Acetaldehyde oxidation at elevated pressure

Hamid Hashemi, Jakob Munkholt Christensen, Paul Marshall, Peter Glarborg*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

A detailed chemical kinetic model for oxidation of CH3CHO at intermediate to high temperature and elevated pressure has been developed and evaluated by comparing predictions to novel high-pressure flow reactor experiments as well as shock tube ignition delay measurements and jet-stirred reactor data from literature. The flow reactor experiments were conducted with a slightly lean CH3CHO/O2 mixture highly diluted in N2 at 600-900 K and pressures of 25 and 100 bar. At the highest pressure, the oxidation of CH3CHO was in the NTC regime, controlled to a large extent by the thermal stability and reactions of peroxide species such as HO2, CH3OO, and CH3C(O)OO. Model predictions were generally in good agreement with the experimental data, even though the predicted temperature for onset of reaction was overpredicted at 100 bar. This discrepancy was attributed mainly to uncertainties in the CH3C(O)OO reaction subset. Predictions of ignition delays in shock tubes and species profiles in JSR experiments were also satisfactory. At temperatures above the NTC regime, acetaldehyde ignition and oxidation is affected mainly by the competition between dissociation of CH3CHO and reaction with the radical pool, and by reactions in the methane subset.
Original languageEnglish
JournalProceedings of the Combustion Institute
ISSN1540-7489
DOIs
Publication statusAccepted/In press - 2020

Keywords

  • CH 3 CHO oxidation
  • High pressure
  • low reactor experiments
  • Kinetic modeling

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