Journal ArticleDOI
A Hierarchical and Comparative Kinetic Modeling Study of C1 − C2 Hydrocarbon and Oxygenated Fuels
TLDR
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.Abstract:
A detailed chemical kinetic mechanism has been developed to describe the oxidation of small hydrocarbon and oxygenated hydrocarbon species. The reactivity of these small fuels and intermediates is of critical importance in understanding and accurately describing the combustion characteristics, such as ignition delay time, flame speed, and emissions of practical fuels. The chosen rate expressions have been assembled through critical evaluation of the literature, with minimum optimization performed. The mechanism has been validated over a wide range of initial conditions and experimental devices, including flow reactor, shock tube, jet-stirred reactor, and flame studies. The current mechanism contains accurate kinetic descriptions for saturated and unsaturated hydrocarbons, namely methane, ethane, ethylene, and acetylene, and oxygenated species; formaldehyde, methanol, acetaldehyde, and ethanol.read more
Citations
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Journal ArticleDOI
Alcohol combustion chemistry
TL;DR: A detailed overview of recent results on alcohol combustion can be found in this paper, with a particular emphasis on butanols and other linear and branched members of the alcohol family, from methanol to hexanols.
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
Experimental and numerical study of the laminar burning velocity of CH4–NH3–air premixed flames
Ekenechukwu C. Okafor,Yuji Naito,Sophie Colson,Akinori Ichikawa,Taku Kudo,Akihiro Hayakawa,Hideaki Kobayashi +6 more
TL;DR: In this paper, the laminar burning velocity of premixed methane-ammonia-air mixtures were studied experimentally and numerically over a wide range of equivalence ratios and ammonia concentrations.
Journal ArticleDOI
Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels
Eliseo Ranzi,Alessio Frassoldati,Alessandro Stagni,Matteo Pelucchi,Alberto Cuoci,Tiziano Faravelli +5 more
TL;DR: In this paper, the authors use a reaction flux analysis to reduce the number of involved species by adopting a lumping approach, and then generate several skeletal mechanisms for typical surrogate mixtures, moving from pure n-heptane up to heavy diesel fuels.
Journal ArticleDOI
The oxidation of 2-butene: A high pressure ignition delay, kinetic modeling study and reactivity comparison with isobutene and 1-butene
TL;DR: 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.
References
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ReportDOI
Chemkin-II : A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics
Journal ArticleDOI
Mechanism and modeling of nitrogen chemistry in combustion
James A. Miller,Craig T. Bowman +1 more
TL;DR: In this article, the mechanisms and rate parameters for the gas-phase reactions of nitrogen compounds that are applicable to combustion-generated air pollution are discussed and illustrated by comparison of results from detailed kinetics calculations with experimental data.
Journal ArticleDOI
Simplified Reaction Mechanisms for the Oxidation of Hydrocarbon Fuels in Flames
TL;DR: In this paper, simplified reaction mechanisms for the oxidation of hydrocarbon fuels have been examined using a numerical laminar flame model, and a simple procedure to determine the best values for the reaction rate parameters is demonstrated.
Journal ArticleDOI
Evaluated Kinetic Data for Combustion Modelling
Donald L. Baulch,Carlos J. Cobos,Richard A. Cox,C. Esser,P. Frank,Th. Just,J. A. Kerr,Michael J. Pilling,Jürgen Troe,Raymond W. Walker,J. Warnatz +10 more
TL;DR: In this paper, the authors present a compilation of critically evaluated kinetic data on elementary homogeneous gas phase chemical reactions for use in modelling combustion processes Data sheets are presented for some 196 reactions each data sheet sets out relevant thermodynamic data, rate coefficient measurements, an assessment of the reliability of the data, references and recommended rate parameters Tables summarizing the preferred rate data are also given
Journal ArticleDOI
Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds
W. Tsang,R. F. Hampson +1 more
TL;DR: In this paper, the authors evaluated data on the kinetics and thermodynamic properties of species that are of importance in methanepyrolysis and combustion, including H, H2, O, O2, OH, HO2, CH2O, CH4, C2H6, HCHO, CO2, CO, HCO, CH3, CH5, CH6, CH7, CH8, CH9, CH10, CH11, CH12, CH13, CH14, CH15, CH16, CH17, CH