also, the iso-alkanes in diesel are lightly branched and no detailed chemical kinetic models or experimental investigations are available for such compounds. More components are needed to fill out the iso-alkane boiling point range. For the aromatic class of compounds, there has been no new work for compounds in the boiling point range of diesel. Most of the new work has been on alkyl aromatics that are of the range C7 to C8, below the C10 to C20 range that is needed. For the chemical class of cycloalkanes, experiments and modeling on higher molecular weight components are warranted. Finally for multi-component surrogates needed to treat real diesel, the inclusion of higher molecular weight components is needed in models and experimental investigations.

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Reactivity of the Indenyl Radical (C₉H₇) with Acetylene (C₂H₂) and Vinylacetylene (C₄H₄)

et al. 2019

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The reactions of the indenyl radicals with acetylene (C2H2) and vinylacetylene (C4H4) is studied in a hot chemical reactor coupled to synchrotron based vacuum ultraviolet ionization mass spectrometry. These experimental results are combined with theory to reveal that the resonantly stabilized and thermodynamically most stable 1‐indenyl radical (C9H7.) is always formed in the pyrolysis of 1‐, 2‐, 6‐, and 7‐bromoindenes at 1500 K. The 1‐indenyl radical reacts with acetylene yielding 1‐ethynylindene plus atomic hydrogen, rather than adding a second acetylene molecule and leading to ring closure and formation of fluorene as observed in other reaction mechanisms such as the hydrogen abstraction acetylene addition or hydrogen abstraction vinylacetylene addition pathways. While this reaction mechanism is analogous to the bimolecular reaction between the phenyl radical (C6H5.) and acetylene forming phenylacetylene (C6H5CCH), the 1‐indenyl+acetylene→1‐ethynylindene+hydrogen reaction is highly endoergic (114 kJ mol−1) and slow, contrary to the exoergic (−38 kJ mol−1) and faster phenyl+acetylene→phenylacetylene+hydrogen reaction. In a similar manner, no ring closure leading to fluorene formation was observed in the reaction of 1‐indenyl radical with vinylacetylene. These experimental results are explained through rate constant calculations based on theoretically derived potential energy surfaces.

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Oxidation of 1-Methylnaphthalene at 1–13 Atm: Experimental Study in a JSR and Detailed Chemical Kinetic Modeling

Cited by 44 publications

References 29 publications

Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Recent progress in the development of diesel surrogate fuels

Reactivity of the Indenyl Radical (C₉H₇) with Acetylene (C₂H₂) and Vinylacetylene (C₄H₄)

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Oxidation of 1-Methylnaphthalene at 1–13 Atm: Experimental Study in a JSR and Detailed Chemical Kinetic Modeling

Cited by 44 publications

References 29 publications

Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Oxidation of commercial and surrogate bio-Diesel fuels (B30) in a jet-stirred reactor at elevated pressure: Experimental and modeling kinetic study

Recent progress in the development of diesel surrogate fuels

Reactivity of the Indenyl Radical (C9H7) with Acetylene (C2H2) and Vinylacetylene (C4H4)

Contact Info

Product

Resources

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Reactivity of the Indenyl Radical (C₉H₇) with Acetylene (C₂H₂) and Vinylacetylene (C₄H₄)