An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways

John Bugler; Anne Rodriguez; Olivier Herbinet; Frédérique Battin-Leclerc; Casimir Togbé; Guillaume Dayma; Philippe Dagaut; Henry J. Curran

doi:10.1016/j.proci.2016.05.048

An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways

John Bugler, Anne Rodriguez, Olivier Herbinet, Frédérique Battin-Leclerc, Casimir Togbé, Guillaume Dayma, Philippe Dagaut, Henry J. Curran

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113 Citations (Scopus)

Abstract

Oxidation of n-pentane in two jet-stirred reactor was studied at 1 and 10 atm 500-1100 K and equiv alence ratios of 0.3:1-2:1. A model was proposed which can predict shock tube and rapid compression machine ignition delay times jet-stirred reactor species concentration profiles and laminar burning velocities. There was excellent agreement between experimentally-observed formaldehyde concentrations at 1 atm detected using both GC and cw -CRDS techniques. Model simulations slightly overpredicted 2-pentene concentrations at 10 atm but the overprediction was far more extreme at 1 atmo. However the relative experimentally- observed concentrations of 1- and 2-pentene were somewhat anomalous when compared at the different pressures.

Original language	English
Pages (from-to)	441-448
Number of pages	8
Journal	Proceedings of the Combustion Institute
Volume	36
Issue number	1
DOIs	https://doi.org/10.1016/j.proci.2016.05.048
Publication status	Published - 2017

Keywords

CRDS
Jet-stirred reactor
Kinetic modelling
Pentane
QRRK/MSC

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10.1016/j.proci.2016.05.048

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Bugler, J., Rodriguez, A., Herbinet, O., Battin-Leclerc, F., Togbé, C., Dayma, G., Dagaut, P., & Curran, H. J. (2017). An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways. Proceedings of the Combustion Institute, 36(1), 441-448. https://doi.org/10.1016/j.proci.2016.05.048

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title = "An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways",

abstract = "Oxidation of n-pentane in two jet-stirred reactor was studied at 1 and 10 atm 500-1100 K and equiv alence ratios of 0.3:1-2:1. A model was proposed which can predict shock tube and rapid compression machine ignition delay times jet-stirred reactor species concentration profiles and laminar burning velocities. There was excellent agreement between experimentally-observed formaldehyde concentrations at 1 atm detected using both GC and cw -CRDS techniques. Model simulations slightly overpredicted 2-pentene concentrations at 10 atm but the overprediction was far more extreme at 1 atmo. However the relative experimentally- observed concentrations of 1- and 2-pentene were somewhat anomalous when compared at the different pressures.",

keywords = "CRDS, Jet-stirred reactor, Kinetic modelling, Pentane, QRRK/MSC",

author = "John Bugler and Anne Rodriguez and Olivier Herbinet and Fr{\'e}d{\'e}rique Battin-Leclerc and Casimir Togb{\'e} and Guillaume Dayma and Philippe Dagaut and Curran, \{Henry J.\}",

year = "2017",

doi = "10.1016/j.proci.2016.05.048",

language = "English",

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Bugler, J, Rodriguez, A, Herbinet, O, Battin-Leclerc, F, Togbé, C, Dayma, G, Dagaut, P & Curran, HJ 2017, 'An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways', Proceedings of the Combustion Institute, vol. 36, no. 1, pp. 441-448. https://doi.org/10.1016/j.proci.2016.05.048

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 et al.
In: Proceedings of the Combustion Institute, Vol. 36, No. 1, 2017, p. 441-448.

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

TY - JOUR

T1 - An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors

T2 - The importance of pressure-dependent kinetics and new reaction pathways

AU - Bugler, John

AU - Rodriguez, Anne

AU - Herbinet, Olivier

AU - Battin-Leclerc, Frédérique

AU - Togbé, Casimir

AU - Dayma, Guillaume

AU - Dagaut, Philippe

AU - Curran, Henry J.

PY - 2017

Y1 - 2017

N2 - Oxidation of n-pentane in two jet-stirred reactor was studied at 1 and 10 atm 500-1100 K and equiv alence ratios of 0.3:1-2:1. A model was proposed which can predict shock tube and rapid compression machine ignition delay times jet-stirred reactor species concentration profiles and laminar burning velocities. There was excellent agreement between experimentally-observed formaldehyde concentrations at 1 atm detected using both GC and cw -CRDS techniques. Model simulations slightly overpredicted 2-pentene concentrations at 10 atm but the overprediction was far more extreme at 1 atmo. However the relative experimentally- observed concentrations of 1- and 2-pentene were somewhat anomalous when compared at the different pressures.

AB - Oxidation of n-pentane in two jet-stirred reactor was studied at 1 and 10 atm 500-1100 K and equiv alence ratios of 0.3:1-2:1. A model was proposed which can predict shock tube and rapid compression machine ignition delay times jet-stirred reactor species concentration profiles and laminar burning velocities. There was excellent agreement between experimentally-observed formaldehyde concentrations at 1 atm detected using both GC and cw -CRDS techniques. Model simulations slightly overpredicted 2-pentene concentrations at 10 atm but the overprediction was far more extreme at 1 atmo. However the relative experimentally- observed concentrations of 1- and 2-pentene were somewhat anomalous when compared at the different pressures.

KW - CRDS

KW - Jet-stirred reactor

KW - Kinetic modelling

KW - Pentane

KW - QRRK/MSC

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DO - 10.1016/j.proci.2016.05.048

M3 - Article

SN - 1540-7489

VL - 36

SP - 441

EP - 448

JO - Proceedings of the Combustion Institute

JF - Proceedings of the Combustion Institute

IS - 1

ER -

An experimental and modelling study of n-pentane oxidation in two jet-stirred reactors: The importance of pressure-dependent kinetics and new reaction pathways

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