An experimental and kinetic modeling study of the autoignition of {alpha}-methylnaphthalene/air and {alpha}-methylnaphthalene/n-decane/air mixtures at elevated pressures

Journal Article · Fri Oct 15 04:00:00 EDT 2010 · Combustion and Flame

DOI:https://doi.org/10.1016/J.COMBUSTFLAME.2010.04.007· OSTI ID:21350374

Wang, Haowei; Warner, Steven J; Oehlschlaeger, Matthew A ^[1]; Bounaceur, Roda; Biet, Joffrey; Glaude, Pierre-Alexandre; Battin-Leclerc, Frederique ^[2]

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1. Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY (United States)
2. Laboratoire Reactions et Genie des Procedes, CNRS, ENSIC, 1, rue Grandville, BP 20451, 54001 Nancy Cedex (France)

The autoignition of {alpha}-methylnaphthalene (AMN), the bicyclic aromatic reference compound for the cetane number (CN), and AMN/n-decane blends, potential diesel surrogate mixtures, was studied at elevated pressures for fuel/air mixtures in a heated high-pressure shock tube. Additionally, a comprehensive kinetic mechanism was developed to describe the oxidation of AMN and AMN/n-decane blends. Ignition delay times were measured in reflected shock experiments for {phi} = 0.5, 1.0, and 1.5 AMN/air mixtures (CN = 0) for 1032-1445 K and 8-45 bar and for {phi} = 1.0 30%-molar AMN/70%-molar n-decane/air (CN = 58) and 70%-molar AMN/30%-molar n-decane/air mixtures (CN = 28) for 848-1349 K and 14-62 bar. Kinetic simulations, based on the comprehensive AMN/n-decane mechanism, are in good agreement with measured ignition times, illustrating the emerging capability of comprehensive mechanisms for describing high molecular weight transportation fuels. Sensitivity and reaction flux analysis indicate the importance of reactions involving resonance stabilized phenylbenzyl radicals, the formation of which by H-atom abstractions with OH radicals has an important inhibiting effect on ignition. (author)

• OSTI ID: 21350374
• Journal Information: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: 10 Vol. 157; ISSN CBFMAO; ISSN 0010-2180
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
AIR
AUTOIGNITION
COMBUSTION KINETICS
CONDENSED AROMATICS
DECANE
FUELS
HYDROCARBONS
HYDROXYL RADICALS
Kinetic modeling
MIXTURES
Methylnaphthalene
OXIDATION
PRESSURE RANGE KILO PA
PRESSURE RANGE MEGA PA 01-10
RESONANCE
SENSITIVITY
SHOCK TUBES
SIMULATION
TEMPERATURE RANGE 0400-1000 K
TEMPERATURE RANGE 1000-4000 K
TIME DELAY