Numerical and experimental investigation of n-heptane autoignition in the ignition quality tester (IQT)

Energy and Fuels

Volumn 25, Issue 12, 2011, Pages 5562-5572

  Bogin Jr , Gregory E ^a   DeFilippo, Anthony ^b   Chen, J Y ^b   Chin, Gregory ^b   Luecke, Jon ^c   Ratcliff, Matthew A ^c   Zigler, Bradley T ^c   Dean, Anthony M ^a  

^a Department of Geology and Geological Engineering   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AUTO-IGNITION; CFD MODELS; CHAIN BRANCHING; CHEMICAL EFFECT; CHEMICAL MECHANISM; COMPRESSION IGNITION; COMPUTATIONAL FLUID DYNAMIC (CFD); CONE ANGLE; EQUIVALENCE RATIOS; EXPERIMENTAL INVESTIGATIONS; EXPERIMENTAL VALIDATIONS; FLOW OSCILLATIONS; FUEL DROPLETS; FUEL SPRAYS; GASPHASE; HETEROGENEOUS COMBUSTION; IGNITION DELAYS; IGNITION MODEL; IGNITION PROCESS; KINETIC MODELS; LOW-TEMPERATURE COMBUSTION; N-HEPTANES; PREMIXED; RAPID COMPRESSION MACHINE; SPRAY COMBUSTION;

COMPUTATIONAL FLUID DYNAMICS; DIESEL ENGINES; DIESEL FUELS; FUEL SYSTEMS; FUELS; HEPTANE; ISOMERS; KINETIC THEORY; KINETICS; OSCILLATING FLOW; REACTION KINETICS; THREE DIMENSIONAL;

IGNITION;

EID: 84859882901     PISSN: 08870624     EISSN: 15205029     Source Type: Journal    
DOI: 10.1021/ef201079g     Document Type: Article

References (65)

1. Wooldridge, M. S.; Walton, S. M.; He, X.; Zigler, B. T. Chemical Kinetics of Homogeneous Charge Compression Ignition and Other Low-Temperature Combustion Strategies. Proceedings of the 2006 Technical Meeting of the Central States Section of The Combustion Institute; Cleveland Ohio, May 21-23, 2006.
2. Letter Report on the Review of the Research Program of the FreedomCAR and Fuel Partnership, Phase 3, Committee on the Review of the Research Program of the FreedomCAR and Fuel Partnership, Phase 3, National Research Council, 2009.
3. Review of the 21st Century Truck Partnership,Committee to Review the 21st Century Truck Partnership, National Research Council, 2008.
4. Battin-Leclerc, F. Detailed Chemical Kinetic Models for Low-Temperature Combustion of Hydrocarbons with Application to Gasoline and Diesel Fuel Surrogates. Prog. Energy Combust. Sci. 2008, 34, 440-498.
5. Donovan, M. T.; He, X.; Zigler, B. T.; Palmer, T. R.; Wooldridge, M. S.; Atreya, A. Demonstration of a Free-Piston Rapid Compression Facility for the Study of High Temperature Combustion Phenomena. Combust. Flame 2004, 137, 351-365. (Pubitemid 38507576)
6. Würmel, J.; Simmie, J. M.; Curran, H. J. Studying the Chemistry of HCCI in Rapid Compression Machines. Int. J. Vehicle Design 2007, 44, 84-106. (Pubitemid 46797299)
7. Herzler, J.; Jerig, L.; Roth, P. Shock tube study of the ignition of lean n-heptane/air mixtures at intermediate temperatures and high pressures. Proc. Combust. Inst. 2005, 30, 1147-1153.
8. Davidson, D. F.; Haylett, D. R.; Hanson, R. K. Development of an aerosol shock tube for kinetic studies of low-vapor pressure fuels. Combust. Flame 2008, 155, 108-117.
9. Walton, S. M.; Perez, C.; Wooldridge, M. S. An Experimental Investigation of the Auto-Ignition Properties of Two C5 Esters: Methyl Butanoate and Butyl Methanoate. Proceedings of 2007 ASME International Mechanical Engineering Congress and Exposition; 2007; IMECE2007-41944.
10. Walton, S. M.; Wooldridge, M. S.; Westbrook, C. K. An Experimental Investigation of Structural Effects on the Auto-Ignition Properties of Two C5 Esters. Proc. Combust. Inst. 2009, 32, 255-262.
11. Gardiner, W. C., Jr.; Hikada, Y.; Tanzawa, T. Refractivity of combustion gases. Combust. Flame 1981, 40, 213-219.
12. Siebers, D. L. Ignition Delay Characteristics of Alternative Diesel Fuels: Implications on Cetane Number. Trans. SAE 1985, 94, 673-686.
13. Ryan, T., III; Stapper, B. Diesel Fuel Ignition Quality as Determined in a Constant Vol. Combustion Bomb; SAE International: Warrendale, PA, 1987; SAE Report No. 870586.
14. Naber, J. D.; Siebers, D. L. Effects of gas density and vaporization on penetration and dispersion of diesel sprays; SAE International: Warrendale, PA, 1996; SAE Paper 960034.
15. Espey, C.; Dec, J. E.; Litzinger, T. A.; Santavicca, D. A. Planar Laser Rayleigh Scattering for Quantitative Vapor-Fuel Imaging in a Diesel Jet. Combust. Flame 1997, 109, 65.
16. Higgins, B.; Siebers, D. L. Diesel-spray ignition and premixed burn behavior; SAE International: Warrendale, PA; 2000; SAE Paper 2000-01-0940.
17. Fielding, J.; Frank, J. H.; Kaiser, S. A.; Smooke, M. D.; Long, M. B. Polarized/Depolarized Rayleigh Scattering for Determining Fuel Concentrations in Flames. Proc. Combust. Inst. 2002, 29, 2703-2709.
18. Mueller, C. J.; Pitz, W. J.; Pickett, L. M.; Martin, G. C.; Siebers, D. L.; Westbrook, C. K. Effects of oxygenates on soot processes in DI diesel engines: Experimental and numerical simulations; SAE International: Warrendale, PA, 2003; SAE Paper 2003-01-1791.
19. Yates, D. B. A.; Viljoen, C. L.; Swarts,A. Understanding the Relation Between Cetane Number and Combustion Bomb Ignition Delay Measurements; SAE International: Warrendale, PA, 2004; SAE 2004-01-2017.
20. Musculus, M. B. P.; Lachaux, T.; Pickett, L. M.; Idicheria, C. A. End-of-injection over-mixing and unburned hydrocarbon emissions in lowtemperature-combustion diesel engines; SAE International: Warrendale, PA, 2007; SAE Paper 2007-01-0907.
21. Metcalf, W.; Swarts, A.; Yates, D. B. A. A Study of the Ignition-Delay Character of n-heptane in the IQT Combustion Bomb Using CFD Modeling; SAE International: Warrendale, PA, 2007; SAE 2007-01-0021.
22. d'Errico, G.; Ettorre, D.; Lucchini, T. Simplified and Detailed Chemistry Modeling of Constant-Volume Diesel Combustion Experiments; SAE International: Warrendale, PA, 2008; SAE Paper 2008-01-0954.
23. Baert, R.; Frijters, P.; Somers, B.; Luijten, C. Design and operation of a high pressure, high temperature cell for HD diesel spray diagnostics: Guidelines and results; SAE International: Warrendale, PA, 2009; SAE Paper 2009-01-0649.
24. Giannadakis, E.; Gavaises, M.; Theodorakakos, A. The influence of variable fuel properties in high-pressure diesel injectors; SAE International: Warrendale, PA, 2009; SAE Paper 2009-01-0832.
25. Pickett, L. M.; Kook, S.; Williams, T. C. Visualization of Diesel Spray Penetration, Cool-Flame, Ignition, High-Temperature Combustion, and Soot Formation Using High-Speed Imaging. SAE Int. J. Engines 2009, 2, 439-459; Paper 2009-01-0658.
26. Malbec, L.-M.; Bruneaux, G. Study of Air Entrainment of Multi-Hole Diesel Injection by Particle Image Velocimetry-Effect of Neighboring Jets Interaction and Transient Behavior After End of Injection; SAE International: Warrendale, PA, 2010; SAE Paper 2010-01-0342.
27. Pickett, L. M.; Genzale, C. L.; Bruneaux, G.; Malbec, L.-M.; Hermant, L.; Christiansen, C.; Schramm, J. Comparison of diesel spray combustion in different high-temperature, high-pressure facilities; SAE International: Warrendale, PA, 2010; SAE Paper 2010-01-2106.
28. Lin, Y.-S.; Lin, H.-P. Study on the spray characteristics of methyl esters from waste cooking oil at elevated temperature. Renewable Energy 2010, 35 (9), 1900-1907.
29. Allard, L. N.; Webster, G. D.; Hole, N. J.; Ryan, T. W.; Ott, D.; Fairbridge, C. W. Diesel Fuel Ignition Quality as Determined in the Ignition Quality Tester (IQT); SAE International: Warrendale, PA, 1996; SAE Report No. 961182.
30. Allard, L. N.; Webster, G. D.; Ryan, T. W.; Ott, D.; Beregszaszy, A.; Fairbridge, C. W.; Cooley, J.; Mitchell, K.; Richardson, E. K.; Elliot, N. G.; Rickeard, D. J. Diesel Fuel Ignition Quality as Determined in the Ignition Quality Tester (IQT) -Part II; SAE International: Warrendale, PA; 1997; SAE Report No. 971636.
31. Allard, L. N.;Webster, G. D.; Ryan, T.W.; Baker, G.; Beregszaszy, A.; Fairbridge, C. W.; Ecker, A.; Rath, J. Analysis of the Ignition Behaviour of the ASTM D-613 Primary Reference Fuels and Full Boiling Range Diesel Fuels in the Ignition Quality Tester (IQT) -Part III; SAE International: Warrendale, PA, 1999; SAE Report No. 1999-01-3591.
32. Allard, L. N.; Webster, G. D.; Ryan, T. W.; Matheaus, A. C.; Baker, G.; Beregszaszy, A.; Read, H.; Mortimer, K.; Jones, G. Diesel Fuel Ignition Quality as Determined in the Ignition Quality Tester (IQT) -Part IV; SAE International: Warrendale, PA, 2001; SAE Report No. 2001-01-3527.
33. Standard Test Method for Determination of Ignition Delay and Derived CetaneNumber (DCN) of Diesel Fuel Oils by Combustion in a Constant Vol. Chamber; ASTM International, July 2008; ASTM D 6890-08.
34. Standard Test Method for Cetane Number of Diesel Fuel Oil; ASTM International, August 2003; ASTM D613-03b.
35. Interlaboratory Study to Establish Precision Statements for ASTM D6890, Standard Test Method for Determination of Ignition Delay and Derived Cetane Number (DCN) of Diesel Fuel Oils by Combustion in a Constant Vol. Chamber; Committee D02 on Petroleum Products and Lubricants, Subcommittee D02.01 on Combustion Characteristics, ASTM International, 19 September 2006; Research Report D02-1602.
36. Interlaboratory Study to Establish Precision Statements for ASTM D613, Standard Test Method for Cetane Number of Diesel Fuel Oil; Committee D02 on Petroleum Products and Lubricants, Subcommittee D02.01 on Combustion Characteristics, ASTM International, 4 December 2002; Research Report D02-1532.
37. Development of the IQT Model to Calculate the Derived Cetane Number (DCN); Committee D02 on Petroleum Products and Lubricants, Subcommittee D02.01 on Combustion Characteristics, ASTM International, 11 December 2002; , Research Report D02-1531.
38. Bogin Jr., G. E.; DeFilippo, A.; Chen, J. Y.; Chin, G.; Luecke, J.; Ratcliff, M. A.; Zigler, B. T.; Dean, A. M. Modeling the Fuel Spray and Combustion Process of the Ignition Quality Tester. Western States Section of the Combustion Institute; Irvine, CA, October 26-27, 2009.
39. Kostas, J.; Honnery, D.; Soria, J.; Kastengren, A.; Liu, Z.; Powell, C. F.; Wang, J. Effect of Nozzle Transients and Compressibility on the Penetration of Fuel Sprays. Appl. Phys. Lett. 2009, 95, 024101.
40. AET Procedures Manual: Ignition Quality Tester (IQT™) for Diesel Fuel Cetane Number Evaluation; Advanced Engine Technology Ltd., 2002.
41. Amsden, A. A.; O'Rourke, P. J.; Butler, T. D. KIVA-II: A Computer Program for Chemically Reactive Flows with Sprays; Los Alamos National Laboratory: Los Almos, NM, 1989.
42. Amsden, A. A. KIVA-3V, Release 2, Improvements to KIVA-3V, Los Alamos National Laboratory: Los Almos, NM, 1999.
43. Launder, B. E.; Spalding, D. B. Mathematical Models of Turbulence; Academic Press: New York: 1972.
44. Magnussen, B. F.; Hjertager, B. H. On Mathematical Modeling of Turbulent Combustion with Special Emphasis on Soot Formation and Combustion. Sixteenth Symposium (International) on Combustion; 1977, 16 (1), 719-729. (Pubitemid 8544356)
45. Magnussen, B. F. The Eddy Dissipation Concept A Bridge Between Science and Technology. ECCOMAS Thematic Conference on Computational Combustion; Lisbon, June 21-24, 2005.
46. Reitz, R. D.; Diwakar, R. Structure of High Pressure Fuel Sprays; SAE International: Warrendale, PA, 1987; SAE Technical Paper 870598.
47. Patterson, M. A.; Reitz, R. D. Modeling the Effects of Fuel Spray Characteristics on Diesel Engine Combustion and Emissions; SAE International: Warrendale, PA, 1998; SAE Report No. 980131.
48. Tsai, H.-L. KHRT breakup model implementation in KIVA-3V, Private Communication; Kao-Yuan University, 2009.
49. O'Rourke, P. J. Collective Drop Effects in Vaporizing Liquid Sprays. Ph.D. thesis 1532-T, Princeton University: Princeton, NJ, 1981.
50. Martinelli, L.; Reitz, R. D.; Bracco, F. V. Comparison of Computed and Measured Dense Spray Jets. Ninth International Colloquium on Dynamics of Explosions and Reactive Systems; Poitiers, France, 1983.
51. Chatwani, A. U.; Bracco, F. V. Computation of Dense Spray Jets. ICLASS-85; Paper 1B/1/1, Institute of Energy: London, July 1985.
52. Bracco, F. V. Modeling of Engine Sprays; SAE International: Warrendale, PA, 1985; SAE Paper 850394.
53. Williams, F. A. Phys. Fluids 1958, 1, 541.
54. Tsurushima, T. A New Skeletal PRF Kinetic Model for HCCI Combustion. Proc. Combust. Inst. 2009, 32, 2835-2841.
55. Ra, Y.; Reitz, R. D. A Reduced Chemical Kinetic Model for IC Engine Combustion Simulations with Primary Reference Fuels. Combust. Flame 2008, 155, 713-738.
56. Nouri, J. N.; Hamid, M. A.; Yan, Y.; Arcoumanis, C. Spray Characterization of a Piezo Pintle-Type Injector for Gasoline Direct Injection Engines. J. Phys.: Conf. Ser. 2007, 85, 012037.
57. Lutz, A. E.; Kee, R. J.; Miller, J. A. Senkin: A Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics with Sensitivity Analysis; Sandia National Laboratories: Livermore, CA, 1997; Report No. SAND87-8248.
58. n-Heptane, Detailed Mechanism, version 2; Lawrence Livermore National Laboratory; available at https://www-pls.llnl.gov/?url=science-and-technology- chemistry-combustion-nc7h16 (accessed Aug 2009).
59. Basevich, V. Y.; Belyaev, A. A.; Brandshteter, V.; Neigauz, M. G.; Tashl, R.; Frolov, S. M. Simulation of Autoignition of Iso-Octane and n-Heptane in an Internal Combustion Engine. Combust., Explosion, Shock Waves 1994, 30, 737-745.
60. Bartok, W.; Kuriskin, R. J. Formation of Soot Precursors in Diffusion Flames. Combust. Sci. Technol. 1988, 58 (4-6), 281-295.
61. Nordin, N. reitzKHRT.C., version 1.5 release 14 July 2008; OpenFOAM source code, http://www.opencfd.co.uk/openfoam/ (accessed Aug 2009).
62. Sirignano, W. Fluid Dynamics and Transport of Droplets and Sprays; Cambridge University Press: Cambridge, U.K., 1999.
63. Westbrook, C. K.; Pitz, W. J.; Boercker, J. E.; Curran, H. J.; Griffiths, J. F.; Mohamed, C.; Ribaucou, M. Detailed chemical kinetic reaction mechanisms for autoignition of isomers of heptane under rapid compression. Proc. Combust. Inst. 2002, 29 (1), 1311-1318.
64. Haas, F. M.; Ramcharan, A.; Dryer, F. L. Relative Reactivities of the Isomeric Butanols and Ethanol in an Ignition Quality Tester. Energy Fuels 2011, 25 (9), 3909-3916.
65. Chevaller, J. L. E.; Petrino, P. J.; Gaston-Bonhomme, Y. H. Viscosity and Density of Some Aliphatic, Cyclic, and Aromatic Hydrocarbons Binary Liquid Mixtures. J. Chem. Eng. Data 1990, 35 (2), 206-212. (Pubitemid 20684505)