Journal ArticleDOI
The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene
Yang Li,Chong-Wen Zhou,Kieran P. Somers,Kuiwen Zhang,Henry J. Curran +4 more
- Vol. 36, Iss: 1, pp 403-411
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TLDR
In this paper, the authors thank the entire group members at Combustion Chemistry Centre for helpful discussions, which was supported by Saudi Aramco under the FUELCOM program.Abstract:
The authors thank the entire group members at Combustion Chemistry Centre for helpful discussions. This work at NUI Galway was supported by Saudi Aramco under the FUELCOM program.read more
Citations
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Journal ArticleDOI
An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements
Chong-Wen Zhou,Chong-Wen Zhou,Yang Li,Ultan Burke,Colin Banyon,Kieran P. Somers,Shuiting Ding,Saadat Khan,Joshua W. Hargis,Travis Sikes,Olivier Mathieu,Eric L. Petersen,Mohammed AlAbbad,Aamir Farooq,Youshun Pan,Yingjia Zhang,Zuohua Huang,Joseph Lopez,Zachary Loparo,Subith Vasu,Henry J. Curran +20 more
TL;DR: AramcoMech 3.0 has been developed to describe the combustion of 1,3-butadiene and is validated by a comparison of simulation results to the new experimental measurements.
Journal ArticleDOI
An updated experimental and kinetic modeling study of n-heptane oxidation
Kuiwen Zhang,Colin Banyon,John Bugler,Henry J. Curran,Anne Rodriguez,Olivier Herbinet,Frédérique Battin-Leclerc,Christine B'Chir,Karl Alexander Heufer +8 more
TL;DR: In this paper, an experimental and kinetic modeling study of n-heptane oxidation is presented, which is consistent with those from the literature at similar conditions and extend the current data base describing n-hexane oxidation.
Journal ArticleDOI
A comprehensive experimental and modeling study of isobutene oxidation
Chong-Wen Zhou,Yang Li,Eoin O'Connor,Kieran P. Somers,Sébastien Thion,Charles L. Keesee,Olivier Mathieu,Eric L. Petersen,Trent A. DeVerter,Matthew A. Oehlschlaeger,Goutham Kukkadapu,Chih-Jen Sung,Majed A. Alrefae,Fethi Khaled,Aamir Farooq,Patricia Dirrenberger,Pierre-Alexandre Glaude,Frédérique Battin-Leclerc,Jeffrey Santner,Yiguang Ju,Timothy James Held,Francis M. Haas,Frederick L. Dryer,Henry J. Curran +23 more
TL;DR: The work at NUI Galway was supported by Saudi Aramco under the FUELCOM program as discussed by the authors, and the collaboration between NUIGalway and LRGP entered in the frame the COST Action CM1404.
Journal ArticleDOI
Developing detailed chemical kinetic mechanisms for fuel combustion
TL;DR: In this paper, the authors acknowledge the help and feedback of Kieran Somers, Ultan Burke, William Pitz, Charles Westbrook, Tiziano Faravelli and Stephen Klippenstein in preparing some figures.
Journal ArticleDOI
H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidation
TL;DR: In this study the POLIMI kinetic model is first updated based on the literature and on recent kinetic modelling studies of toluene pyrolysis and oxidation, and important reaction pathways are investigated by means of high-level theoretical methods, thereby advancing the present knowledge on toLUene oxidation.
References
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A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels
TL;DR: In this paper, a detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species, such as formaldehyde, methanol, acetaldehyde, and ethanol.
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Ab initio total atomization energies of small molecules — towards the basis set limit
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An experimental and detailed chemical kinetic modeling study of hydrogen and syngas mixture oxidation at elevated pressures
Alan Keromnes,Wayne K. Metcalfe,Karl Alexander Heufer,Nicola Donohoe,Apurba K. Das,Apurba K. Das,Chih-Jen Sung,Jürgen Herzler,Clemens Naumann,Peter Griebel,Olivier Mathieu,Michael Krejci,Eric L. Petersen,William J. Pitz,Henry J. Curran +14 more
TL;DR: In this paper, a detailed chemical kinetic mechanism for hydrogen and H2/CO (syngas) mixtures has been updated, rate constants have been adjusted to reflect new experimental information obtained at high pressures and new rate constant values recently published in the literature, and good agreement was observed.
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THERM: Thermodynamic property estimation for gas phase radicals and molecules
TL;DR: THERM as discussed by the authors is a computer code for an IBM PC/XT/AT or compatible which can be used to estimate, edit, or enter thermodynamic property data for gas phase radicals and molecules using Benson's group additivity method.
Journal ArticleDOI
A comprehensive experimental and modeling study of isobutene oxidation
Chong-Wen Zhou,Yang Li,Eoin O'Connor,Kieran P. Somers,Sébastien Thion,Charles L. Keesee,Olivier Mathieu,Eric L. Petersen,Trent A. DeVerter,Matthew A. Oehlschlaeger,Goutham Kukkadapu,Chih-Jen Sung,Majed A. Alrefae,Fethi Khaled,Aamir Farooq,Patricia Dirrenberger,Pierre-Alexandre Glaude,Frédérique Battin-Leclerc,Jeffrey Santner,Yiguang Ju,Timothy James Held,Francis M. Haas,Frederick L. Dryer,Henry J. Curran +23 more
TL;DR: The work at NUI Galway was supported by Saudi Aramco under the FUELCOM program as discussed by the authors, and the collaboration between NUIGalway and LRGP entered in the frame the COST Action CM1404.
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