| Zugriffsnummer | 54808 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Probing the reactivity of ammonia/C1 mixtures using shock tube coupled with laser absorption spectroscopy |
| Autor(in); Institution |
Farzana, Nafi; 3.3, Physikalische Chemie, PTB-Braunschweig
Karas, Henrique; Mechanical Engineering Department, Instituto Superior Técnico, Lisboa, PORTUGAL
Zhu, Denghao; School of Energy and Environment, Southeast University, Nanjing, CHINA
Parambath, Hari Prasad; Department of Circular Chemical Engineering, Faculty of Science and Engineering, Maastricht University, Maastricht, THE NETHERLANDS
|
| Quelle/Jahr | Combustion and Flame: 278 (2025), 1 - 15 |
| Artikelnummer | 114278 |
| ISSN | 0010-2180 (print) ; 1556-2921 (online) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | Ammonia ; C1 molecule ; Laser absorption spectroscopy ; Shock tube ; Multi-speciation ; Ignition delay time |
| Zusammenfassung | Ignition delay times (IDT) and speciation profiles (NH3, NO, and CO) were measured for NH3C1 fuel blends (NH3/CO, NH3/CH4, NH3/CH3OH) in a shock tube using laser absorption spectroscopy. Experiments spanned equivalence ratios of 0.5–1.5, 5–20% C1 additives, and temperatures of 1477–2236 K at around 2.5 bar. The experimental data were validated against the simulation results from the PTB-NH3/C2 1.1 mechanism, which demonstrated robust performance across all mixtures. Methanol significantly enhances ignition reactivity, resulting in the shortest IDTs among the three C1 additives. Combining the findings from our prior studies, the IDT reduction order by different hydrocarbons at high temperatures is: C2H5OH ≈ C2H6 > CH2OH > CH4 > CO, indicating that high temperature favors C3 compounds. While at intermediate temperatures and high pressures, where the functional groups dominate, the reactivity order is: C2H5OH > CH3OH > C2H6 > CH4, as alcohols enhance reactivity stronger than alkanes. Kinetic modeling analysis identified NH2 as a key intermediate in NH3 oxidation, following the primary pathway NH3 → NH2 → NH → N → NO. For NH3/CO, CO contributed to secondary branching intermediates like HNCO through reactions like NH2 + CO = HNCO + H, influencing nitrogen-carbon interactions. In NH3/CH4, hydrocarbon oxidation promoted CO and CH2O formation, with limited CN cross-reactions. NH3/CH3OH pathways exhibited unique CH3O and CH2OH radical dynamics, facilitating prolonged CO formation and unique broader CO peaks under fuel-rich conditions. While the PTB-NH3/C2 1.1 mechanism captured most trends, discrepancies emerged at lower temperatures and fuel-rich conditions, underscoring the need for further improvement in future. Measuring more intermediate species such as N2 O, NO2, and CH2 O would also benefit model validation. |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften ; Physikalische Sicherheitstechnik, Explosionsschutz |
| Förderinformationen (1) |
Förderername: Deutsche Forschungsgemeinschaft (DFG)
Förderer ID: 0000 0001 2096 9829 Förderer ID Typ: ISNI Förderungsnummer: FOR5507 |
Zitierung
Farzana, N., Karas, H., Zhu, D., Li, M., Agarwal, S., Parambath, H. P., Fernandes, R., & Shu, B. (2025). Probing the reactivity of ammonia/C₁ mixtures using shock tube coupled with laser absorption spectroscopy. Combustion and Flame, 278, 1–15. https://doi.org/10.1016/j.combustflame.2025.114278