An evaluation of detailed reaction mechanisms for hydrogen combustion under gas turbine conditions

Abstract Chemical kinetics in hydrogen combustion for elevated pressures have recently become more relevant because of the implementation of hydrogen as a fuel in future gas turbine combustion applications, such as IGCC or IRCC systems. The aim of this study is to identify a reaction mechanism that accurately represents H 2 /O 2 kinetics over a large range of conditions, particularly at elevated pressures as present in a gas turbine combustor. Based on a literature review, six mechanisms of different research groups have been selected for further comparisons within this study. Reactor calculations of ignition delay times show that the mechanisms of Li et al. and O Conaire et al. yield the best agreement with data from shock tube experiments at pressures up to 33 bar. The investigation of one-dimensional laminar hydrogen flames indicate that these two mechanisms also yield the best agreement with experimental data of laminar flame speed, particularly for elevated pressures. The present study suggests that the Li mechanism is best suited for the prediction of H 2 /O 2 chemistry since it includes more up-to date data for the range of interest.

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

[2]  G. B. Skinner,et al.  Ignition Delays of a Hydrogen—Oxygen—Argon Mixture at Relatively Low Temperatures , 1965 .

[3]  C. Law,et al.  On the determination of laminar flame speeds from stretched flames , 1985 .

[4]  Zhenwei Zhao,et al.  An updated comprehensive kinetic model of hydrogen combustion , 2004 .

[5]  J. Hessler Calculation of reactive cross sections and microcanonical rates from kinetic and thermochemical Data. , 1998 .

[6]  J. Warnatz,et al.  Ignition processes in carbon-monoxide-hydrogen-oxygen mixtures , 1989 .

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

[8]  K. A. Bhaskaran,et al.  Shock tube study of the effect of unsymmetric dimethyl hydrazine on the ignition characteristics of hydrogen-air mixtures , 1973 .

[9]  Chung King Law,et al.  Morphology and burning rates of expanding spherical flames in H2/O2/inert mixtures up to 60 atmospheres , 2000 .

[10]  Forman A. Williams,et al.  HYDROGEN–OXYGEN INDUCTION TIMES ABOVE CROSSOVER TEMPERATURES , 2004 .

[11]  Michael Frenklach,et al.  GRI-MECH: An optimized detailed chemical reaction mechanism for methane combustion. Topical report, September 1992-August 1995 , 1995 .

[12]  Richard A. Yetter,et al.  New results on moist CO oxidation: high pressure, high temperature experiments and comprehensive kinetic modeling , 1994 .

[13]  Robert J. Kee,et al.  PREMIX :A F ORTRAN Program for Modeling Steady Laminar One-Dimensional Premixed Flames , 1998 .

[14]  Forman A. Williams,et al.  A numerical investigation of extinction and ignition limits in laminar nonpremixed counterflowing hydrogen-air streams for both elementary and reduced chemistry , 1995 .

[15]  F. Egolfopoulos,et al.  An optimized kinetic model of H2/CO combustion , 2005 .

[16]  C. Westbrook,et al.  Detailed and global chemical kinetics model for hydrogen , 1995 .

[17]  Hideaki Kobayashi,et al.  Laminar burning velocity of hydrogen-air premixed flames at elevated pressure , 2000 .

[18]  A. D. Skinner,et al.  Shock-tube studies of fuel-air ignition characteristics. Technical report, 1 April 1964-26 July 1965 , 1965 .

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

[20]  C. Westbrook,et al.  A comprehensive modeling study of hydrogen oxidation , 2004 .

[21]  V. Katta,et al.  Numerical studies on the structure of two-dimensional H2/air premixed jet flame☆ , 1995 .

[22]  Tiziano Faravelli,et al.  A wide-range modeling study of n-heptane oxidation , 1995 .

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

[24]  T. Cain Autoignition of hydrogen at high pressure , 1997 .

[25]  R. Yetter,et al.  Flow reactor studies and kinetic modeling of the H2/O2 reaction , 1999 .

[26]  Kendrick Aung,et al.  Effects of pressure and nitrogen dilution on flame/stretch interactions of laminar premixed H2/O2/N2 flames , 1998 .

[27]  Gerard M. Faeth,et al.  Flame/stretch interactions of premixed hydrogen-fueled flames: measurements and predictions , 2001 .

[28]  Richard A. Yetter,et al.  A Comprehensive Reaction Mechanism For Carbon Monoxide/Hydrogen/Oxygen Kinetics , 1991 .

[29]  K. Kuo Principles of combustion , 1986 .

[30]  M. W. Slack,et al.  Rate coefficient for H + O2 + M = HO2 + M evaluated from shock tube measurements of induction times , 1977 .

[31]  R. Lindstedt,et al.  Detailed Kinetic Modelling of Chemistry and Temperature Effects on Ammonia Oxidation , 1994 .

[32]  Joseph E. Shepherd,et al.  Validation of Detailed Reaction Mechanisms for Detonation Simulation , 2000 .

[33]  Roger R. Craig A SHOCK TUBE STUDY OF THE IGNITION DELAY OF HYDROGEN-AIR MIXTURES NEAR THE SECOND EXPLOSION LIMIT , 1966 .

[34]  James A. Miller,et al.  Kinetic modeling of hydrocarbon/nitric oxide interactions in a flow reactor , 1998 .