Speaker
Description
The characterization of carbon monoxide thermochemistry is critical for aero-thermodynamic modeling of Mars and Venus atmospheric entry, where CO, resulting from carbon dioxide dissociation, is a predominant species in the high-enthalpy shock layer [1].
Accurate predictions of the shock layer properties rely on the fidelity of the underlying kinetic models. To this aim, the experimental campaign conducted by Cruden et al. [2] at the NASA Ames EAST facility characterized incident shock waves in pure CO (0.25 Torr, 3.4 - 9.5 km/s) using emission and absorption spectroscopy to determine temperature relaxation profiles behind the shock front. A key outcome of their analysis demonstrated that current kinetic parameters from the literature fail to uniformly predict CO dissociation rates across the entire velocity spectra, matching the experimental data only within restricted bounds. This discrepancy highlights the need to improve the modeling of CO dissociation and C$_2$ exchange pathways.
Based on these premises, the present work aims to numerically reproduce the EAST experiments with the code GPKin [3] applied to 1D shock tube calculation by implementing a state-to-state kinetic model for pure CO focusing on the CO dissociation [4-8], energy transfer vibration-translation (VT) and vibration-vibration (VV) processes [9-11].
Temperature profiles are here compared with literature experimental results [2]. Moreover, species mole fractions and CO vibrational distributions predicted by the numerical solver are here shown and discussed.
References
[1] P. A. Gnoffo, Planetary-Entry Gas Dynamics, Annual Review of Fluid Mechanics, 31 (1999) 459; 10.1146/annurev.fluid.31.1.459.
[2] B. A. Cruden, A. M. Brandis, and M. E. MacDonald,Characterization of CO Thermochemistry in Incident Shockwaves, 2018 Joint Thermophysics and Heat Transfer Conference, AIAA AVIATION Forum, American Institute of Aeronautics and Astronautics (2018); 10.2514/6.2018-3768.
[3] G. Colonna, M. Capitelli and L. D. Pietanza, Self-consistent kinetics, in Plasma Modeling (Second Edition) Methods and applications, ch. 9 ed. G. Colonna and A. D'Angola (IOP Series in Plasma Physics); 10.1088/978-0-7503-3559-1ch9
[4] J. P. Appleton, M. Steinberg, and D. J. Liquornik, Shock-Tube Study of Carbon Monoxide Dissociation Using Vacuum-Ultraviolet Absorption, The Journal of Chemical Physics, 52, 5, 2205 (1970); 10.1063/1.1673286.
[5] C. O. Johnston and A. M. Brandis,Modeling of nonequilibrium CO Fourth-Positive and CN Violet emission in CO$_2$–N$_2$ gases, Journal of Quantitative Spectroscopy and Radiative Transfer, 149, 303 (2014); 10.1016/j.jqsrt.2014.08.012.
[6] C. Park, J. T. Howe, R. L. Jaffe, and G. V. Candler, Review of Chemical-Kinetic Problems of Future NASA Missions, II: Mars Entries, Journal of Thermophysics and Heat Transfer, 8, 1 (1994); 10.2514/3.496.
[7] C. Park,Rate Parameters for Electronic Excitation of Diatomic Molecules II. Heavy Particle-Impact Processes, 46th AIAA Aerospace Sciences Meeting and Exhibit, AIAA 2008-1446, American Institute of Aeronautics and Astronautics, Reno, NV, USA (2008); 10.2514/6.2008-1446.
[8] R. L. Macdonald, A. Munafò, C. O. Johnston, and M. Panesi, Nonequilibrium radiation and dissociation of CO molecules in shock-heated flows, Physical Review Fluids, 1, 4, 043403 (2016); 10.1103/PhysRevFluids.1.043403.
[9] C. Gorse, M. Cacciatore, and M. Capitelli, Shock Processes in Non-Equilibrium Carbon Monoxide Plasmas. I. Vibrational Kinetics and Dissociation Rates, Chemical Physics 85 (1984) 165-176; 10.1016/0301-0104(84)85030-2
[10] Q. Hong, L. Storchi, C. Bolelli, J. Li, Q. Sun, and J. Li, Quantum-Classical Rate Coefficients of Vibrational Energy Transfer in Carbon Monoxide Based on Highly Accurate Potential Energy Surface, The Journal of Chemical Physics, 138, 7, 074304 (2013); 10.1063/1.4798661.
[11] M. Cacciatore and G. D. Billing,Semi-Classical Calculation of VV and VT Rate Coefficients in CO, Chemical Physics 58 (1981): 395-407.
Summary
Development of a state-to-state kinetic model for pure CO mixture applied to 1D shock tube case for Mars atmospheric entry missions.