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

S. Vranckx, K. A. Heufer, Carson Odell Lee, H. Olivier, Leonhard Schill, W. A. Kopp, K. Leonhard, C. A. Taatjes, R. X. Fernandes

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

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. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
Original languageEnglish
JournalCombustion and Flame
Volume158
Issue number8
Pages (from-to)1444-1455
ISSN0010-2180
DOIs
Publication statusPublished - 2011
Externally publishedYes

Keywords

  • Alcohols
  • Engine cylinders
  • Experiments
  • Kinetic theory
  • Kinetics
  • Lasers
  • Oxidation
  • Ignition
  • butanol
  • alcohol oxidation
  • article
  • chemical reaction kinetics
  • combustion
  • controlled study
  • isomerization
  • kinetics
  • low temperature
  • pressure
  • priority journal
  • sensitivity analysis
  • stoichiometry
  • Chemical kinetic mechanism
  • Detailed kinetics
  • Elevated pressure
  • High-pressure kinetics
  • Ignition delays
  • Isomerisation reactions
  • Kinetic models
  • Low-temperature combustion
  • N-butanol
  • Peroxy chemistry
  • Significant impacts
  • Temperature range
  • Time history
  • N-Butanol oxidation
  • Shock tube
  • THERMODYNAMICS
  • ENERGY
  • ENGINEERING,
  • HIGHER-ALCOHOL/GASOLINE BLENDS
  • SINGLE-CYLINDER ENGINE
  • REFLECTED SHOCK-WAVES
  • CLOSTRIDIUM-ACETOBUTYLICUM
  • ESCHERICHIA-COLI
  • COMBUSTION CHARACTERISTICS
  • RECOMBINATION REACTION
  • ALKYLPEROXY RADICALS
  • HYDROGEN-PEROXIDE
  • DELAY TIMES
  • n-Butanol oxidation

Cite this

Vranckx, S., Heufer, K. A., Lee, C. O., Olivier, H., Schill, L., Kopp, W. A., Leonhard, K., Taatjes, C. A., & Fernandes, R. X. (2011). Role of peroxy chemistry in the high-pressure ignition of n-butanol - Experiments and detailed kinetic modelling. Combustion and Flame, 158(8), 1444-1455. https://doi.org/10.1016/j.combustflame.2010.12.028