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

• Published in: Combustion and flame Vol. 157; no. 10; pp. 1976 - 1988
• Main Authors: Wang, Haowei, Warner, Steven J, Oehlschlaeger, Matthew A, Bounaceur, Roda, Biet, Joffrey, Glaude, Pierre-Alexandre, Battin-Leclerc, Frederique
• Format: Journal Article
• Language: English
• Published: United States Elsevier 15-10-2010
• Subjects: AIR; AUTOIGNITION; Chemical Physics; COMBUSTION KINETICS; CONDENSED AROMATICS; DECANE; FUELS; HYDROCARBONS; HYDROXYL RADICALS; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; Kinetic modeling; Methylnaphthalene; MIXTURES; OXIDATION; Physics; 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; a-Methylnaphthalene; Shock tube; Kinetic modeling; n-Decane; Ignition
• ISSN: 0010-2180; 1556-2921
• DOI: 10.1016/j.combustflame.2010.04.007

The autoignition of a-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.