Dimethyl Ether Autoignition in a Rapid Compression Machine: Experiments and Chemical Kinetic Modeling

Dimethyl ether (DME) autoignition at elevated pressures and relatively low temperatures is experimentally investigated using a rapid compression machine (RCM). DME/O2/N2 homogeneous mixtures are studied over an equivalence ratio range of 0.43–1.5 and at compressed pressures ranging from 10 to 20 bar and compressed temperatures from 615 to 735 K. At these conditions RCM results show the well-known two-stage ignition characteristics of DME and the negative temperature coefficient (NTC) region is noted to become more prominent at lower pressures and for oxygen lean mixtures. Furthermore, the first-stage ignition delay is found to be insensitive to changes in pressure and equivalence ratio. To help interpret the experimental results, chemical kinetic simulations of the ignition process are carried out using available detailed kinetic models and, in general, good agreement is obtained when using the model of Zhao et al. [Int. J. Chem. Kinet. 40, 2008, 1–18]. Sensitivity analyses are carried out to help identify important reactions. Lastly, while it is implicitly assumed in many rapid compression studies that chemical changes from the initial charge conditions that might occur during compression are negligible, it is herein shown with the help of Computational Singular Perturbation (CSP) analyses that chemical species formed during compression with little evolved exothermicity can considerably affect autoignition observations. Therefore, it is essential to simulate both compression and post-compression processes occurring in the RCM experiment, in order to properly interpret RCM ignition delay results.

[1]  John M. Simmie,et al.  The oxidation and ignition of dimethylether from low to high temperature (500–1600 K): Experiments and kinetic modeling , 1998 .

[2]  Dennis L. Siebers,et al.  Effects of Oxygenates on Soot Processes in DI Diesel Engines: Experiments and Numerical Simulations , 2003 .

[3]  A. Basu,et al.  Dimethyl ether: A fuel for the 21st century , 1997 .

[4]  Timothy J. Wallington,et al.  Experimental and Modeling Study of Premixed Atmospheric-Pressure Dimethyl Ether−Air Flames , 2000 .

[5]  Charles J. Mueller,et al.  The Quantification of Mixture Stoichiometry When Fuel Molecules Contain Oxidizer Elements or Oxidizer Molecules Contain Fuel Elements , 2005 .

[6]  F. Dryer,et al.  Thermal decomposition reaction and a comprehensive kinetic model of dimethyl ether , 2008 .

[7]  Vincent McDonell,et al.  New syngas/air ignition data at lower temperature and elevated pressure and comparison to current kinetics models , 2007 .

[8]  Marcos Chaos,et al.  Computational singular perturbation analysis of two-stage ignition of large hydrocarbons. , 2006, The journal of physical chemistry. A.

[9]  William J. Pitz,et al.  A WIDE RANGE MODELING STUDY OF DIMETHYL ETHER OXIDATION , 1997 .

[10]  Norimasa Iida,et al.  Auto-Ignition and Combustion of n-Butane and DME/Air Mixtures in a Homogeneous Charge Compression Ignition Engine , 2000 .

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

[12]  John M. Simmie,et al.  Discrepancies between shock tube and rapid compression machine ignition at low temperatures and high pressures , 2009 .

[13]  F. Dryer,et al.  High temperature ignition and combustion enhancement by dimethyl ether addition to methane–air mixtures☆ , 2007 .

[14]  Frederick L. Dryer,et al.  The reaction kinetics of dimethyl ether. II: Low‐temperature oxidation in flow reactors , 2000 .

[15]  Richard A. Yetter,et al.  Autoignition of H2/CO at elevated pressures in a rapid compression machine , 2006 .

[16]  R. Verbeek,et al.  Global Assessment of Dimethyl-Ether: Comparison with Other Fuels , 1997 .

[17]  J. Simmie,et al.  Burning velocities of dimethyl ether and air , 2001 .

[18]  Marcos Chaos,et al.  Ignition of syngas/air and hydrogen/air mixtures at low temperatures and high pressures : Experimental data interpretation and kinetic modeling implications , 2008 .

[19]  Chih-Jen Sung,et al.  Autoignition of Toluene and Benzene at Elevated Pressures in a Rapid Compression Machine , 2007 .

[20]  F. Dryer,et al.  Measurements of dimethyl ether/air mixture burning velocities by using particle image velocimetry , 2004 .

[21]  Frederick L. Dryer,et al.  The reaction kinetics of dimethyl ether. I: High‐temperature pyrolysis and oxidation in flow reactors , 2000 .

[22]  G. Adomeit,et al.  Self-ignition of diesel-relevant hydrocarbon-air mixtures under engine conditions , 1996 .

[23]  R. Borup,et al.  Dimethyl ether (DME) as an alternative fuel , 2006 .

[24]  T. Cool,et al.  A laser and molecular beam mass spectrometer study of low-pressure dimethyl ether flames , 2000 .

[25]  Y. Ju,et al.  Measurements of burning velocities of dimethyl ether and air premixed flames at elevated pressures , 2005 .

[26]  Marcos Chaos,et al.  Syngas Combustion Kinetics and Applications , 2008 .

[27]  Chih-Jen Sung,et al.  Aerodynamics inside a rapid compression machine , 2006 .

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

[29]  W. Leppard The Autoignition Chemistry of n-Butane: An Experimental Study , 1987 .

[30]  F. Dryer,et al.  A comprehensive kinetic mechanism for CO, CH2O, and CH3OH combustion , 2007 .

[31]  Bradley T. Zigler,et al.  An experimental investigation of the ignition properties of hydrogen and carbon monoxide mixtures for syngas turbine applications , 2007 .

[32]  J. C. Boettner,et al.  Chemical kinetic study of dimethylether oxidation in a jet stirred reactor from 1 to 10 ATM: Experiments and kinetic modeling , 1996 .

[33]  William J. Pitz,et al.  Extents of alkane combustion during rapid compression leading to single and two stage ignition , 1996 .

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

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

[36]  J. Sutherland,et al.  The thermodynamic state of the hot gas behind reflected shock waves: Implication to chemical kinetics† , 1986 .

[37]  P. R. Westmoreland,et al.  Photoionization mass spectrometry and modeling studies of the chemistry of fuel-rich dimethyl ether flames☆ , 2007 .

[38]  R. J. Kee,et al.  Chemkin-II : A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics , 1991 .

[39]  Daniele Cocco,et al.  Performance evaluation of chemically recuperated gas turbine (CRGT) power plants fuelled by di-methyl-ether (DME) , 2006 .

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

[41]  Chih-Jen Sung,et al.  A RAPID COMPRESSION MACHINE FOR CHEMICAL KINETICS STUDIES AT ELEVATED PRESSURES AND TEMPERATURES , 2007 .

[42]  S. H. Lam,et al.  Using CSP to Understand Complex Chemical Kinetics , 1993 .

[43]  C. Zinner Methane And Dimethyl Ether Oxidation At Elevated Temperatures And Pressure , 2008 .

[44]  C. Westbrook,et al.  Experimental and computational study of nonpremixed ignition of dimethyl ether in counterflow , 2004 .

[45]  J. T. Maleissye,et al.  The pyrolysis of organic hydroperoxides (ROOH) , 1992 .