International Scientific Journal

Thermal Science - Online First

Authors of this Paper

External Links

online first only

Combustion simulations of scramjet combustor using reduced mechanism of surrogate fuel for regenerative cooling pyrolysis products

Taking the surrogate fuel (64% ethylene and 36% methane in mole percentage) for regenerative cooling pyrolysis products used in HIFiRE-2 scramjet combustor as an example, present work systematically explores the workflow of the integrated mechanism reduction for surrogate fuel of pyrolysis products, the kinetic performance verification of the preferred reduced mechanism, and the combustion simulation application of the reduced mechanism in scramjet combustor. A static integrated reduction strategy is performed to obtain reduced mechanism for the surrogate fuel with the NUIGMech1.2 as detailed mechanism under wide conditions for temperature range of 900 - 1800 K, pressure range of 1 - 4 atm, and equivalence ratio range of 0.25 - 5.0. A reduced mechanism (34 species and 181 reactions)with remarkably reduced size is obtained, which presents favorable performance incomprehensive kinetic validations. With this compact and high-fidelity reduced mechanism, the combustion simulations for the scramjet combustor are carried out combining with tabulation of dynamic adaptive chemistry for run-time speed-up. The simulation results of static pressure profiles obtained for cold and hot states match well with the experimental measurements for the two conditions with flight Mach number of 5.84 and 6.50. Meanwhile, the flow and combustion characteristics of the two conditions are investigated based on simulation results. The integrated reduction strategy and systematic kinetic verification used in present work provide reference values for the application of more complex surrogate fuel mechanisms in scramjet combustor combustion simulation.
PAPER REVISED: 2024-03-20
PAPER ACCEPTED: 2024-03-23
  1. Powell, O.A., et al., Development of Hydrocarbon-Fueled Scramjet Engines: The Hypersonic Technology (HyTech) Program, Journal of Propulsion and Power, 17. (2001), 6, pp. 1170-1176, DOI No.
  2. Sobel, D.R.,L.J. Spadaccini, Hydrocarbon Fuel Cooling Technologies for Advanced Propulsion, Journal of Engineering for Gas Turbines and Power, 119. (1997), 2, pp. 344-351,
  3. Huang , H., et al., Fuel-Cooled Thermal Management for Advanced Aeroengines, Journal of Engineering for Gas Turbines and Power, 126. (2004), 2, pp. 284-293, DOI No.
  4. Zhang, D., et al., Performance evaluation of power generation system with fuel vapor turbine onboard hydrocarbon fueled scramjets, Energy, 77. (2014), pp. 732-741, DOI No.
  5. Zhong, F., et al., Thermal Cracking and Heat Sink Capacity of Aviation Kerosene Under Supercritical Conditions, Journal of Thermophysics and Heat Transfer, 25. (2011), 3, pp. 450-456, DOI No.
  6. III, M.B.C.,L.J. Spadaccini, Scramjet Fuels Autoignition Study, Journal of Propulsion and Power, 17. (2001), 2, pp. 315-323, DOI No.
  7. Storch, A., et al., Combustor Operability and Performance Verification for HIFiRE Flight 2, 17th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2011.
  8. Jackson, K., et al., HIFiRE Flight 2 Project Overview and Status Update 2011, 17th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2011.
  9. Pellett, G.L., et al. Gaseous surrogate hydrocarbons for a HIFiRE scramjet that mimic opposed jet extinction limits for cracked JP fuels, 55th JANNAF Propulsion Meeting, 2008.
  10. Wang, H.,A. Laskin, A comprehensive kinetic model of ethylene and acetylene oxidation at high temperatures, Progress report for an AFOSR new world vista program. (1998).
  11. ***, Wang, H., et al.,
  12. Zhou, C.-W., et al., An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements, Combustion and Flame, 197. (2018), pp. 423-438, DOI No.
  13. ***, Smith, G.P., et al.,
  14. Martinez, S., et al., A comprehensive experimental and modeling study of the ignition delay time characteristics of ternary and quaternary blends of methane, ethane, ethylene, and propane over a wide range of temperature, pressure, equivalence ratio, and dilution, Combustion and Flame, 234. (2021), p. 111626, DOI No.
  15. Baigmohammadi, M., et al., A Comprehensive Experimental and Simulation Study of Ignition Delay Time Characteristics of Single Fuel C1-C2 Hydrocarbons over a Wide Range of Temperatures, Pressures, Equivalence Ratios, and Dilutions, Energy & Fuels, 34. (2020), 3, pp. 3755-3771, DOI No.
  16. Baigmohammadi, M., et al., Comprehensive Experimental and Simulation Study of the Ignition Delay Time Characteristics of Binary Blended Methane, Ethane, and Ethylene over a Wide Range of Temperature, Pressure, Equivalence Ratio, and Dilution, Energy & Fuels, 34. (2020), 7, pp. 8808-8823, DOI No.
  17. Martinez, S., et al., An experimental and kinetic modeling study of the ignition delay characteristics of binary blends of ethane/propane and ethylene/propane in multiple shock tubes and rapid compression machines over a wide range of temperature, pressure, equivalence ratio, and dilution, Combustion and Flame, 228. (2021), pp. 401-414, DOI No.
  18. Lu, T.,C.K. Law, Toward accommodating realistic fuel chemistry in large-scale computations, Progress in Energy and Combustion Science, 35. (2009), 2, pp. 192-215, DOI No.
  19. Xue, J., et al., An extensive study on skeletal mechanism reduction for the oxidation of C0-C4 fuels, Combustion and Flame, 214. (2020), pp. 184-198, DOI No.
  20. Xi, S., et al., Reduction of large-size combustion mechanisms of n-decane and n-dodecane with an improved sensitivity analysis method, Combustion and Flame, 222. (2020), pp. 326-335, DOI No.
  21. Lu, T.,C.K. Law, Strategies for mechanism reduction for large hydrocarbons: n-heptane, Combustion and Flame, 154. (2008), 1, pp. 153-163, DOI No.
  22. Wu, K., et al., Development and Fidelity Evaluation of a Skeletal Ethylene Mechanism under Scramjet-Relevant Conditions, Energy & Fuels, 31. (2017), 12, pp. 14296-14305, DOI No.
  23. Xiao, G., A Novel Integrated Strategy for Construction of a 96-Species n-Decane Skeletal Mechanism with Application to Ignition Delay Tester, Energy & Fuels, 34. (2020), 5, pp. 6367-6382, DOI No.
  24. Contino, F., et al., Coupling of in situ adaptive tabulation and dynamic adaptive chemistry: An effective method for solving combustion in engine simulations, Proceedings of the Combustion Institute, 33. (2011), 2, pp. 3057-3064, DOI No.
  25. Li, Z., et al., Assessment of On-the-Fly Chemistry Reduction and Tabulation Approaches for the Simulation of Moderate or Intense Low-Oxygen Dilution Combustion, Energy & Fuels, 32. (2018), 10, pp. 10121-10131, DOI No.
  26. Wu, K., et al., On the application of tabulated dynamic adaptive chemistry in ethylene-fueled supersonic combustion, Combustion and Flame, 197. (2018), pp. 265-275, DOI No.
  27. An, J., et al., Dynamic adaptive chemistry with mechanisms tabulation and in situ adaptive tabulation (ISAT) for computationally efficient modeling of turbulent combustion, Combustion and Flame, 206. (2019), pp. 467-475, DOI No.
  28. Karst, F., et al., Reduction of microkinetic reaction models for reactor optimization exemplified for hydrogen production from methane, Chemical Engineering Journal, 281. (2015), pp. 981-994, DOI No.
  29. Sharma, D., et al., Development of the Reduced Chemical Kinetic Mechanism for Combustion of H2/CO/C1-C4 Hydrocarbons, Energy & Fuels, 35. (2021), 1, pp. 718-742, DOI No.
  30. Zhou, C.-W., et al., A comprehensive experimental and modeling study of isobutene oxidation, Combustion and Flame, 167. (2016), pp. 353-379, DOI No.
  31. Luo, Z., et al., A reduced mechanism for ethylene/methane mixtures with excessive NO enrichment, Combustion and Flame, 158. (2011), 7, pp. 1245-1254, DOI No.
  32. Saghafian, A., et al., Large eddy simulations of the HIFiRE scramjet using a compressible flamelet/progress variable approach, Proceedings of the Combustion Institute, 35. (2015), 2, pp. 2163-2172, DOI No.
  33. Yentsch, R.J.,D.V. Gaitonde, Unsteady Three-Dimensional Mode Transition Phenomena in a Scramjet Flowpath, Journal of Propulsion and Power, 31. (2014), 1, pp. 104-122, DOI No.
  34. San Diego, CHEMKIN-PRO 15112. 2011, Reaction design.
  35. Li, S.H., et al., Automatic Chemistry Mechanism Reduction on Hydrocarbon Fuel Combustion, Chemical Journal of Chinese Universities, 36. (2015), 8, pp. 1576-1587, DOI No.
  36. Hass, N.E., et al. HIFiRE direct-connect rig (HDCR) phase I ground test results from the NASA Langley arc-heated scramjet test facility, 31st Airbreathing Joint Meeting, 2010.
  37. Hass, N., et al., HIFiRE Direct-Connect Rig (HDCR) Phase I Scramjet Test Results from the NASA Langley Arc-Heated Scramjet Test Facility, 17th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2011.
  38. Li, Z., et al., Application of hydrogen mechanisms in combustion simulation of DLR scramjet combustor and their effect on combustion performance, Fuel, 349. (2023), p. 128659, DOI No.
  39. ***, OpenFOAM Foundation,
  40. Kurganov, A.,E. Tadmor, New High-Resolution Central Schemes for Nonlinear Conservation Laws and Convection-Diffusion Equations, Journal of Computational Physics, 160. (2000), 1, pp. 241-282, DOI No.
  41. Greenshields, C.J., et al., Implementation of semi-discrete, non-staggered central schemes in a colocated, polyhedral, finite volume framework, for high-speed viscous flows, International journal for numerical methods in fluids, 63. (2010), 1, pp. 1-21, DOI No.
  42. Zhang, H., et al., Large eddy simulation of turbulent supersonic hydrogen flames with OpenFOAM, Fuel, 282. (2020), DOI No.
  43. van Leer, B., Towards the ultimate conservative difference scheme. II. Monotonicity and conservation combined in a second-order scheme, Journal of Computational Physics, 14. (1974), 4, pp. 361-370, DOI No.
  44. Menter, F.,T. Esch. Elements of industrial heat transfer predictions, 16th Brazilian Congress of Mechanical Engineering (COBEM),2001,109, p. 650
  45. Menter, F.R., et al., Ten years of industrial experience with the SST turbulence model, Turbulence, heat mass transfer, 4. (2003), 1, pp. 625-632
  46. ***, OpenFOAM Foundation,
  47. Chomiak, J.,A. Karlsson, Flame liftoff in diesel sprays, Symposium (International) on Combustion, 26. (1996), 2, pp. 2557-2564, DOI No.
  48. Vulis, L.A., Thermal regimes of combustion. McGraw-Hill, 1961.
  49. Golovitchev, V.I., et al., 3-D Diesel Spray Simulations Using a New Detailed Chemistry Turbulent Combustion Model, SAE Transactions, 109. (2000), pp. 1391-1405, DOI No.
  50. Liu, X., et al., Investigation of transient ignition process in a cavity based scramjet combustor using combined ethylene injectors, Acta Astronautica, 137. (2017), pp. 1-7, DOI No.
  51. Cai, Z., et al., Large Eddy Simulation of the flame propagation process in an ethylene fueled scramjet combustor in a supersonic flow, 21st AIAA International Space Planes and Hypersonics Technologies Conference, 2017.
  52. Sun, W., et al., A path flux analysis method for the reduction of detailed chemical kinetic mechanisms, Combustion and Flame, 157. (2010), 7, pp. 1298-1307, DOI No.
  53. Pope, S.B., Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation, Combustion Theory and Modelling, 1. (1997), 1, pp. 41-63, DOI No.
  54. Zheng, S., et al., Effects of radiation reabsorption on the laminar burning velocity of methane/air and methane/hydrogen/air flames at elevated pressures, Fuel, 311. (2022), p. 122586, DOI No.
  55. Zheng, S., et al., On the roles of humidification and radiation during the ignition of ammonia-hydrogen-air mixtures, Combustion and Flame, 254. (2023), p. 112832, DOI No.
  56. Seleznev, R.K., Numerical Investigation of the Ramjet and Scramjet Operation Regimes of the HIFiRE-2 Combustion Chamber, Fluid Dynamics, 57. (2022), 6, pp. 758-767, DOI No.
  57. Yang, M., et al., An experimental and modeling study of ethylene-air combustion over a wide temperature range, Combustion and Flame, 221. (2020), pp. 20-40, DOI No.
  58. Huang, Z.-w., et al., Large eddy simulation of flame structure and combustion mode in a hydrogen fueled supersonic combustor, International Journal of Hydrogen Energy, 40. (2015), 31, pp. 9815-9824, DOI No.
  59. Micka, D.J.,J.F. Driscoll, Stratified jet flames in a heated (1390K) air cross-flow with autoignition, Combustion and Flame, 159. (2012), 3, pp. 1205-1214, DOI No.
  60. Hu, E., et al., Laminar flame speeds and ignition delay times of methane-air mixtures at elevated temperatures and pressures, Fuel, 158. (2015), pp. 1-10, DOI No.
  61. Zettervall, N., et al., Small Skeletal Kinetic Reaction Mechanism for Ethylene-Air Combustion, Energy & Fuels, 31. (2017), 12, pp. 14138-14149, DOI No.
  62. Rozenchan, G., et al., Outward propagation, burning velocities, and chemical effects of methane flames up to 60 ATM, Proceedings of the Combustion Institute, 29. (2002), 2, pp. 1461-1470, DOI No.
  63. Lowry, W., et al., Laminar Flame Speed Measurements and Modeling of Pure Alkanes and Alkane Blends at Elevated Pressures, Journal of Engineering for Gas Turbines and Power, 133. (2011), 9, DOI No.
  64. Park, O., et al., Combustion characteristics of alternative gaseous fuels, Proceedings of the Combustion Institute, 33. (2011), 1, pp. 887-894, DOI No.
  65. Park, O., et al., Flame studies of C2 hydrocarbons, Proceedings of the Combustion Institute, 34. (2013), 1, pp. 711-718, DOI No.
  66. Jomaas, G., et al., Experimental determination of counterflow ignition temperatures and laminar flame speeds of C2-C3 hydrocarbons at atmospheric and elevated pressures, Proceedings of the Combustion Institute, 30. (2005), 1, pp. 193-200, DOI No.
  67. Hirasawa, T., et al., Determination of laminar flame speeds using digital particle image velocimetry: Binary Fuel blends of ethylene, n-Butane, and toluene, Proceedings of the Combustion Institute, 29. (2002), 2, pp. 1427-1434, DOI No.
  68. Egolfopoulos, F.N., et al., Experimental and numerical determination of laminar flame speeds: Mixtures of C2-hydrocarbons with oxygen and nitrogen, Symposium (International) on Combustion, 23. (1991), 1, pp. 471-478, DOI No.
  69. Hassan, M.I., et al., Properties of Laminar Premixed Hydrocarbon/Air Flames at Various Pressures, Journal of Propulsion and Power, 14. (1998), 4, pp. 479-488, DOI No.
  70. Kumar, K., et al., An experimental investigation of ethylene/O2/diluent mixtures: Laminar flame speeds with preheat and ignition delays at high pressures, Combustion and Flame, 153. (2008), 3, pp. 343-354, DOI No.
  71. Cong, T.L.,P. Dagaut, Experimental and Detailed Kinetic Modeling of the Oxidation of Methane and Methane/Syngas Mixtures and Effect of Carbon Dioxide Addition, Combustion Science and Technology, 180. (2008), 10-11, pp. 2046-2091, DOI No.
  72. Jallais, S., et al., An Experimental and Kinetic Study of Ethene Oxidation at a High Equivalence Ratio, Industrial & Engineering Chemistry Research, 41. (2002), 23, pp. 5659-5667, DOI No.
  73. Aliyu, M., et al., Effects of adiabatic flame temperature on flames' characteristics in a gas-turbine combustor, Energy, 243. (2022), p. 123077, DOI No.
  74. Abdelhafez, A., et al., Adiabatic Flame Temperature for Controlling the Macrostructures and Stabilization Modes of Premixed Methane Flames in a Model Gas-Turbine Combustor, Energy & Fuels, 32. (2018), 7, pp. 7868-7877, DOI No.
  75. Wu, Y., et al., A linearized error propagation method for skeletal mechanism reduction, Combustion and Flame, 211. (2020), pp. 303-311, DOI No.
  76. Zhong, Z., et al., Combustion characteristics in a supersonic combustor with ethylene injection upstream of dual parallel cavities, Proceedings of the Institution of Mechanical Engineers, Part G: Journal of Aerospace Engineering, 230. (2016), 13, pp. 2515-2522, DOI No.