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An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways
Bugler, John; Rodriguez, Anne; Herbinet, Olivier; Battin-Leclerc, Frédérique; Togbé, Casimir; Dayma, Guillaume; Dagaut, Philippe; Curran, Henry J.
Two jet-stirred reactors (JSRs) coupled to gas chromatographic and spectroscopic techniques have been utilised to detect chemical species evolved during n -pentane oxidation at 1 and 10 atm, in the temperature range 500-1100 K, and at equivalence ratios of 0.3-2.0. To the authors' knowledge, this is the first study of a fuel's oxidation in two JSRs. In addition, the choice of experimental conditions results in there being the same concentration of n -pentane in all investigated mixtures; 1% at 1 atm, and 0.1% at 10 atm. This permits the additional assessment of the importance of pressure-dependent kinetics in predicting species concentration profiles. A recently published literature model Bugler et al. (2016) served as the starting point in simulating these experiments, with only minor additions and modifications necessary to achieve good overall agreement. The main adjustments were made to account for multi-oxygenated species (C 5 aldehydes, ketones, diones, etc.) detected mainly at low temperatures ( The work at NUIG was supported by the Irish Research Council under Grant number EPSPG/2012/380. The collaboration between LRGP and NUIG was supported by COST Action 1404. The work at CNRS Orléans was supported by the ERC Advanced Researcher Grant no. 291049-2G-CSafe. 2018-06-16
Keyword(s): Jet-stirred reactor; Pentane; Kinetic modelling; CRDS; QRRK/MSC; LOW-TEMPERATURE OXIDATION; RATE RULES; RECOMBINATION REACTIONS; ALKYL; DECOMPOSITION; DISTRIBUTIONS; COMBUSTION; RADICALS; ISOMERS; ALKANES; Chemistry
Publication Date:
2017
Type: Journal article
Peer-Reviewed: Yes
Language(s): English
Contributor(s): |~|
Institution: NUI Galway
Publisher(s): Elsevier
File Format(s): application/pdf
First Indexed: 2018-02-28 06:20:19 Last Updated: 2019-09-20 07:09:52