Comprehensive reaction mechanism for n-butanol pyrolysis and combustion

A detailed reaction mechanism for n-butanol, consisting of 263 species and 3381 reactions, has been generated using the open-source software package, Reaction Mechanism Generator (RMG). The mechanism is tested against recently published data – jet-stirred reactor mole fraction profiles, opposed-flow...

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Bibliographic Details
Published in:	Combustion and flame Vol. 158; no. 1; pp. 16 - 41
Main Authors:	Harper, Michael R., Van Geem, Kevin M., Pyl, Steven P., Marin, Guy B., Green, William H.
Format:	Journal Article
Language:	English
Published:	Amsterdam Elsevier Inc 01.01.2011 Elsevier
Subjects:	ALDEHYDES Applied sciences AUTOIGNITION BUTANOLS CHEMISTRY COMBUSTION COMBUSTION KINETICS Combustion. Flame computer software COMPUTERIZED SIMULATION data collection Delay DIFFUSION Diffusion flames DOPED MATERIALS Energy Energy. Thermal use of fuels Exact sciences and technology FLAMES INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY METHANE Moles n-Butanol PYROLYSIS QUANTUM MECHANICS Rate constants Reaction mechanism Reaction mechanisms SENSITIVITY ANALYSIS SHOCK TUBES Theoretical studies. Data and constants. Metering TIME DELAY 12 Pyrolysis n-Butanol 11.1 1.2 Reaction mechanism Combustion Methane Sensitivity analysis Quantum chemistry Flame propagation Reaction rate Diffusion flame Autoignition Flame structure Butanol Delay time Shock tube
ISSN:	0010-2180, 1556-2921
Online Access:	Get full text
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