`ISRN Mechanical EngineeringVolume 2012 (2012), Article ID 475607, 11 pageshttp://dx.doi.org/10.5402/2012/475607`
Research Article

## Verification, Validation, and Testing of Kinetic Mechanisms of Hydrogen Combustion in Fluid-Dynamic Computations

Institute of Space Propulsion, German Aerospace Center (DLR), Lampoldshausen, 74239 Hardthausen, Germany

Received 21 May 2012; Accepted 13 June 2012

Academic Editors: F. Liu and B. Yu

Copyright © 2012 Victor P. Zhukov. 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.

1. ANSYS CFX, http://www.ansys.com/products/cfx.asp.
2. Fluent, http://www.fluent.com/.
4. P. J. Roache, “Verification of codes and calculations,” AIAA Journal, vol. 36, no. 5, pp. 696–702, 1998.
5. R. J. Kee, F. M. Rupley, and J. A. Miller, “CHEMKIN-II: a fortran chemical kinetics package for the analysis of gas-phase chemical kinetics,” Sandia National Laboratories Report SAND898009, 1989.
6. M. Mani, R. H. Bush, and P. G. Vogel, “Implicit equilibrium and finite-rate chemistry models for high speed flow applications,” AIAA Paper 91-3299-CP, 1991.
7. C. J. Jachimowski, “An analytical study of hydrogen—air reaction mechanism with application to scramjet,” NASA Technical Paper 2791, 1988.
8. D. R. Eklund and S. D. Stouffer, “A numerical and experimental study of a supersonic combustor employing swept ramp fuel injectors,” AIAA Paper 94-2819, 1994.
9. K. Kumaran and V. Babu, “Investigation of the effect of chemistry models on the numerical predictions of the supersonic combustion of hydrogen,” Combustion and Flame, vol. 156, no. 4, pp. 826–841, 2009.
10. M. Slack and A. Grillo, “Investigation of hydrogen-air ignition sensitized by nitric oxide and by nitrogen oxide,” NASA Report CR-2896, 1977.
11. N. M. Marinov, C. K. Westbrook, and W. J. Pitz, Detailed and Global Chemical Kinetic Model for Hydrogen, vol. 1, Transport Phenomena in Combustion, Washington, DC, USA, 1996.
12. S. R. Lee and J. S. Kim, “Structure and length of chemistry induction zone in hydrogen-air detonations,” Korean Journal of Chemical Engineering, vol. 16, no. 2, pp. 253–259, 1999.
13. M. O'Conaire, H. J. Curran, J. M. Simmie, W. J. Pitz, and C. K. Westbrook, “A comprehensive modeling study of hydrogen oxidation,” International Journal of Chemical Kinetics, vol. 36, no. 11, pp. 603–622, 2004.
14. E. Gutheil, M. D. Balakrishnan, and F. A. Williams, “Structure and extinction of hydrogen-air diffusion flames,” in Reduced Mechanisms for Application in Combustion Systems, vol. 15, pp. 177–195, Springer, Heidelberg, Germany, 1993.
15. A. A. Konnov, “Development and validation of a detailed reaction mechanism for the combustion of small hydrocarbons,” in Proceedings of the 28th International Symposium on Combustion, Abstract Symposium Paper, p. 317, August 2000.
16. M. P. Burke, M. Chaos, Y. Ju, F. L. Dryer, and S. J. Klippenstein, “Comprehensive H2/O2 kinetic model for high-pressure combustion,” International Journal of Chemical Kinetics, vol. 44, no. 7, pp. 444–474, 2012.
17. G. Stahl and J. Warnatz, “Numerical investigation of time-dependent properties and extinction of strained methane- and propane-air flamelets,” Combustion and Flame, vol. 85, no. 3-4, pp. 285–299, 1991.
18. J. V. Michael, M. C. Su, J. W. Sutherland, J. J. Carroll, and A. F. Wagner, “Rate constants for $\text{H}+{\text{O}}_{2}+\text{M}\to {\text{HO}}_{\text{2}}+\text{M}$ in seven bath gases,” The Journal of Physical Chemistry A, vol. 106, no. 21, pp. 5297–5313, 2002.
19. B. Ruscic, A. F. Wagner, L. B. Harding et al., “On the enthalpy of formation of hydroxyl radical and gas-phase bond dissociation energies of water and hydroxyl,” Journal of Physical Chemistry A, vol. 106, no. 11, pp. 2727–2747, 2002.
20. A. A. Konnov, “Remaining uncertainties in the kinetic mechanism of hydrogen combustion,” Combustion and Flame, vol. 152, no. 4, pp. 507–528, 2008.
21. J. Li, Z. Zhao, A. Kazakov, and F. L. Dryer, “An updated comprehensive kinetic model of hydrogen combustion,” International Journal of Chemical Kinetics, vol. 36, no. 10, pp. 566–575, 2004.
22. O. P. Shatalov, L. B. Ibraguimova, V. A. Pavlov, et al., “Analysis of the kinetic data described oxygen—hydrogen mixtures combustion,” in Proceedings of the 4th European Combustion Meeting, Vienna, Austria, April 2009.
23. Z. Hong, D. F. Davidson, and R. K. Hanson, “An improved H2/O2 mechanism based on recent shock tube/laser absorption measurements,” Combustion and Flame, vol. 158, no. 4, pp. 633–644, 2011.
24. M. P. Burke, M. Chaos, F. L. Dryer, and Y. Ju, “Negative pressure dependence of mass burning rates of H2/CO/O2/diluent flames at low flame temperatures,” Combustion and Flame, vol. 157, no. 4, pp. 618–631, 2010.
25. P. Gerlinger, K. Nold, and M. Aigner, “Influence of reaction mechanisms, grid spacing, and inflow conditions on the numerical simulation of lifted supersonic flames,” International Journal for Numerical Methods in Fluids, vol. 62, no. 12, pp. 1357–1380, 2010.
26. P. K. Tucker, S. Menon, C. L. Merkle, J. C. Oefelein, and V. Yang, “Validation of high-fidelity CFD simulations for rocket injector design,” in Proceedings of the 44th AIAA/ASME/SAE/ASEE Joint Propulsion Conference and Exhibit, vol. 5226, AIAA, Hartford, Conn, USA, July 2008.
27. O. C. Kwon and G. M. Faeth, “Flame/stretch interactions of premixed hydrogen-fueled flames: measurements and predictions,” Combustion and Flame, vol. 124, no. 4, pp. 590–610, 2001.
28. O. Gurliat, V. Schmidt, O. J. Haidn, and M. Oschwald, “Ignition of cryogenic H2/LOX sprays,” Aerospace Science and Technology, vol. 7, no. 7, pp. 517–531, 2003.
29. D. Suslov, J. Lux, and O. Haidn, “Investigation of porous injector elements for LOX/CH4 and LOX/H2 combustion at sub-and super-critical conditions,” in Proceedings of the 2nd European Conference for Aerospace Sciences, pp. 1–6, Brussels, Belgium, July 2007.
30. T. G. Kreutz and C. K. Law, “Ignition in nonpremixed counterflowing hydrogen versus heated air: computational study with skeletal and reduced chemistry,” Combustion and Flame, vol. 114, no. 3-4, pp. 436–456, 1998.
31. V. P. Zhukov, “Kinetic model of alkane oxidation at high pressure from methane to n-heptane,” Combustion Theory and Modelling, vol. 13, no. 3, pp. 427–442, 2009.
32. R. J. Kee, J. F. Grcar, M. D. Smooke, and J. A. Miller, “A fortran program for modeling steady laminar one-dimensional premixed flames,” Sandia National Laboratories Report SAND89–8240, 1985.
33. J. Warnatz, U. Mass, and R. W. Dibble, Combustion, Springer, New York, NY, USA, 1996.
34. G. Dixon-Lewis, “Flame structure and flame reaction kinetics. II. transport phenomena in multicomponent systems,” Proceedings of the Royal Society, vol. 307, no. 1488, pp. 111–135, 1968.
35. T. P. Coffee and J. M. Heimerl, “Transport algorithms for premixed, laminar steady-state flames,” Combustion and Flame, vol. 43, pp. 273–289, 1981.
36. F. Yang, C. K. Law, C. J. Sung, and H. Q. Zhang, “A mechanistic study of soret diffusion in hydrogen-air flames,” Combustion and Flame, vol. 157, no. 1, pp. 192–200, 2010.