Detailed chemical kinetic models for the combustion of hydrocarbon fuels

Abstract The status of detailed chemical kinetic models for the intermediate to high-temperature oxidation, ignition, combustion of hydrocarbons is reviewed in conjunction with the experiments that validate them. All classes of hydrocarbons are covered including linear and cyclic alkanes, alkenes, alkynes as well as aromatics.

[1]  A. Ristori,et al.  The oxidation of n-Hexadecane: experimental and detailed kinetic modeling , 2001 .

[2]  Forman A. Williams,et al.  Chemical-kinetic descriptions of high-temperature ignition and detonation of acetylene-oxygen-diluent systems , 2001 .

[3]  Tamás Turányi,et al.  Effect of the uncertainty of kinetic and thermodynamic data on methane flame simulation results , 2002 .

[4]  V. Warth,et al.  Computer-Aided Derivation of Gas-Phase Oxidation Mechanisms: Application to the Modeling of the Oxidation of n-Butane , 1998 .

[5]  Alexander Burcat,et al.  2-Methyl-pentane ignition kinetics in a shock-tube , 1999 .

[6]  Michael Frenklach,et al.  Optimization and analysis of large chemical kinetic mechanisms using the solution mapping method—combustion of methane , 1992 .

[7]  Epaminondas Mastorakos,et al.  Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data , 1999 .

[8]  John M. Simmie,et al.  The ignition and oxidation of allene and propyne: Experiments and kinetic modeling , 1996 .

[9]  M. Z. Haq,et al.  Laminar burning velocity and Markstein lengths of methane–air mixtures , 2000 .

[10]  P. Dagaut,et al.  Benzene Oxidation: Experimental Results in a JDR and Comprehensive Kinetic Modeling in JSR, Shock-Tube and Flame , 2001 .

[11]  R. Minetti,et al.  Autoignition of n-pentane and 1-pentene: Experimental data and kinetic modeling , 1998 .

[12]  K. S. Shin,et al.  Shock Tube and Modeling Study of the Ignition of Propane , 2001 .

[13]  Y. Simon,et al.  ETUDES DES REACTIONS D'OXYDATION DU N-HEPTANE ET DE L'ISOOCTANE , 1996 .

[14]  R. Bounaceur,et al.  Up to what temperature is petroleum stable? New insights from a 5200 free radical reactions model , 2002 .

[15]  Pierre-Alexandre Glaude,et al.  Computer-aided design of gas-phase oxidation mechanisms—Application to the modeling of n-heptane and iso-octane oxidation , 1996 .

[16]  P. Dagaut,et al.  Reduction of NO by n-butane in a JSR : Experiments and kinetic modeling , 2000 .

[17]  P. Glaude,et al.  Experimental and modeling study of the oxidation of 1-butyne and 2-butyne , 2002 .

[18]  Olaf Deutschmann,et al.  Three-dimensional modeling with Monte Carlo-probability density function methods and laser diagnostics of the combustion in a two-stroke engine , 2000 .

[19]  Nicholas P. Cernansky,et al.  A flow reactor study of neopentane oxidation at 8 atmospheres: experiments and modeling , 1999 .

[20]  Jack B. Howard,et al.  Formation and consumption of single-ring aromatic hydrocarbons and their precursors in premixed acetylene, ethylene and benzene flames , 2002 .

[21]  R. P. Lindstedt,et al.  DETAILED KINETIC MODELLING OF N-HEPTANE COMBUSTION , 1995 .

[22]  P. Savage,et al.  Kinetics and mechanism of methane oxidation in supercritical water , 1998 .

[23]  D. Gutman,et al.  Chemical Kinetic Modeling of Fuel-Rich CH3Cl/CH4/O2/Ar Flames , 1988 .

[24]  Geraint O. Thomas,et al.  The auto-ignition of propane at intermediate temperatures and high pressures , 2000 .

[25]  Christian Vovelle,et al.  Detailed Reaction Mechanisms for Low Pressure Premixed n-Heptane Flames , 1999 .

[26]  Irvin Glassman,et al.  Benzene oxidation perturbed by NO2 addition , 1989 .

[27]  Jack B. Howard,et al.  Formation of polycyclic aromatic hydrocarbons and their growth to soot—a review of chemical reaction pathways , 2000 .

[28]  Charles K. Westbrook,et al.  An intermediate temperature modeling study of the combustion of neopentane , 1995 .

[29]  James A. Miller,et al.  Mechanism and modeling of nitrogen chemistry in combustion , 1989 .

[30]  C. Westbrook,et al.  Shock tube ignition of ethanol, isobutene and MTBE: Experiments and modeling , 1992 .

[31]  H. Kawano,et al.  Thermal decomposition of 1‐butyne in shock waves , 1995 .

[32]  Michael Frenklach,et al.  Reaction mechanism of soot formation in flames , 2002 .

[33]  H. F. Calcote,et al.  Effect of Molecular Structure on Burning Velocity. , 1959 .

[34]  D. B. Smith,et al.  A comparative study of methane and ethane flame chemistry by experiment and detailed modelling , 1988 .

[35]  W H Hauthal Advances with supercritical fluids. , 2001, Chemosphere.

[36]  J. Bozzelli,et al.  Thermochemical and Kinetic Analysis of the H, OH, HO2, O, and O2 Association Reactions with Cyclopentadienyl Radical , 1998 .

[37]  T. Just,et al.  A shock tube study on the thermal decomposition of toluene and of the phenyl radical at high temperatures , 1989 .

[38]  H. Curran,et al.  The Lean Oxidation of Iso-Octane in the Intermediate Temperature Regime at Elevated Pressures , 2000 .

[39]  David E. Keyes,et al.  A Comparison Between Numerical Calculations and Experimental Measurements of the Structure of a Counterflow Methane-Air Diffusion Flame , 1987 .

[40]  William R. Leppard,et al.  A Comparison of Olefin and Paraffin Autoignition chemistries: A Motored-Engine Study , 1989 .

[41]  D. Bradley,et al.  The measurement of laminar burning velocities and Markstein numbers for iso-octane-air and iso-octane-n-heptane-air mixtures at elevated temperatures and pressures in an explosion bomb , 1998 .

[42]  Anthony J. Marchese,et al.  A Semi-Empirical Reaction Mechanism for n-Heptane Oxidation and Pyrolysis , 1997 .

[43]  Pierre-Alexandre Glaude,et al.  Computer Based Generation of Reaction Mechanisms for Gas-phase Oxidation , 2000, Comput. Chem..

[44]  N. Cernansky,et al.  An Experimental Study of Propene Oxidation at Low and intermediate Temperatures , 1987 .

[45]  M. Cathonnet,et al.  Experimental and Kinetic Modeling Study of Cyclohexane Oxidation in a JSR at High Pressure , 1998 .

[46]  R. Hanson,et al.  Kinetics modeling of shock-induced ignition in low-dilution CH4/O2 mixtures at high pressures and intermediate temperatures , 1999 .

[47]  Tiziano Faravelli,et al.  A wide-range modeling study of iso-octane oxidation , 1997 .

[48]  Philippe Dagaut,et al.  High pressure oxidation of normal decane and kerosene in dilute conditions from low to high temperature , 1995 .

[49]  Frédérique Battin-Leclerc,et al.  Development of kinetic models for the formation and degradation of unsaturated hydrocarbons at high temperature , 2002 .

[50]  William J. Pitz,et al.  The effects of pressure, temperature, and concentration on the reactivity of alkanes: Experiments and modeling in a rapid compression machine , 1998 .

[51]  J. C. Boettner,et al.  Kinetic study of n‐heptane oxidation , 1992 .

[52]  Jürgen Warnatz,et al.  Experimental and computational investigation of the structure of a sooting C2H2-O2-Ar flame , 1989 .

[53]  Daniel J. Seery,et al.  An experimental and analytical study of methane oxidation behind shock waves , 1970 .

[54]  G. B. Kistiakowsky,et al.  Oxidation and Pyrolysis of Ethylene in Shock Waves , 1967 .

[55]  J. Longwell,et al.  Formation mechanisms of aromatic compounds in aliphatic flames , 1984 .

[56]  W. H. Hauthal,et al.  Advances with supercritical fluids [review] , 2001 .

[57]  Peter Frank,et al.  Experimental and Numerical Study of n-Decane , 2003 .

[58]  Leonardo Tognotti,et al.  CFD+reactor network analysis: an integrated methodology for the modeling and optimisation of industrial systems for energy saving and pollution reduction , 2002 .

[59]  Oleksiy V. Klymenko,et al.  'Kinfitsim' - A Software to Fit Kinetic Data to a User Selected Mechanism , 2002, Comput. Chem..

[60]  C. Sung,et al.  Structure and sooting limits in counterflow methane/air and propane/air diffusion flames from 1 to 5 atmospheres , 1998 .

[61]  William J. Pitz,et al.  Ignition of Isomers of Pentane: An Experimental and Kinetic Modeling Study , 2000 .

[62]  Branko Ruscic,et al.  On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl , 2002 .

[63]  A. Ristori,et al.  Oxidation, ignition and combustion of toluene: Experimental and detailed chemical kinetic modeling , 2002 .

[64]  Jürgen Warnatz,et al.  The structure of laminar alkane-, alkene-, and acetylene flames , 1981 .

[65]  Tiziano Faravelli,et al.  Experimental data and kinetic modeling of primary reference fuel mixtures , 1996 .

[66]  Alan Williams,et al.  The use of expanding spherical flames to determine burning velocities and stretch effects in hydrogen/air mixtures , 1991 .

[67]  James A. Miller,et al.  The Oxidation of Allene in a Low-Pressure H2 / O2 / Ar-C3 H4 Flame , 1995 .

[68]  N. Cernansky,et al.  Chemical kinetic modeling of high-pressure propane oxidation and comparison to experimental results , 1996 .

[69]  M. Cathonnet,et al.  Experimental study and kinetic modeling of higher hydrocarbon oxidation in a jet-stirred flow reactor , 1992 .

[70]  Pierre-Alexandre Glaude,et al.  Modeling of the oxidation of n-octane and n-decane using an automatic generation of mechanisms , 1998 .

[71]  Alexander Burcat,et al.  Kinetics of Hexane Combustion in a Shock Tube , 1996 .

[72]  Robert J. Kee,et al.  Chemical Kinetics and Combustion Modeling , 1990 .

[73]  Chung King Law,et al.  An experimental and kinetic modeling study of propyne oxidation , 1998 .

[74]  William J. Pitz,et al.  Chemical kinetic modeling study of shock tube ignition of heptane isomers , 2001 .

[75]  R. Ravikumar,et al.  Unition Delay of Methane in Reflected Shock Waves , 1980 .

[76]  Phillip R. Westmoreland,et al.  Modeling ethylene combustion from low to high pressure , 2002 .

[77]  P. Gaffuri,et al.  Chemical kinetic modelling of hydrocarbon ignition , 1995 .

[78]  P. Dagaut,et al.  Chemical kinetic modeling of the supercritical water oxidation of simple fuels: H2, CO and CH4 , 1995 .

[79]  W. C. Gardiner Gas-phase combustion chemistry , 2000 .

[80]  Marco J. Castaldi,et al.  Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Laminar Premixed n-Butane Flame , 1998 .

[81]  K. M. Leung,et al.  Detailed Kinetic Modeling of C, - C, Alkane Diffusion Flames , 1995 .

[82]  Pierre-Alexandre Glaude,et al.  The gas-phase oxidation of n-hexadecane , 2001 .

[83]  Craig A. Taatjes,et al.  Infrared Frequency-Modulation Probing of Product Formation in Alkyl + O2 Reactions: II. The Reaction of C3H7 with O2 between 296 and 683 K , 2000 .

[84]  A. E. Bakali,et al.  Experimental Study of 1 Atmosphere, Rich, Premixed n-heptane and iso-octane Flames , 1998 .

[85]  Y. Hidaka,et al.  Shock-tube and modeling study of ethylene pyrolysis and oxidation , 1999 .

[86]  D. Assanis,et al.  Multi-Dimensional Modeling of Natural Gas Autoignition using Detailed Chemical Kinetics , 2001 .

[87]  P. Dagaut,et al.  Kinetics of oxidation of a LPG blend mixture in a JSR: experimental and modeling study☆ , 2003 .

[88]  H. Kawano,et al.  Thermal Isomerization and Decomposition of 2-Butyne in Shock Waves , 1993 .

[89]  J. Herbon,et al.  Shock tube measurements of JP-10 ignition , 2000 .

[90]  P. Lindstedt Modeling of the chemical complexities of flames , 1998 .

[91]  Ronald K. Hanson,et al.  Study of the High-Temperature Autoignition of n-Alkane/O/Ar Mixtures , 2002 .

[92]  Hai Wang,et al.  ON INITIATION REACTIONS OF ACETYLENE OXIDATION IN SHOCK TUBES A QUANTUM MECHANICAL AND KINETIC MODELING STUDY , 1999 .

[93]  Paul I. Barton,et al.  On upgrading the numerics in combustion chemistry codes , 2002 .

[94]  P. Dagaut,et al.  Experimental and kinetic modeling of the reduction of NO by isobutane in a Jsr at 1 atm , 2000 .

[95]  Jean-Louis Delfau,et al.  Experimental Study of the Chemical Structure of Low-Pressure Premixed n>Heptane-02-Ar and lso-Octane-02-Ar Flames , 1997 .

[96]  F. Battin‐Leclerc,et al.  Experimental and modeling study of the oxidation of isobutene , 1998 .

[97]  Andrew E. Lutz,et al.  Chemical kinetic modeling of a methane opposed flow diffusion flame and comparison to experiments , 1998 .

[98]  Jung G. Kang,et al.  Ignition Delay Times in $C_2H_2-O_2$ -Ar Mixture behind a Reflected Shock Wave , 1997 .

[99]  H. Jinno,et al.  Combustion Reactions in Methane–Air Premixed Flames , 1991 .

[100]  Louis J. Spadaccini,et al.  Scramjet Fuels Autoignition Study , 2001 .

[101]  C. Bamford,et al.  Comprehensive Chemical Kinetics , 1976 .

[102]  Charles K. Westbrook,et al.  Chemical kinetics of hydrocarbon ignition in practical combustion systems , 2000 .

[103]  Kevin J. Hughes,et al.  Development and testing of a comprehensive chemical mechanism for the oxidation of methane , 2001 .

[104]  Stu Borman Kinetics Plays Growing Role in Modeling Chemical Systems: Approach shows promise in studies of ozone depletion, tropospheric air pollution, high-energy chemistry, and other complex phenomena , 1989 .

[105]  J. Griffiths,et al.  Spontaneous ignition delays as a diagnostic of the propensity of alkanes to cause engine knock , 1997 .

[106]  L. Pfefferle,et al.  An experimental study of benzene oxidation at fuel-lean and stoichiometric equivalence ratio conditions , 1998 .

[107]  J. Herbon,et al.  OH concentration time histories in n‐alkane oxidation , 2001 .

[108]  Paul I. Barton,et al.  Computer Construction of Detailed Chemical Kinetic Models for Gas-Phase Reactors , 2001 .

[109]  J. Knox,et al.  Cool flame phenomena in the oxidation of ethane , 1954 .

[110]  Dmitry Davidenko,et al.  Kinetic Mechanism Validation and Numerical Simulation of Supersonic Combustion of Methane-Hydrogen Fuel , 2002 .

[111]  Marco J. Castaldi,et al.  Experimental and modeling investigation of aromatic and polycyclic aromatic hydrocarbon formation in a premixed ethylene flame , 1996 .

[112]  J. Roesler An experimental and two-dimensional modeling investigation of combustion chemistry in a laminar non-plug-flow reactor , 1998 .

[113]  N. Cernansky,et al.  The Oxidation of Propane at Low and Transition Temperatures , 1986 .

[114]  C. McEnally,et al.  Characterization of a coflowing methane/air non-premixed flame with computer modeling, rayleigh-raman imaging, and on-line mass spectrometry , 2000 .

[115]  P. Dagaut,et al.  A Kinetic Modeling Study of Propene Oxidation in JSR and Flame , 1992 .

[116]  T. Koike,et al.  Shock-tube and modeling study of diacetylene pyrolysis and oxidation , 2002 .

[117]  J. Kiefer,et al.  High-temperature pyrolysis of toluene , 1987 .

[118]  S. Niksa,et al.  Incorporating detailed reaction mechanisms into simulations of coal-nitrogen conversion in p.f. flames , 2002 .

[119]  Hai Wang A new mechanism for initiation of free-radical chain reactions during high-temperature, homogeneous oxidation of unsaturated hydrocarbons: Ethylene, propyne, and allene , 2001 .

[120]  James A. Miller,et al.  The effect of allene addition on the structure of a rich C2H2/O2/Ar flame☆ , 1996 .

[121]  Tiziano Faravelli,et al.  Low-temperature combustion: Automatic generation of primary oxidation reactions and lumping procedures , 1995 .

[122]  Chung King Law,et al.  Outward propagation, burning velocities, and chemical effects of methane flames up to 60 ATM , 2002 .

[123]  D. Bradley,et al.  A generalization of laminar burning velocities and volumetric heat release rates , 1991 .

[124]  James A. Miller,et al.  Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels , 1992 .

[125]  William J. Pitz,et al.  Detailed chemical kinetic reaction mechanisms for autoignition of isomers of heptane under rapid compression , 2002 .

[126]  Marshall B. Long,et al.  Computational and experimental study of OH and CH radicals in axisymmetric laminar diffusion flames , 1992 .

[127]  Fokion N. Egolfopoulos,et al.  Direct experimental determination of laminar flame speeds , 1998 .

[128]  Albert F. Wagner,et al.  The challenges of combustion for chemical theory , 2002 .

[129]  Chung King Law,et al.  Laminar flame speeds and oxidation kinetics of benene-air and toluene-air flames , 1996 .

[130]  I. McLean,et al.  The use of carbon monoxide/hydrogen burning velocities to examine the rate of the CO+OH reaction , 1994 .

[131]  Kendrick Aung,et al.  Flame stretch interactions of laminar premixed hydrogen/air flames at normal temperature and pressure , 1997 .

[132]  Hiroki Hoshikawa,et al.  Shock-tube and modeling study of ethane pyrolysis and oxidation , 2000 .

[133]  J. Olsson,et al.  Oxidation of n-Heptane in a Premixed Laminar Flame , 1999 .

[134]  K. Kimura,et al.  Shock tube and modeling study of ketene oxidation , 1996 .

[135]  René Fournet,et al.  Comprehensive mechanism for the gas-phase oxidation of propene , 2001 .

[136]  R. J. Locke,et al.  Laser-based flame species profile measurements: A comparison with flame model predictions , 1993 .

[137]  H. Pitsch,et al.  Detailed kinetic reaction mechanism for ignition and oxidation of α-methylnaphthalene , 1996 .

[138]  Jack B. Howard,et al.  Composition profiles and reaction mechanisms in a near-sooting premixed benzene/oxygen/argon flame , 1981 .

[139]  J. T. Mckinnon,et al.  ELEMENTARY REACTION MODELING OF HIGH-TEMPERATURE BENZENE COMBUSTION , 1995 .

[140]  N. Peters,et al.  Kinetic modelling of n-decane combustion and autoignition , 2001 .

[141]  J. Mackie,et al.  An Experimental and Modelling Study of Ignition Delays in Shock-Heated Ethane-Oxygen-Argon Mixtures Inhibited by 2H-Heptafluoropropane , 2001 .

[142]  Peter Glarborg,et al.  Experimental and kinetic modeling study of the oxidation of benzene , 2000 .

[143]  Philippe Dagaut,et al.  On the kinetics of hydrocarbons oxidation from natural gas to kerosene and diesel fuel , 2002 .

[144]  Chung King Law,et al.  Detailed kinetic modeling of 1,3‐butadiene oxidation at high temperatures , 2000 .

[145]  T. Ingham,et al.  Kinetic parameters for the initiation reaction RH+O2→R+HO2 , 1994 .

[146]  Yewen Tan,et al.  A detailed comprehensive kinetic model for benene oxidation using the recent kinetic results , 1996 .

[147]  Frédérique Battin-Leclerc,et al.  Experimental and modelling study of methane and ethane oxidation between 773 and 1573 K , 1995 .

[148]  J. C. Boettner,et al.  Kinetic study of 1-butene oxidation in a jet-stirred flow reactor , 1989 .

[149]  G. Adomeit,et al.  Self-ignition of S.I. engine model fuels: A shock tube investigation at high pressure ☆ , 1997 .

[150]  Ozer Igra,et al.  Chemical reactions in shock waves and detonations , 2001 .

[151]  P. Dagaut,et al.  The Oxidation of N-Propylcyclohexane: Experimental Results and Kinetic Modeling , 2001 .

[152]  W. Gardiner,et al.  Experimental and Modeling Study of the High‐Temperature Ignition of Methane and Methane Mixtures with Ethane and Propane , 1996 .

[153]  L. J. Spadaccini,et al.  Ignition delay characteristics of methane fuels , 1994 .

[154]  F. A. Williams,et al.  Ethylene Ignition and Detonation Chemistry, Part 1: Detailed Modeling and Experimental Comparison , 2002 .

[155]  Philippe Dagaut,et al.  High Pressure Oxidation of Liquid Fuels From Low to High Temperature. 1. n-Heptane and iso-Octane. , 1993 .

[156]  P. Dagaut,et al.  Oxidation and Ignition of Methane-Propane and Methane-Ethane-Propane Mixtures: Experiments and Modeling , 1994 .

[157]  C. Westbrook,et al.  Chemical kinetic modeling of hydrocarbon combustion , 1984 .

[158]  P. Dagaut,et al.  Kinetics of ethane oxidation , 1991 .

[159]  Katharina Kohse-Höinghaus,et al.  An experimental investigation of premixed fuel-rich lowpressure propene/oxygen/argon flames by laser spectroscopy and molecular-beam mass spectrometry , 1998 .

[160]  Nicholas P. Cernansky,et al.  Oxidation of n-butane : transition in the mechanism across the region of negative temperature coefficient , 1995 .

[161]  G. Adomeit,et al.  Shock-tube investigations on the self-ignition of hydrocarbon-air mixtures at high pressures , 1994 .

[162]  Tiziano Faravelli,et al.  Numerical problems in the solution of oxidation and combustion models , 2001 .

[163]  Experimental and Modelling Study of 1-Pentene Combustion at Fuel-Rich Conditions , 2001 .

[164]  F. A. Williams,et al.  Chemistry of JP-10 Ignition , 2001 .

[165]  Kazuo Takahashi,et al.  The Addition Effects of Methyl Halides on Ethane Ignition Behind Reflected Shock Waves , 1989 .

[166]  S. A. Tsyganov,et al.  Self-ignition of small-ring hydrocarbons behind reflected shock waves , 1993 .

[167]  C. Westbrook,et al.  A Comprehensive Modeling Study of n-Heptane Oxidation , 1998 .

[168]  O. Lemaire,et al.  Low-temperature oxidation and autoignition of cyclohexene: A modeling study , 2002 .

[169]  R. Minetti,et al.  High pressure auto-ignition and oxidation mechanisms of o-xylene, o-ethyltoluene, and n-butylbenzene between 600 and 900 K , 2000 .

[170]  J. Kiefer Some unusual aspects of unimolecular falloff of importance in combustion modeling , 1998 .

[171]  Marshall B. Long,et al.  Experimental and computational study of CH, CH*, and OH* in an axisymmetric laminar diffusion flame , 1998 .

[172]  Jean-Louis Delfau,et al.  Modeling of the Structure of a Premixed n-Decane Flame , 1997 .

[173]  Corin Segal,et al.  Ignition Delay for Jet Propellant 10/Air and Jet Propellant 10/High-Energy Density Fuel/Air Mixtures , 2003 .

[174]  F. Battin‐Leclerc,et al.  Experimental and modeling of oxidation of acetylene, propyne, allene and 1,3-butadiene , 1999 .

[175]  J. C. Boettner,et al.  Pyrolysis, oxidation and ignition of C1 and C2 hydrocarbons: experiments and modeling , 1995 .

[176]  Burak Atakan,et al.  Fuel-rich flame chemistry in low-pressure cyclopentene flames , 2000 .

[177]  F. Williams Detonation Chemistry: A Review , 2002 .

[178]  Leonardo Tognotti,et al.  An algorithm for extracting chemical reactor network models from cfd simulation of industrial combustion systems , 2002 .

[179]  C. Paillard,et al.  Low hydrocarbon mixtures ignition delay times investigation behind reflected shock waves , 2002 .

[180]  P. Frank,et al.  Detailed kinetic reaction mechanism for cyclohexane oxidation at pressure up to ten atmospheres , 2000 .

[181]  W. Gardiner,et al.  Measurement and modeling of shock-tube ignition delay for propene , 2001 .

[182]  R. Sumathi,et al.  A priori rate constants for kinetic modeling , 2002 .

[183]  R. Minetti,et al.  Oxidation and combustion of low alkylbenzenes at high pressure: Comparative reactivity and auto-ignition , 2000 .

[184]  S. Borman,et al.  Kinetics plays growing role in modelling complex chemical systems , 1989 .

[185]  Pierre-Alexandre Glaude,et al.  Oxidation of small alkenes at high temperature , 2002 .

[186]  Chung King Law,et al.  An augmented reduced mechanism for methane oxidation with comprehensive global parametric validation , 1998 .

[187]  P. Dagaut,et al.  SHORT COMMUNICATION High Pressure Oxidation of Liquid Fuels from Low to High Temperature. 3.n-Decane , 1994 .

[188]  U. Maas,et al.  ILDMs of higher hydrocarbons and the hierarchy of chemical kinetics , 2000 .

[189]  Peter Glarborg,et al.  Low temperature oxidation of methane: the influence of nitrogen oxides , 2000 .

[190]  M. Pilling Low-temperature combustion and autoignition , 1997 .

[191]  R. Zils,et al.  Kinetic study and modeling of the hetero‐homo‐geneous pyrolysis and oxidation of isobutane around 800 K. Part III. Pyrolysis‐oxidation in unpacked and in pbO‐coated packed Pyrex reactors , 1998 .

[192]  A. D’Anna,et al.  A kinetic model for the formation of aromatic hydrocarbons in premixed laminar flames , 1998 .

[193]  Ronald K. Hanson,et al.  A shock tube study of the enthalpy of formation of OH , 2002 .

[194]  G. Thomas,et al.  Experimental studies of shock-induced ignition and transition to detonation in ethylene and propane mixtures , 1999 .

[195]  R. Minetti,et al.  The low-temperature autoignition of alkylaromatics: Experimental study and modeling of the oxidation of n-butylbenzene , 2000 .

[196]  M. Frenklach,et al.  Ethane oxidation at elevated pressures in the intermediate temperature regime: Experiments and modeling , 1996 .

[197]  F. Egolfopoulos,et al.  An experimental and computational study of the burning rates of ultra-lean to moderately-rich H2/O2/N2 laminar flames with pressure variations , 1991 .

[198]  C. J. Jachimowski Chemical kinetic reaction mechanism for the combustion of propane , 1984 .

[199]  S. Davis,et al.  Propene pyrolysis and oxidation kinetics in a flow reactor and laminar flames , 1999 .

[200]  Y. Le Teuff,et al.  The UMIST database for astrochemistry , 2000 .

[201]  A. E. Bakali,et al.  Kinetic modeling of a rich, atmospheric pressure, premixed n-heptane/O2/N2 flame , 1999 .

[202]  Michael Frenklach,et al.  Shock-initiated ignition in methane-propane mixtures , 1984 .

[203]  Kenneth Brezinsky The high-temperature oxidation of aromatic hydrocarbons , 1982 .

[204]  James A. Miller,et al.  Exploring old and new benzene formation pathways in low-pressure premixed flames of aliphatic fuels , 2000 .

[205]  Tiziano Faravelli,et al.  Experimental formulation and kinetic model for JP-8 surrogate mixtures , 2002 .

[206]  C. Shaddix,et al.  Analysis of fuel decay routes in the high-temperature oxidation of 1-methylnaphthalene , 1997 .

[207]  L. Maurice,et al.  Thermodynamic and kinetic issues in the formation and oxidation of aromatic species. , 2001, Faraday discussions.

[208]  M. Allendorf,et al.  High-pressure single-pulse shock tube investigation of rich and stoichiometric ethane oxidation , 2002 .

[209]  M. Ribaucour,et al.  Comparison of oxidation and autoignition of the two primary reference fuels by rapid compression , 1996 .

[210]  Mohamed I. Hassan,et al.  Measured and predicted properties of laminar premixed methane/air flames at various pressures , 1998 .

[211]  J. Bozzelli,et al.  ab initio molecular orbital and density functional analysis of acetylene + O2 reactions with CHEMKIN evaluation , 2000 .

[212]  Stephen D. Klotz,et al.  Modeling the combustion of toluene-butane blends , 1998 .

[213]  M. Allendorf,et al.  High pressure, high temperature shock tube studies of ethane pyrolysis and oxidation , 2002 .

[214]  Y. H. Le Teuff,et al.  The UMIST database for astrochemistry 1999 , 2000 .

[215]  F. Egolfopoulos,et al.  Chain mechanisms in the overall reaction orders in laminar flame propagation , 1990 .

[216]  K. Radhakrishnan,et al.  High temperature oxidation of propene , 1985 .

[217]  A. Burcat,et al.  Detailed combustion kinetics of cyclopentadiene studied in a shock‐tube , 2001 .

[218]  P. Dagaut,et al.  Oxidation of neopentane in a jet-stirred reactor from 1 to 10 atm: an experimental and detailed kinetic modeling study , 1999 .

[219]  Ronald K. Hanson,et al.  SHOCK TUBE MEASUREMENTS OF ISO-OCTANE IGNITION TIMES AND OH CONCENTRATION TIME HISTORIES , 2002 .

[220]  W. Gardiner,et al.  Shock-tube study of the hydrogen-oxygen reaction , 1965 .

[221]  P. R. Westmoreland,et al.  Measured Flame Structure and Kinetics in a Fuel-Rich Ethylene Flame 1 1 This report was prepared as , 1998 .

[222]  M. Cathonnet Chemical Kinetic Modeling of Combustion from 1969 to 2019 , 1994 .

[223]  S. Davis,et al.  Laminar flame speeds and oxidation kinetics of iso-octane-air and n-heptane-air flames , 1998 .

[224]  James A. Miller Theory and modeling in combustion chemistry , 1996 .

[225]  Raghu Sivaramakrishnan,et al.  High-pressure, high-temperature oxidation of toluene , 2004 .

[226]  L. Delfosse,et al.  The negative temperature coefficient in the C2 to C13 hydrocarbon oxidation. I. Morphological results , 1979 .

[227]  Kenji Hattori,et al.  Shock-tube and modeling study of acetylene pyrolysis and oxidation , 1996 .

[228]  J. Bozzelli,et al.  Thermochemical Property, Pathway and Kinetic Analysis on the Reactions of Allylic Isobutenyl Radical with O2: an Elementary Reaction Mechanism for Isobutene Oxidation , 2000 .

[229]  L. Zappella,et al.  An experimental and kinetic modeling study of propyne and allene oxidation , 2000 .

[230]  R. Hanson,et al.  Ignition Delay Times of Ram Accelerator CH/O/Diluent Mixtures , 1999 .

[231]  H. Curran,et al.  Extinction and Autoignition of n-Heptane in Counterflow Configuration , 2000 .

[232]  George Stephanopoulos,et al.  Valid parameter range analyses for chemical reaction kinetic models , 2002 .

[233]  G. Skevis,et al.  Detailed kinetic modeling of premixed benzene flames , 1994 .

[234]  P. Dagaut,et al.  High Pressure Oxidation of Liquid Fuels from Low to High Temperature. 2. Mixtures of n-Heptane and iso-Octane , 1994 .

[235]  W. Green,et al.  Elementary Reaction Mechanism for Benzene Oxidation in Supercritical Water , 2000 .

[236]  P. Dagaut,et al.  Experimental and kinetic modeling study of the oxidation of n-propylbenzene , 2002 .

[237]  Y. Hidaka,et al.  Shock-tube and modeling study of methane pyrolysis and oxidation , 1999 .

[238]  P. Dagaut,et al.  Isobutene Oxidation and Ignition: Experimental and Detailed Kinetic Modeling Study , 1998 .

[239]  Vitali V. Lissianski,et al.  Combustion chemistry of propane: A case study of detailed reaction mechanism optimization , 2000 .

[240]  Maria Nehse,et al.  Kinetic modeling of the oxidation of large aliphatic hydrocarbons , 1996 .

[241]  Tiziano Faravelli,et al.  Lumping procedures in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures , 2001 .

[242]  P. Dagaut,et al.  The Oxidation of 1,3-Butadiene: Experimental Results and Kinetic Modeling , 1998 .

[243]  Philippe Dagaut,et al.  Experimental study of the oxidation of n-heptane in a jet stirred reactor from low to high temperature and pressures up to 40 atm , 1995 .

[244]  J. Herbon,et al.  SHOCK TUBE MEASUREMENTS OF ISO-OCTANE IGNITION TIMES AND OH CONCENTRATION TIME HISTORIES , 2002 .

[245]  K. Devriendt,et al.  Experimental and computational investigation of concentration profiles of C1-C4 hydrocarbon radicals and molecules in low-pressure C2H2/O/H atomic flames at 600 K , 1996 .

[246]  Mauro Valorani,et al.  Explicit time-scale splitting algorithm for stiff problems: auto-ignition of gaseous mixtures behind a steady shock , 2001 .

[247]  Chung King Law,et al.  Further considerations on the determination of laminar flame speeds with the counterflow twin-flame technique , 1994 .

[248]  Pierre-Alexandre Glaude,et al.  Modeling of the gas-phase oxidation of n-decane from 550 to 1600 K , 2000 .

[249]  J. Pauwels,et al.  Chemical structure of methane and ethane flames , 1999 .

[250]  H. Wagner,et al.  Homogeneous thermal oxidation of methane in reflected shock waves , 1975 .

[251]  A. K. Oppenheim,et al.  Autoignition in methanehydrogen mixtures , 1984 .

[252]  D. L. Miller,et al.  Experimental studies of propane oxidation through the negative temperature coefficient region at 10 and 15 atmospheres , 1994 .

[253]  R. P. Lindstedt,et al.  Detailed Kinetic Modelling of Toluene Combustion , 1996 .

[254]  C. Westbrook,et al.  A Comprehensive Modeling Study of iso-Octane Oxidation , 2002 .

[255]  K. Brezinsky,et al.  A Flow Reactor Study of the Oxidation of Iso-butylene and an Iso-butyleneln-octane Mixture , 1986 .

[256]  Jocelyn Luche,et al.  Reduction of NO by propane in a JSR at 1 atm: experimental and kinetic modeling , 2001 .

[257]  S. Davis,et al.  Determination of and Fuel Structure Effects on Laminar Flame Speeds of C1 to C8 Hydrocarbons , 1998 .

[258]  Chung King Law,et al.  Experimental and numerical determination of laminar flame speeds: Mixtures of C2-hydrocarbons with oxygen and nitrogen. (Reannouncement with new availability information) , 1990 .

[259]  D. Gutman,et al.  Kinetics of the reaction of ethyl radicals with molecular oxygen from 294 to 1002 K , 1984 .

[260]  A. Hamins,et al.  The structure of diffusion flames burning pure, binary, and ternary solutions of methanol, heptane, and toluene☆ , 1987 .

[261]  Frederick L. Dryer,et al.  Modeling concepts for larger carbon number alkanes: A partially reduced skeletal mechanism for n-decane oxidation and pyrolysis , 2000 .