Role of peroxy chemistry in the high-pressure ignition of n-butanol – Experiments and detailed kinetic modelling

Despite considerable interest in butanol as a potential biofuel candidate, its ignition behaviour at elevated pressures still remains largely unexplored. The present study investigates the oxidation of n-butanol in air at pressures near 80 bar. Ignition delays were determined experimentally in the t...

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Bibliographic Details
Published in:Combustion and flame 2011-08, Vol.158 (8), p.1444-1455
Main Authors: Vranckx, S., Heufer, K.A., Lee, C., Olivier, H., Schill, L., Kopp, W.A., Leonhard, K., Taatjes, C.A., Fernandes, R.X.
Format: Article
Language:English
Subjects:
Applied sciences
Combustion
Combustion. Flame
Delay
Elevated
Energy
Energy. Thermal use of fuels
Engines
Exact sciences and technology
High-pressure kinetics
Ignition
Ignition delays
n-Butanol oxidation
Peroxy chemistry
Reaction kinetics
Recording
Shock tube
Theoretical studies. Data and constants. Metering
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Summary:Despite considerable interest in butanol as a potential biofuel candidate, its ignition behaviour at elevated pressures still remains largely unexplored. The present study investigates the oxidation of n-butanol in air at pressures near 80 bar. Ignition delays were determined experimentally in the temperature range of 795–1200 K between 61 and 92 bar. The time of ignition was determined by recording pressure and CH-emission time histories throughout the course of the experiments. The results display the first evidence of the influence of negative temperature coefficient (NTC) behaviour which was not observed in earlier ignition studies. The high-pressure measurements show that NTC behaviour is enhanced as pressures are increased. The experimental results were modelled using an improved chemical kinetic mechanism which includes a simplified sub-mechanism for butyl-peroxy formation and isomerisation reactions currently incompletely accounted for in n-butanol kinetic models. The detailed mechanism validated with the high-pressure ignition results for realistic engine in-cylinder conditions can have significant impact on future advanced low-temperature combustion engines.
ISSN:0010-2180
1556-2921
DOI:10.1016/j.combustflame.2010.12.028