Table of Contents Author Guidelines Submit a Manuscript
Journal of Combustion
Volume 2014, Article ID 237049, 13 pages
http://dx.doi.org/10.1155/2014/237049
Research Article

Development and Parametric Evaluation of a Tabulated Chemistry Tool for the Simulation of n-Heptane Low-Temperature Oxidation and Autoignition Phenomena

Laboratory of Heterogeneous Mixtures and Combustion Systems, Thermal Engineering Section, School of Mechanical Engineering, National Technical University of Athens, 9 Heroon Polytechniou Street, Polytechnioupoli Zografou, 15780 Athens, Greece

Received 30 December 2013; Revised 8 May 2014; Accepted 9 May 2014; Published 10 June 2014

Academic Editor: Michael Fairweather

Copyright © 2014 George Vourliotakis et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. T. Lu and C. K. Law, “Toward accommodating realistic fuel chemistry in large-scale computations,” Progress in Energy and Combustion Science, vol. 35, no. 2, pp. 192–215, 2009. View at Publisher · View at Google Scholar · View at Scopus
  2. F. Battin-Leclerc, “Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates,” Progress in Energy and Combustion Science, vol. 34, no. 4, pp. 440–498, 2008. View at Publisher · View at Google Scholar · View at Scopus
  3. C. K. Westbrook and F. L. Dryer, “Chemical kinetic modeling of hydrocarbon combustion,” Progress in Energy and Combustion Science, vol. 10, no. 1, pp. 1–57, 1984. View at Google Scholar · View at Scopus
  4. H. Machrafi, S. Cavadias, and J. Amouroux, “Influence of fuel type, dilution and equivalence ratio on the emission reduction from the auto-ignition in an Homogeneous Charge Compression Ignition engine,” Energy, vol. 35, no. 4, pp. 1829–1838, 2010. View at Publisher · View at Google Scholar · View at Scopus
  5. D. Ganesh and G. Nagarajan, “Homogeneous charge compression ignition (HCCI) combustion of diesel fuel with external mixture formation,” Energy, vol. 35, no. 1, pp. 148–157, 2010. View at Publisher · View at Google Scholar · View at Scopus
  6. S. Cong, G. P. McTaggart-Cowan, C. P. Garner, E. Wahab, and M. Peckham, “Experimental investigation of low temperature diesel combustion processes,” Combustion Science and Technology, vol. 183, no. 12, pp. 1376–1400, 2011. View at Publisher · View at Google Scholar · View at Scopus
  7. Y. Ohkubo, Y. Idota, and Y. Nomura, “Evaporation characteristics of fuel spray and low emissions in a lean premixed-prevaporization combustor for a 100 kW automotive ceramic gas turbine,” Energy Conversion and Management, vol. 38, pp. 1297–1309, 1997. View at Google Scholar · View at Scopus
  8. T. B. Gradinger, A. Inauen, R. Bombach, B. Käppeli, W. Hubschmid, and K. Boulouchos, “Liquid-fuel/air premixing in gas turbine combustors: experiment and numerical simulation,” Combustion and Flame, vol. 124, no. 3, pp. 422–443, 2001. View at Publisher · View at Google Scholar · View at Scopus
  9. L. Hartmann, K. Lucka, and H. Köhne, “Mixture preparation by cool flames for diesel-reforming technologies,” Journal of Power Sources, vol. 118, no. 1-2, pp. 286–297, 2003. View at Publisher · View at Google Scholar · View at Scopus
  10. A. Naidja, C. R. Krishna, T. Butcher, and D. Mahajan, “Cool flame partial oxidation and its role in combustion and reforming of fuels for fuel cell systems,” Progress in Energy and Combustion Science, vol. 29, no. 2, pp. 155–191, 2003. View at Publisher · View at Google Scholar · View at Scopus
  11. J. Matos da Silva, I. Hermann, C. Mengel, K. Lucka, and H. Köhne, “Autothermal reforming of gasoline using a cool flame vaporizer,” AIChE Journal, vol. 50, no. 5, pp. 1042–1050, 2004. View at Publisher · View at Google Scholar · View at Scopus
  12. E. J. D’Onofrio, “Cool flame and autoignition in glycols,” Journal of Loss Prevention in the Process Industries, vol. 13, pp. 89–97, 1979. View at Google Scholar
  13. A. A. Pekalski and H. J. Pasman, “Distinction between the upper explosion limit and the lower cool flame limit in determination of flammability limit at elevated conditions,” Process Safety and Environmental Protection, vol. 87, no. 1, pp. 47–52, 2009. View at Publisher · View at Google Scholar · View at Scopus
  14. P. G. Lignola and E. Reverchon, “Cool flames,” Progress in Energy and Combustion Science, vol. 13, no. 1, pp. 75–96, 1987. View at Google Scholar · View at Scopus
  15. J. F. Griffiths, “Reduced kinetic models and their application to practical combustion systems,” Progress in Energy and Combustion Science, vol. 21, no. 1, pp. 25–107, 1995. View at Google Scholar · View at Scopus
  16. A. J. Harrison and L. R. Cairnie, “The development and experimental validation of a mathematical model for predicting hot-surface autoignition hazards using complex chemistry,” Combustion and Flame, vol. 71, no. 1, pp. 1–21, 1988. View at Google Scholar · View at Scopus
  17. P. Dagaut, M. Reuillon, and M. Cathonnet, “Experimental study of the oxidation of n-heptane in a jet stirred reactor from low to high temperature and pressures up to 40 Atm,” Combustion and Flame, vol. 101, no. 1-2, pp. 132–140, 1995. View at Publisher · View at Google Scholar · View at Scopus
  18. R. S. Sheinson and F. W. Williams, “Chemiluminescence spectra from cool and blue flames: electronically excited formaldehyde,” Combustion and Flame, vol. 21, no. 2, pp. 221–230, 1973. View at Google Scholar · View at Scopus
  19. M. J. Pilling, Ed., Low-Temperature Combustion and Autoignition, vol. 35 of Comprehensive Chemical Kinetics, Elsevier, Amsterdam, The Netherlands, 1997.
  20. K. Lucka and H. Koehne, “Usage of cold flames for the evaporation of liquid fuels,” in Proceedings of the 5th International Conference on Clean Air Technology, pp. 207–213, Lisbon, Portugal, 1999.
  21. H. J. Curran, P. Gaffuri, W. J. Pitz, and C. K. Westbrook, “A comprehensive modeling study of n-heptane oxidation,” Combustion and Flame, vol. 114, no. 1-2, pp. 149–177, 1998. View at Publisher · View at Google Scholar · View at Scopus
  22. H. J. Curran, P. Gaffuri, W. J. Pitz, and C. K. Westbrook, “A comprehensive modeling study of iso-octane oxidation,” Combustion and Flame, vol. 129, no. 3, pp. 253–280, 2002. View at Publisher · View at Google Scholar · View at Scopus
  23. E. Ranzi, P. Gaffuri, T. Faravelli, and P. Dagaut, “A wide-range modeling study of n-heptane oxidation,” Combustion and Flame, vol. 103, no. 1-2, pp. 91–106, 1995. View at Publisher · View at Google Scholar · View at Scopus
  24. D. I. Kolaitis and M. A. Founti, “On the assumption of using n-heptane as a “surrogate fuel” for the description of the cool flame oxidation of diesel oil,” Proceedings of the Combustion Institute, vol. 32, pp. 3197–3205, 2009. View at Google Scholar
  25. P. Zhao and C. K. Law, “The role of global and detailed kinetics in the first-stage ignition delay in NTC-affected phenomena,” Combustion and Flame, vol. 160, no. 11, pp. 2352–2358, 2013. View at Publisher · View at Google Scholar · View at Scopus
  26. C. K. Law and P. Zhao, “NTC-affected ignition in nonpremixed counterflow,” Combustion and Flame, vol. 159, no. 3, pp. 1044–1054, 2012. View at Publisher · View at Google Scholar · View at Scopus
  27. D. M. A. Karwat, S. W. Wagnon, M. S. Wooldridge, and C. K. Westbrook, “Low-temperature speciation and chemical kinetic studies of n-heptane,” Combustion and Flame, vol. 160, pp. 2693–2706, 2013. View at Publisher · View at Google Scholar · View at Scopus
  28. O. Herbinet, B. Husson, Z. Serinyel et al., “Experimental and modeling investigation of the low-temperature oxidation of n-heptane,” Combustion and Flame, vol. 159, no. 12, pp. 3455–3471, 2012. View at Publisher · View at Google Scholar · View at Scopus
  29. S. K. Aggarwal, “A review of spray ignition phenomena: present status and future research,” Progress in Energy and Combustion Science, vol. 24, no. 6, pp. 565–600, 1998. View at Google Scholar · View at Scopus
  30. A. Cuoci, M. Mehl, G. Buzzi-Ferraris, T. Faravelli, D. Manca, and E. Ranzi, “Autoignition and burning rates of fuel droplets under microgravity,” Combustion and Flame, vol. 143, no. 3, pp. 211–226, 2005. View at Publisher · View at Google Scholar · View at Scopus
  31. O. Colin, A. P. da Cruz, and S. Jay, “Detailed chemistry-based auto-ignition model including low temperature phenomena applied to 3-D engine calculations,” Proceedings of the Combustion Institute, vol. 30, pp. 2649–2656, 2005. View at Google Scholar
  32. M. A. Founti and D. I. Kolaitis, “Numerical simulation of diesel spray evaporation exploiting the “stabilized cool flame” phenomenon,” Atomization and Sprays, vol. 15, no. 1, pp. 1–18, 2005. View at Publisher · View at Google Scholar · View at Scopus
  33. D. I. Kolaitis and M. A. Founti, “Numerical modelling of transport phenomena in a diesel spray “stabilized cool flame” reactor,” Combustion Science and Technology, vol. 178, no. 6, pp. 1087–1115, 2006. View at Publisher · View at Google Scholar · View at Scopus
  34. D. I. Kolaitis and M. A. Founti, “A tabulated chemistry approach for numerical modeling of diesel spray evaporation in a “stabilized cool flame” environment,” Combustion and Flame, vol. 145, no. 1-2, pp. 259–271, 2006. View at Publisher · View at Google Scholar · View at Scopus
  35. D. I. Katsourinis and M. A. Founti, “CFD modelling of a “stabilized cool flame” reactor with reduced mechanisms and a direct integration approach,” Chemical Engineering Science, vol. 63, no. 2, pp. 424–433, 2008. View at Publisher · View at Google Scholar · View at Scopus
  36. J. J. Hernandez, J. Sanz-Argent, J. Benajes, and S. Molina, “Selection of a diesel fuel surrogate for the prediction of auto-ignition under HCCI engine conditions,” Fuel, vol. 87, no. 6, pp. 655–665, 2008. View at Publisher · View at Google Scholar · View at Scopus
  37. W. J. Pitz and C. J. Mueller, “Recent progress in the development of diesel surrogate fuels,” Progress in Energy and Combustion Science, vol. 37, no. 3, pp. 330–350, 2011. View at Publisher · View at Google Scholar · View at Scopus
  38. F. Tao, V. I. Golovitchev, and J. Chomiak, “Self-ignition and early combustion process of n-heptane sprays under diluted air conditions: numerical studies based on detailed chemistry,” Society of Automotive Engineers Paper 2000-01-2931, SAE Transactions, 2000. View at Google Scholar
  39. H. K. Ciezki and G. Adomeit, “Shock-tube investigation of self-ignition of n-heptane-air mixtures under engine relevant conditions,” Combustion and Flame, vol. 93, no. 4, pp. 421–433, 1993. View at Publisher · View at Google Scholar · View at Scopus
  40. A. J. Donkerbroek, A. P. van Vliet, L. M. T. Somers et al., “Time- and space-resolved quantitative LIF measurements of formaldehyde in a heavy-duty diesel engine,” Combustion and Flame, vol. 157, no. 1, pp. 155–166, 2010. View at Publisher · View at Google Scholar · View at Scopus
  41. A. J. Donkerbroek, A. P. van Vliet, L. M. T. Somers, N. J. Dam, and J. J. ter Meulen, “Relation between hydroxyl and formaldehyde in a direct-injection heavy-duty diesel engine,” Combustion and Flame, vol. 158, no. 3, pp. 564–572, 2011. View at Publisher · View at Google Scholar · View at Scopus
  42. N. A. Slavinskaya and O. J. Haidn, “Modeling of n-heptane and iso-octane oxidation in air,” Journal of Propulsion and Power, vol. 19, no. 6, pp. 1200–1216, 2003. View at Google Scholar · View at Scopus
  43. Y. Muharam and J. Warnatz, “Kinetic modelling of the oxidation of large aliphatic hydrocarbons using an automatic mechanism generation,” Physical Chemistry Chemical Physics, vol. 9, no. 31, pp. 4218–4229, 2007. View at Publisher · View at Google Scholar · View at Scopus
  44. M. Chaos, A. Kazakov, Z. Zhao, and F. L. Dryer, “A high-temperature chemical kinetic model for primary reference fuels,” International Journal of Chemical Kinetics, vol. 39, no. 7, pp. 399–414, 2007. View at Publisher · View at Google Scholar · View at Scopus
  45. T. Zeuch, G. Moréac, S. S. Ahmed, and F. Mauss, “A comprehensive skeletal mechanism for the oxidation of n-heptane generated by chemistry-guided reduction,” Combustion and Flame, vol. 155, no. 4, pp. 651–674, 2008. View at Publisher · View at Google Scholar · View at Scopus
  46. A. M. Kanury, Introduction to Combustion Phenomena, Gordon and Breach Science Publishers, 1994.
  47. N. Peters, Turbulent Combustion, Cambridge University Press, 2000.
  48. S. C. Kong, C. D. Marriott, R. D. Reitz, and M. Christensen, “Modeling and experiments of HCCI engine combustion using detailed chemical kinetics with multidimensional CFD,” Tech. Rep. 2001-01-1026, SAE Transactions, 2001. View at Google Scholar
  49. R. J. Kee, F. M. Rupley, J. A. Miller et al., CHEMKIN Collection, Release 4. 1, Reaction Design, San Diego, Calif, USA, 2007.
  50. N. Steinbach, Untersuchungen zum Zuendverhalten von Heizoel EL-Luft-Gemischen unter atmosphaerischem Druck [Ph.D. thesis], RWTH, Aachen, Germany, 2002.
  51. R. Edenhofer, K. Lucka, and H. Kohne, “Low temperature oxidation of diesel-air mixtures at atmospheric pressure,” Proceedings of the Combustion Institute, vol. 31, pp. 2947–2954, 2007. View at Google Scholar
  52. S. W. Benson, “The kinetics and thermochemistry of chemical oxidation with application to combustion and flames,” Progress in Energy and Combustion Science, vol. 7, no. 2, pp. 125–134, 1981. View at Google Scholar · View at Scopus
  53. A. Kazakov, M. Chaos, Z. Zhao, and F. L. Dryer, “Computational singular perturbation analysis of two-stage ignition of large hydrocarbons,” Journal of Physical Chemistry A, vol. 110, no. 21, pp. 7003–7009, 2006. View at Publisher · View at Google Scholar · View at Scopus