Воспламенение смесей аммиака с компонентами модельных топлив за ударными волнами



Ignition of mixtures of ammonia with components of model fuels behind shock waves

This article presents the results of experimental measurements of ignition delay times for ammonia mixtures with popular model fuel components: n-heptane C7H16, cyclohexane C6H12, and toluene C7H8. Ignition was observed in a shock tube of standard design behind reflected shock waves. The experimental data were compared with the results of numerical simulations obtained using the latest universal kinetic mechanism C3Mech4.0.1. Excellent agreement between experiment and calculation was demonstrated for n-heptane- and cyclohexane-doped mixtures, while for toluene ones the previously reported overestimation of predicted ignition delay times was observed.

ignition, ammonia, n-heptane, cyclohexane, toluene


В статье представлены результаты экспериментальных измерений времен задержки воспламенения смесей аммиака с популярными компонентами модельных топлив, – тяжелыми углеводородами: н-гептаном C7H16, циклогексаном C6H12 и толуолом C7H8 за отраженными ударными волнами в ударной трубе стандартной конструкции. Экспериментальные данные сопоставлены с результатами численного моделирования на основе новейшего универсального механизма C3Mech4.0.1. Продемонстрировано, что для н-гептана и циклогексана наблюдается превосходное согласие эксперимента и расчета, в то время как для толуола отмечается эффект завышения предсказываемых времен задержки воспламенения, ранее наблюдавшийся в смесях аммиака с более легкими углеводородами CH4, C2H2, C2H4 и C2H6.

воспламенение, аммиак, н-гептан, циклогексан, толуол


1. Valera-Medina A., Amer-Hatem F., Azad A., Dedoussi I., Joannon M., Fernandes R., Glarborg P., Hashemi H., He X., Mashruk S., McGowan J., Mounaim-Rouselle C., Ortiz-Prado A., Ortiz-Valera A., Rossetti I., Shu B., Energy Fuels, 2021, vol. 35, p. 6964–7029 https://doi.org/10.1021/acs.energyfuels.0c03685
2. Elbaz A.M., Wang S., Guiberti T.F., Roberts W.L., Fuel Commun., 2022, vol. 10, ID 100053. https://doi.org/10.1016/j.jfueco.2022.100053
3. Potential of ammonia as fuel in shipping. European Maritime Safety Agency, Lisbon, 2023. https://www.emsa.europa.eu/newsroom/latest-news/download/7620/4833/23.html
4. Low-Emission Ammonia Data (LEAD): Vessels. Executive Summary. June 2026. Ammonia Energy Association. https://ammoniaenergy.org/wp-content/uploads/2026/06/AEA-LEAD-Vessels-Executive-Summary-June-2026.pdf
5. Albahri T.A., Ind. Eng. Chem. Res., 2003, vol. 42, p. 657-662. https://doi.org/10.1021/ie020306+
6. Maffei L.P., Langer R., Murakami Y., Wagnon S.W., Wang P., Liu J., Raza M., Zhu Y., Girhe S., Schwenzer C., Beeckmann J., Klippenstein S.J., Faravelli T., Pitsch H., Senecal P.K., Curran H.J. Appl. Energy Combust. Sci., 2025, vol. 24, ID 100385. https://doi.org/10.1016/j.jaecs.2025.100385
7. Maffei L.P., Langer R., Murakami Y., Wagnon S.W., Wang P., Liu J., Raza M., Zhu Y., Girhe S., Schwenzer C., Beeckmann J., Klippenstein S.J., Faravelli T., Pitsch H., Senecal P.K., Curran H.J. Appl. Energy Combust. Sci., 2026, vol. 26, ID 100462. https://doi.org/10.1016/j.jaecs.2026.100462
8. Official C3Mech repository https://github.com/C3Mech/C3Mech
9. Szanthoffer A.G., Papp M., Nagy T., Turányi T. Combust. Flame, 2026, vol. 287, ID 114878. https://doi.org/10.1016/j.combustflame.2026.114878
10. Zhu Y, Curran HJ, Girhe S, Murakami Y, Pitsch H, Senecal K, Yang L, Zhou CW., Combust Flame., 2024, vol. 260, ID 113239. https://dx.doi.org/10.1016/ j.combustflame.2023.113239
11. Girhe S., Snackers A., Lehmann T., Langer R., Loffredo F., Glaznev R., Beeckmann J., Pitsch H. Combust Flame, 2024, vol. 267, ID 113560. https://dx.doi.org/10.1016/j.combustflame.2024.113560
12. Zhang X., Yalamanchi K.K., Sarathy S.M. Fuel, 2023, vol. 341, ID 127676. https://doi.org/10.1016/j.fuel.2023.127676
13. Drakon A.V., Eremin A.V. Kinet. Catal., 2025, vol. 66, p. 606–617. https://doi.org/10.1134/S002315842560052X
14. Browne S., Ziegler J., Bitter N., Schmidt B., Lawson J., Shepherd J., SDToolbox––Numerical Tools for Shock and Detonation Wave Modeling // Explosion Dynamics Laboratory GALCIT. Technical Report. 2018. URL: https://shepherd.caltech.edu/EDL/PublicResources/sdt/doc/ShockDetonation/ShockDetonation.pdf
15. Burcat A., Ruscic B. Third millenium ideal gas and condensed phase thermochemical database for combustion with updates from active thermochemical tables // Report ANL-05/20 Argonne, Illinois: Chemistry Division, Argonne National Laboratory, 2005.
16. Loukhovitski B.I., Sharipov A.S., Combust. Flame, 2025, vol. 272, ID 113865. https://doi.org/10.1016/j.combustflame.2024.113865
17. Capriolo G., Issayev G., Zhu X., Vargas J., Guiberti T.F., Combust. Flame, 2024, vol. 260, ID 113258. https://doi.org/10.1016/j.combustflame.2023.113258
18. Bystrov N., Emelianov A., Kurbatova E., Yatsenko P., Combust. Flame, 2026, vol. 290, ID 115051. https://doi.org/10.1016/j.combustflame.2026.115051
19. Drakon A.V., Eremin A.V., Kolotushkin R.N. Korshunova M.R. Mikheyeva E.Yu., Khodyko E.S., Vestnik OIVT, vol. 20, p. 31-38. https://vestnik.jiht.ru/articles/article_meta.php?id=1034
20. Goodwin, D.G., Moffat, H.K., Schoegl, I., Speth, R.L., and Weber, B.W., Cantera: An object-oriented software toolkit for chemical kinetics, thermodynamics, and transport processes, 2024, V.3.1.0. https://doi.org/10.5281/zenodo.14455267
21. Chaos M., Dryer F.L., Int. J. Chem. Kinet., 2010, vol. 42, p. 143-150. https://doi.org/10.1002/kin.20471
22. Li R., Konnov A.A., He G., Qin F., Zhang D., Fuel, 2019, vol. 257, ID 116059. https://doi.org/10.1016/j.fuel.2019.116059
23. Xie J., Song J., Konnov A.A., Su B., Wang T., Sun K., Combust. Flame, 2025, vol. 274, ID 113966. https://doi.org/10.1016/j.combustflame.2025.113966
24. Shen H.P.S., Oehlschlaeger M.A., Combust. Flame, 2009, vol. 156, p. 1053–1062. https://doi.org/10.1016/j.combustflame.2008.11.015
25. Zhang Y., Somers K.P., Mehl M., Pitz W.J., Cracknell R.F., Curran H.J., Proc. Combust. Inst., 2017, vol. 36, p. 413–421. https://doi.org/10.1016/j.proci.2016.06.190