A rapid compression facility study of OH time histories during iso-octane ignition

Abstract Iso-octane ignition delay times ( τ ign ) and hydroxyl (OH) radical mole fraction ( χ OH ) time histories were measured under conditions relevant to homogeneous charge compression ignition engine operating regimes using the University of Michigan rapid compression facility. Absolute quantitative OH mole fraction time histories were obtained using differential narrow-line laser absorption of the R 1 (5) line of the A 2 Σ + ← X 2 Π i ( 0 , 0 ) band of the OH spectrum ( ν 0 = 32606.56 cm −1 ). Ignition delay times were determined using pressure and OH data. Diluted iso-octane/argon/nitrogen/oxygen mixtures were used with fuel/oxygen equivalence ratios from ϕ = 0.25 to 0.6 for τ ign measurements and from ϕ = 0.25 to 0.35 for χ OH measurements. The pressures and temperatures after compression ranged from 8.5 to 15 atm and from 945 to 1020 K, respectively, for the combined τ ign and χ OH data. The maximum mole fraction of OH during ignition and the plateau value of OH after ignition are compared with model predictions using different iso-octane oxidation mechanisms. Sensitivity and rate of production analyses for OH identify reactions important in iso-octane ignition under these lean, intermediate-temperature conditions. The OH time histories show significant sensitivity to the OH + OH + M = H 2 O 2 + M, CH 3 + HO 2 = CH 3 O + OH, and CH 3 + HO 2 = CH 4 + O 2 reactions, which have rate coefficients with relatively high uncertainties. Improved predictions of the OH time histories can be achieved by modifying the rate coefficient for these reactions. The enthalpy of formation used for OH also has a significant effect on the predicted ignition delay times.

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

[2]  Bradley T. Zigler,et al.  Demonstration of a Free-Piston Rapid Compression Facility for the Study of High Temperature Combustion Phenomena , 2004 .

[3]  Xin He,et al.  An experimental and modeling study of iso-octane ignition delay times under homogeneous charge compression ignition conditions , 2005 .

[4]  Ronald K. Hanson,et al.  Reduced kinetics mechanisms for ram accelerator combustion , 1997 .

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

[6]  J. Herbon,et al.  Shock tube measurements of branched alkane ignition times and OH concentration time histories , 2003 .

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

[8]  Ronald K. Hanson,et al.  Shock tube ignition measurements of iso-octane/air and toluene/air at high pressures , 2005 .

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

[10]  Michael J. Pilling,et al.  Summary table of evaluated kinetic data for combustion modeling: Supplement 1 , 1994 .

[11]  John B. Heywood,et al.  Two-stage ignition in HCCI combustion and HCCI control by fuels and additives , 2003 .

[12]  M. Ribaucour,et al.  Autoignition Delays of a Series of Linear and Branched Chain Alkanes in the Intermediate Range of Temperature , 1996 .

[13]  Robert W. Dibble,et al.  Prediction of carbon monoxide and hydrocarbon emissions in iso-octane HCCI engine combustion using multizone simulations , 2002 .

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

[15]  Jeffrey A. Joens,et al.  The Dissociation Energy of OH(X 2 Π 3/2 ) and the Enthalpy of Formation of OH(X 2 Π 3/2 ), ClOH, and BrOH from Thermochemical Cycles , 2001 .

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

[17]  Kevin J. Hughes,et al.  The role and rate of hydrogen peroxide decomposition during hydrocarbon two-stage autoignition , 2005 .

[18]  Shigeyuki Tanaka,et al.  A reduced chemical kinetic model for HCCI combustion of primary reference fuels in a rapid compression machine , 2003 .

[19]  Song-Charng Kong,et al.  Numerical study of premixed HCCI engine combustion and its sensitivity to computational mesh and model uncertainties , 2003 .

[20]  Wing Tsang,et al.  Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds , 1986 .

[21]  William J. Pitz,et al.  Oxidation of automotive primary reference fuels at elevated pressures , 1999 .

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

[23]  M. Metghalchi,et al.  Burning Velocities of Mixtures of Air with Methanol, Isooctane, and Indolene at High Pressure and Temperature , 1982 .

[24]  D. W. Naegeli,et al.  High temperature oxidation of acetaldehyde , 1977 .

[25]  F. Dryer,et al.  Effect of dimethyl ether, NOx, and ethane on CH4 oxidation: High pressure, intermediate-temperature experiments and modeling , 1998 .

[26]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[27]  A. K. Oppenheim,et al.  Auto-ignition of hydrocarbons behind reflected shock waves , 1972 .

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

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

[30]  J. Troe,et al.  Specific rate constants k(E,J) and product state distributions in simple bond fission reactions. II. Application to HOOH→OH+OH , 1987 .

[31]  Miss A.O. Penney (b) , 1974, The New Yale Book of Quotations.

[32]  John E. Dec,et al.  A computational study of the effect of fuel type on ignition time in homogenous charge compression ignition engines , 2000 .

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