Generation of reduced reaction mechanisms for heterogeneous flows in nozzles


DOI: 10.34759/trd-2020-112-6

Аuthors

Krioukov V. G.*, Abdullin A. L.**, Nikandrova M. N.***, Gasilin V. V.****

Kazan National Research Technical University named after A.N. Tupolev, 10, Karl Marks str., Kazan, 420111, Russia

*e-mail: vkrioukov@mail.ru
**e-mail: ala2000@mail.ru
***e-mail: manivik@gmail.com
****e-mail: kianu00@gmail.com

Abstract

Mathematical modeling of chemically non-equilibrium heterogeneous flows in nozzles of both solid engines and direct-flow engines with solid fuel is an urgent task of rocket engine theory. Such flows have a significant fraction of the condensed phase (possibly variable along the length of the nozzle), and are being initially described by huge reaction mechanisms. These features prevent the nozzle problems solution in a modern multidimensional formulation. These predicaments are being overcome in this article in two ways:

a) The condensed phase is being imitated by the “Large Molecules”, which allows consider it a gaseous substкance and include reactions with its participation in the initial reaction mechanism.

b) The initial mechanism is a priori redundant and includes many reactions that exercise minimum impact on the composition of the working fluid. They can be excluded practically without loss of accuracy in the characteristics computing. For this, various methods for reactions reduction can be used.

The presented article proposes a reduction procedure, consisting of two methods: DRGEP (Directed Relation Graph Error Propagation) and a method of linking with an adaptive threshold. The DRGEP method is focused on searching and removing from the reduced reaction mechanism only the substances with reactions engaging them. If insignificant reactions still remain in the mechanism, they are removed by the engagement method. The degree of the mechanism reduction depends on the reduction threshold ζL. The developed procedure requires a small amount of calculations and allows reducing the initial mechanism to a certain acceptable size, ensuring a controlled error in predicting the flow characteristics.

This procedure was applied to the task of reducing the reaction mechanism in the stream of combustion products of metallized fuel C + O + H + N + Al + Cl. The initial reaction mechanism included 33 substances and 68 reactions. The reduced mechanisms were generated at various thresholds of value of ζL = 0.02–0.12. For small ζL values, the reduction rate is = 5.0–6.5 with high accuracy in the flow characteristics predicting. Further, with an increase in ζL, the indicator increases significantly, but forecasting errors significantly rise. In the presented example, the most acceptable mechanism was generated at ζL = 0.08.

Keywords:

supersonic nozzle, heterogeneous working fluid, reaction mechanism reduction

References

  1. Naoumov V.I., Krioukov V.G., Abdullin A.L, Demin V.A. Chemical Kinetics in Combustion and Reactive Flows: Modeling Tools and Applications, Ed. Cambridge University Press, Cambridge, 2019, 442 p, available at: https://doi.org/10.1017/9781108581714

  2. F. Maggi, G. Gariani, L. Galfetti, L.T. DeLuca. Theoretical analysis of hydrides in solid and hybrid rocket propulsion, International Journal of Hydrogen Energy, 2012, vol. 37, issue 2, pp 1760 – 1769. DOI: 10.1016/j.ijhydene.2011.10.018

  3. Gidaspov V.Yu., Kononov D.S. Trudy MAI, 2019, no. 109, available at: http://trudymai.ru/eng/published.php?ID=111353

  4. Milekhin Yu.M., Popov V.S., Burskii G.V., Gusev S.A., Sadovnichii D.N. Izvestiya Rossiiskoi akademii raketnykh i artilleriiskikh nauk, 2019, no. 2 (107), pp. 51 – 57.

  5. Gidaspov V.Yu. Trudy MAI, 2016, no. 91, available at: http://trudymai.ru/eng/published.php?ID=75562

  6. Benderskii B.Ya., Chernova A.A. Trudy MAI, 2020, no. 111, available at: http://trudymai.ru/eng/published.php?ID=115104. DOI: 10.34759/trd-2020-111-5

  7. Nagy T., Turanyi T. Reduction of very large reaction mechanisms using methods based on simulation error minimization, Combustion and Flame, 2009, vol. 156, pp. 417 – 428. DOI: 10.1016/j.combustflame.2008.11.001

  8. Tianfeng L., Yiguang J., Chung K.L. Complex CSP for chemistry reduction and analysis, Combustion and Flame, 2001, vol. 126, pp. 1445 – 1455. DOI: 10.1016/S0010-2180(01)00252-8

  9. Pepiot-Desjardins P., Pitsch H. An efficient error-propagation-based reduction method for large chemical kinetic mechanisms, Combustion and Flame, 2008, vol. 154, pp. 67 – 81. DOI:10.1016/j.combustflame.2007.10.020

  10. Lebedev A.V., Okun’ M.V., Baranov A.E., Deminskii M.A. Khimicheskaya fizika i mezoskopiya, 2011, vol. 13, no. 1, pp. 43 – 52.

  11. Kryukov V.G., Abdullin A.L., Safiullin I.I. Vestnik Kazanskogo tekhnologicheskogo universiteta, 2014, vol. 17, no 11, pp. 168 – 173.

  12. Kryukov V.G., Abdullin A.L., Nikandrova M.V., Iskhakova R.L. Trudy MAI, 2019, no. 105, available at: http://trudymai.ru/eng/published.php?ID=104166

  13. Alemasov V.E., Dregalin A.F., Tishin A.P., Khudyakov V.I., et al. Termodinamicheskie i teplofizicheskie svoistva produktov sgoraniya: spravochnik (Thermodynamic and Thermophysical Properties of Combustion Products), Moscow, VINITI, 1973, vol. 3, 623 p.

  14. Dregalin A.F., Zenukov I.A., Kryukov V.G., Naumov V.I. Matematicheskoe modelirovanie vysokotemperaturnykh protsessov v energoustanovkakh (Mathematical Modeling of High-Temperature Processes in Power Generation Systems), Kazan’, Kazanskii Gosudarstvennyi Universitet, 1985, 264 p.

  15. Kryukov V.G., Abdullin A.L., Nikandrova M.V. Safiullin I.I. Izvestiya vuzov. Aviatsionnaya tekhnika, 2018, no. 4, pp. 154 – 157.

  16. Kryukov V.G., Abdullin A.L., Demin A.V., Safiullin I.I. Trudy MAI, 2017, no. 92, available at: http://trudymai.ru/eng/published.php?ID=76848

  17. Pirumov U.G., Roslyakov G.S. Gazovaya dinamika sopel (Gas Flow in Nozzles), Moscow, Nauka, 1990, 368 p.

  18. Sokolov B.I., Cherenkov A.S., Salomykov A.I., Termodinamicheskie i teplofizicheskie svoistva tverdykh raketnykh topliv i ikh produktov sgoraniya (Thermodynamic and Thermophysical Properties of Solid Rocket Fuels and Their Combustion Products), Moscow, Ministerstvo oborony SSSR, 1977, 316 p.

  19. Kondrat’ev V.N. Konstanty skorosti gazofaznykh reaktsii: spravochnik (Rate Constants for Gas-Phase Reactions), Moscow, Nauka, 1974, 512 p.

  20. George D. Recent advances in solid rocket motor perfomance prediction capatility, AIAA Pap., 1981, no. 33, available at: https://doi.org/10.2514/6.1981-33


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