A shock tube and chemical kinetic modeling study of the pyrolysis and oxidation of butanols

Kenji Yasunaga, Takahiro Mikajiri, Subram Sarathy, Tohru Koike, Fiona Gillespie, Tibor Nagy, John M. Simmie, Henry J. Curran*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

78 Scopus citations

Abstract

The pyrolysis and oxidation of all four butanols (. n-, . sec-, . iso- and . tert-) have been studied at pressures from 1 to 4. atm and temperatures of 1000-1800. K behind reflected shock waves. Gas chromatographic sampling at different reaction times varying from 1.5 to 3.1. ms was used to measure reactant, intermediate and product species profiles in a single-pulse shock tube. In addition, ignition delays were determined at an average reflected shock pressure of 3.5. atm at temperatures from 1250 to 1800. K. A detailed chemical kinetic model consisting of 1892 reactions involving 284 species was constructed and tested against species profiles and ignition delays. The little-known chemistry of enols is included in . this work to explain the temperature dependence of acetaldehyde produced in the thermal decomposition of isobutanol.

Original languageEnglish (US)
Pages (from-to)2009-2027
Number of pages19
JournalCombustion and Flame
Volume159
Issue number6
DOIs
StatePublished - Jun 1 2012

Keywords

  • Ignition
  • N-Butanol
  • Oxidation
  • Pyrolysis
  • Sec-Butanol
  • Shock tube

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Fuel Technology
  • Energy Engineering and Power Technology
  • Physics and Astronomy(all)

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