Try Mobilus Beta
Search tips
 This content is not included in your SAE MOBILUS subscription, or you are not logged in.

A Semi-Detailed Chemical Kinetic Mechanism of Acetone-Butanol-Ethanol (ABE) and Diesel Blends for Combustion Simulations

Journal Article
2016-01-0583
ISSN: 1946-3936, e-ISSN: 1946-3944
DOI: https://doi.org/10.4271/2016-01-0583
Published April 05, 2016 by SAE International in United States
A Semi-Detailed Chemical Kinetic Mechanism of Acetone-Butanol-Ethanol (ABE) and Diesel Blends for Combustion Simulations
Sector:
Citation: Zhang, S., Xu, Z., Lee, T., Lin, Y. et al., "A Semi-Detailed Chemical Kinetic Mechanism of Acetone-Butanol-Ethanol (ABE) and Diesel Blends for Combustion Simulations," SAE Int. J. Engines 9(1):631-640, 2016, https://doi.org/10.4271/2016-01-0583.
Language: English

References

  1. Sarathy , S.M. , Oßwald , P. , Hansen , N. , and Kohse-Höinghaus , K. Alcohol Combustion Chemistry Prog. Energy Combust. Sci. 44 40 102 2014 10.1016/j.pecs.2014.04.003
  2. Wu , H. , Huo , M. , Zhou , N. , Nithyanandan , K. et al. An Experimental Investigation of the Combustion Characteristics of Acetone-Butanol-Ethanol-Diesel Blends with Different ABE Component Ratios in a Constant Volume Chamber SAE Technical Paper 2014-01-1452 2014 10.4271/2014-01-1452
  3. Liu , H.F. , Lee , C.F. , Huo , M. , and Yao , M.F. Combustion characteristics and soot distributions of neat butanol and neat soybean biodiesel Energy Fuels 25 7 3192 3203 2011 10.1021/ef1017412
  4. Feng , X. , Huo , M. , Lee , C. , and Liu , H. The Effects of EGR and Injection Timing on the Engine Combustion and Emission Performances Fueled by Butanol-Diesel Blends SAE Int. J. Engines 5 3 794 811 2012 10.4271/2011-01-2473
  5. Rakopoulos , D.C. , Rakopoulos , C.D. , Hountalas , D.T. , Kakaras E.C. et al. Investigation of the performance and emissions of bus engine operating on butanol/diesel fuel blends Fuel 89 10 2781 2790 2010 10.1016/j.fuel.2010.03.047
  6. Liu , H.F. , Bi , X.J. , Huo , M. , Lee , C.F. et al. Soot emissions of various oxygenated biofuels in conventional diesel combustion and low-temperature combustion conditions Energy Fuels 26 3 1900 1911 2012 10.1021/ef201720d
  7. Erickson , B. , Nelson , J. E. , and Winters , P. Perspective on opportunities in industrial biotechnology in renewable chemicals Biotechnol. J. 7 2 176 185 2012 10.1002/biot.201100069
  8. Kumar S. , Cho J. H. , Park J. and Moon II Advances in diesel-alcohol blends and their effects on the performance and emissions of diesel engines Renew. Sustain. Energy Rev. 22 46 72 2013 10.1016/j.rser.2013.01.017
  9. Stranic I , Chase D P , Harmon J T et al Shock tube measurements of ignition delay times for the butanol isomers. Combustion and Flame 159.2 2012 516 527
  10. Letcher , T.M. , Heyward , C. , Wootton , S. , and Shuttleworth , B. Ternary phase diagrams for gasoline-water-alcohol mixtures Fuel 65 7 891 894 1986 10.1016/0016-2361(86)90192-4
  11. Dürre , P. Biobutanol: An attractive biofuel Biotechnol. J. 2 12 1525 1534 2007 10.1002/biot.200700168
  12. Richard , T.L. Challenges in scaling up biofuels infrastructure Science 329 793 796 2010 10.1126/science.1189139
  13. Ezeji , T.C. , Qureshi , N. , and Blaschek , H.P. Bioproduction of butanol from biomass: From genes to bioreactors Curr. Opin. Biotechnol 18 3 220 227 2007
  14. Qureshi , N. and Ezeji , T.C. Butanol, 'a superior biofuel' production from agricultural residues (renewable biomass): Recent progress in technology Biofuels, Bioprod. Biorefining 2 4 319 330 2008 10.1002/bbb.85
  15. Marszalek , J. and Kaminski , W.L. Efficiency of acetonebutanol-ethanol-water system separation by pervaporation Chem. Process Eng. 33 1 131 140 2012 10.2478/v10176-012-0012-3
  16. Lee , T. , Lin , Y. , Wu , H. , Meng , L. et al. Characterization Spray and Combustion Processes of Acetone-Butanol-Ethanol (ABE) in a Constant Volume Chamber SAE Technical Paper 2015-01-0919 2015 10.4271/2015-01-0919
  17. Chang , Y.C. , Lee , W.J. , Lin , S.L. , Wang , L.C. Green Energy: Water Containing Acetone-Butanol-Ethanol Diesel Blends Fueled in Diesel Engines Appl. Energy 109 182 191 2013 10.1016/j.apenergy.2013.03.086
  18. Wu , H. , Nithyanandan , K. , Li , B. , Lee T.H. et al. Investigation on spray and soot lift-off length of an ABE-diesel blend in a constant volume chamber with diesel engine conditions Proceedings of the ASME 2014 Internal Combustion Engine Division Fall Technical Conference, ICEF2014 October 19-22, 2014 Columbus, IN, USA 10.1115/ICEF2014-5645
  19. Wu , H. , Nithyanandan , K. , Lee T.H. , Lee , C.F. et al. Spray and Combustion Characteristics of Neat Acetone-Butanol-Ethanol (ABE), n-Butanol, and Diesel in a Constant Volume Chamber Energy Fuels 28 10 6380 6391 2014 10.1021/ef5013819
  20. Zhou , N. , Huo , M. , Wu , H. , Nithyanandan K. et al. Low temperature spray combustion of acetone-butanol-ethanol (ABE) and diesel blends Appl. Energy 117 104 115 2014 10.1016/j.apenergy.2013.11.035
  21. Nithyanandan , K. , Wu , H. , Huo , M. , and Lee , C. A Preliminary Investigation of the Performance and Emissions of a Port-Fuel Injected SI Engine Fueled with Acetone-Butanol-Ethanol (ABE) and Gasoline SAE Technical Paper 2014-01-1459 2014 10.4271/2014-01-1459
  22. Nithyanandan , K. , Zhang , J. , Yuqiang , L. , Wu , H. et al. Investigating the Impact of Acetone on the Performance and Emissions of Acetone-Butanol-Ethanol (ABE) and Gasoline Blends in an SI Engine SAE Technical Paper 2015-01-0909 2015 10.4271/2015-01-0909
  23. Zhang , J. , Nithyanandan , K. , Li , Y. , Lee , C. et al. Comparative Study of High-Alcohol-Content Gasoline Blends in an SI Engine SAE Technical Paper 2015-01-0891 2015 10.4271/2015-01-0891
  24. Wu , H. , Nithyanandan , K. , Zhou , N. , Lee , T. et al. Impacts of Acetone on the Spray Combustion of Acetone-Butanol-Ethanol (ABE)-Diesel Blends under low Ambient Temperature Fuel 142 109 116 2015 10.1016/j.fuel.2014.10.009
  25. Li , Y. , Nithyanandan , K. , Zhang , J. , Lee , C. et al. Combustion and Emissions Performance of a Spark Ignition Engine Fueled with Water Containing Acetone-Butanol-Ethanol and Gasoline Blends SAE Technical Paper 2015-01-0908 2015 10.4271/2015-01-0908
  26. Lee , T. , Lin , Y. , Wu , H. , Meng , L. et al. Characterization Spray and Combustion Processes of Acetone-Butanol-Ethanol (ABE) in a Constant Volume Chamber SAE Technical Paper 2015-01-0919 2015 10.4271/2015-01-0919
  27. Zhao , Z. , Xu , Z. , Liu , J. , Wang , M. et al. Experimental and Numerical Investigation of Soot Mechanism of Acetone-Butanol-Ethanol (ABE) with Various Oxygen Concentrations SAE Technical Paper 2015-01-0389 2015 10.4271/2015-01-0389
  28. Van Geem , K. , Cuoci , A. , Frassoldati , A. , Pyl , S. et al. An experimental and kinetic modeling study of pyrolysis and combustion of acetone-butanol-ethanol (ABE) mixtures Combust. Sci. Technol. 184 7-8 942 955 2012 10.1080/00102202.2012.663987
  29. Hoare , D.E. and Li T.M. The combustion of simple ketones IMechanism at 'low' temperatures Combust. Flame 12 2 136 144 1968 10.1016/0010-2180(68)90089-8
  30. Hoare , D.E. and Li T.M. The combustion of simple ketones IIMechanism at 'high' temperatures Combust. Flame 12 145 154 1968 10.1016/0010-2180(68)90090-4
  31. Hoare , D.E. and Lill D.E. Branching intermediates in the cool flames of acetaldehyde and simple ketones J. Chem. Soc. Faraday Trans. I 69 603 613 1973 10.1039/F19736900603
  32. Barnard , J.A. and Honeyman , T.W. The Gaseous Oxidation of Acetone. I. The High-Temperature Reaction Proc. R. Soc. London Ser. A 279 1377 236 247 1964 10.1098/rspa.1964.0101
  33. Barnard , J.A. and Honeyman , T.W. The Gaseous Oxidation of Acetone. II. The Low-Temperature Reaction Proc. R. Soc. London Ser. A 279 1377 248 259 1964 10.1098/rspa.1964.0101
  34. Tsuboi T. , Ishii K. , Tamura S. Nippon Kikai Gakkai Ronbunshu, B hen 67 2001 2797 2804
  35. Sato , K. and Hidaka , Y. Shock-tube and modeling study of acetone pyrolysis and oxidation Combust. Flame 122 3 291 311 2000 10.1016/S0010-2180(00)00121-8
  36. Chaos , M. , Zhao , Z. , Kazakov , A. , and Dryer , F.L. An Experimental and Kinetic Study of Acetone Oxidation in a Flow Reactor 31st Int. Symp. on Combust. Heidelberg 2006
  37. Gibbs , G.J. and Calcote , H.F. Effect of Molecular Structure on Burning Velocity J. Chem. Eng. Data 4 3 226 237 1959 10.1021/je60003a011
  38. Li , Y. , Wei , L. , Tian , Z. , Yang , B. et al. A comprehensive experimental study of low-pressure premixed C 3 -oxygenated hydrocarbon flames with tunable synchrotron photoionization Combust. Flame 152 3 336 359 2008 10.1016/j.combustflame.2007.10.012
  39. Pichon , S. , Black G. , Chaumeix N. , Yahyaoui , M. et al. The combustion chemistry of a fuel tracer: Measured flame speeds and ignition delays and a detailed chemical kinetic model for the oxidation of acetone Combust. Flame 156 2 494 504 2009 10.1016/j.combustflame.2008.10.001
  40. Alzueta , M.U. , Serinyel , Z. , Simmie , J. M. , and Curran H. J. Oxidation of Acetone and Its Interaction with Nitric Oxide Energy Fuels 24 1511 1520 2010 10.1021/ef9015284
  41. Rice , R.W. , Sanyal , A.K. , Elrod , A.C. , and Bata , R.M. Exhaust Gas Emissions of Butanol, Ethanol, and Methanol-Gasoline Blends J. Eng. Gas Turb. Power 113 3 377 381 1991 10.1115/1.2906241
  42. Miller , G.L. , Smith , J.L. , and Workman , J.P. Engine performance using butanol fuel blends Trans. ASAE 24 3 538 540
  43. Zhang , Y. and Boehman , A.L. Oxidation of 1-butanol and a mixture of n-heptane/1-butanol in a motored engine Combust. Flame 157 10 1816 1824 2010 10.1016/j.combustflame.2010.04.017
  44. Sarathy , S.M. , Thomson , M.J. , Togbé , C. , Dagaut , P. et al. An experimental and kinetic modeling study of n-butanol combustion Combust. Flame 156 4 852 864 2009 10.1016/j.combustflame.2008.11.019
  45. Moss , J.T. , Berkowitz , A.M. , Oehlschlaeger , M.A. , Biet , J. et al. An Experimental and Kinetic Modeling Study of the Oxidation of the Four Isomers of Butanol J. Phys. Chem. A 112 43 10843 10855 2008 10.1021/jp806464p
  46. Black , G. , Curran , H.J. , Pichon , S. , Simmie , J. et al. Biobutanol: Combustion properties and detailed chemical kinetic model Combust. Flame 157 2 363 373 2010 10.1016/j.combustflame.2009.07.007
  47. Grana , R. , Frassoldati , A. , Faravelli , T. , Niemann , U. et al. An experimental and kinetic modeling study of combustion of isomers of butanol Combust. Flame 157 11 2137 2154 2010 10.1016/j.combustflame.2010.05.009
  48. Harper , M.R. , Van Geem , K.M. , Pyl , S.P. , Marin , G.B. et al. Comprehensive Reaction Mechanism for n-Butanol Pyrolysis and Combustion Combust. Flame 158 1 16 41 2011 10.1016/j.combustflame.2010.06.002
  49. McEnally , C.S. and Pfefferle , L.D. Fuel decomposition and hydrocarbon growth processes for oxygenated hydrocarbons: butyl alcohols Proc. Combust. Inst. 30 1 1363 1370 2005 10.1016/j.proci.2004.07.033
  50. Dagaut , P. , Sarathy , S.M. , and Thomson , M.J. A chemical kinetic study of n-butanol oxidation at elevated pressure in a jet stirred reactor Proc. Combust. Inst. 32 1 229 237 2009
  51. Cancino , L.R. , Fikri , M. , Oliveira , A.A.M. , and Schulz , C. Measurement and Chemical Kinetics Modeling of Shock-Induced Ignition of Ethanol-Air Mixtures Energy Fuels 24 2830 2840 2010 10.1021/ef100076w
  52. Lee , C. , Vranckx , S. , Heufer , K.A. , Khomik , S.V. et al. On the Chemical Kinetics of Ethanol Oxidation: Shock Tube, Rapid Compression Machine and Detailed Modeling Study Int. j. res. phys. chem. chem. phys. 226 1 1 28 2012 10.1524/zpch.2012.0185
  53. Natarajan K , Bhaskaran K A. Experimental and analytical investigation of high temperature ignition of ethanol[R] Indian Inst. of Tech., Madras. Dept. of Mechanical Engineering 1981
  54. Dunphy , M.P. and Simmie , J.M. High-temperature oxidation of ethanol. Part 1.-Ignition delays in shock waves J. Chem. Soc., Faraday Trans. 87 1691 1696 1991
  55. Marinov N M. A detailed chemical kinetic model for high temperature ethanol oxidation[J] shock 1999 3 2 257 263
  56. Mehl , M. , Pitz , W.J. , Westbrook , C.K. , and Curran , H.J. Kinetic modeling of gasoline surrogate components and mixtures under engine conditions Proc. Combust. Ins. 33 1 193 200 2011 10.1016/j.proci.2010.05.027
  57. Curran , H.J. , Gaffuri , P. , Pitz , W.J. , and Westbrook , C.K. A Comprehensive Modeling Study of n-Heptane Oxidation Combust. Flame 114 1-2 149 177 1998 10.1016/S0010-2180(97)00282-4
  58. Minetti , R. , Carlier , M. , Ribaucour , M. , Therssen , E. et al. A rapid compression machine investigation of oxidation and autoignition of n-Heptane: Measurements and modeling Combust. Flame 102 3 298 309 1995
  59. Sakai , Y. , Miyoshi , A. , Koshi , M. , and Pitz , W.J. A kinetic modeling study on the oxidation of primary reference fuel toluene mixtures including cross reactions between aromatics and aliphatics Proc. Combust. Ins. 32 1 411 418 2009 10.1016/j.proci.2008.06.154
  60. Jerzembeck , S. , Peters , N. , Pepiotdesjardins , P. , and Pitsch , H. Laminar burning velocities at high pressure for primary reference fuels and gasoline: Experimental and numerical investigation Combust. Flame 156 2 292 301 2009 10.1016/j.combustflame.2008.11.009
  61. Mittal , G. and Sung , C.J. Auto ignition of toluene and benzene at elevated pressures in a rapid compression machine Combust. Flame 150 4 355 368 2007 10.1016/j.combustflame.2007.04.014
  62. Xu , Z. , Zhao , Z. , Li , J. , Wang , M. et al. A Reduced Chemical Kinetic Mechanism of Toluene Reference Fuel (toluene/nheptane) for Diesel Engine Combustion Simulations SAE Technical Paper 2015-01-0387 2015 10.4271/2015-01-0387
  63. Mittal G , Burke S M , Davies V A et al. Autoignition of ethanol in a rapid compression machine Combustion and Flame 2014 161 5 1164 1171
  64. Weber B W , Kumar K , Zhang Y et al. Autoignition of nbutanol at elevated pressure and low-to-intermediate temperature[J] Combustion and Flame 2011 158 5 809 819
  65. Gauthier B M , Davidson D F , Hanson R K Shock tube determination of ignition delay times in full-blend and surrogate fuel mixtures[J] Combustion and Flame 2004 139 4 300 311
  66. Amsden , A. A. Kiva-3v, release 2, improvements to kiva-3v Los Alamos National Laboratory LA-13608-MS 1999

Cited By