| Zugriffsnummer | 48677 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure |
| Autor(in); Institution |
Li, Mengdi; 3.3, Physikalische Chemie, PTB-Braunschweig
He, Xiaoyu; 3.3, Physikalische Chemie, PTB-Braunschweig
Hashemi, Hamid; DTU Chemical Engineering, Technical University of Denmark (DTU), Lyngby, DENMARK
Glarborg, Peter; DTU Chemical Engineering, Technical University of Denmark (DTU), Lyngby, DENMARK
Lowe, Vincent M.; Department of Chemistry and Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, USA
Marshall, Paul; Department of Chemistry and Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, USA
Fernandes, Ravi; 3.3, Physikalische Chemie, PTB-Braunschweig
Shu, Bo; 3.3, Physikalische Chemie, PTB-Braunschweig
|
| Quelle/Jahr | Combustion and Flame: 242 (2022), 1 - 11 |
| Artikelnummer | 112160 |
| ISSN | 0010-2180 (PRINT) ; 1556-2921 (ONLINE) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Zusammenfassung | A rapid compression machine (RCM) has been applied to measure the ignition delay times of NH3/CH3OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5, 1.0 and 2.0, and temperatures between 845 and 1100 K. The measurements show that the NH3/CH3OH mixtures become more reactive with increasing methanol addition. Addition of merely 1% (molar basis) of CH3OH to NH3 lowers the ignition temperature around 100 K at 40 bar in comparison to pure NH3. The ignition delay is a complex function of fuel mixture and stoichiometry. For the 1% CH3OH mixture, the leaner mixtures are more reactive, while the reverse trend is found for mixtures with 5%, 20% and pure CH3OH. Analysis of the pressure profiles shows three distinct ignition modes for NH3/CH3OH mixtures, facilitated by the pre-ignition heat release from NH3 consumption. A detailed mechanism for ignition of NH3/CH3OH fuel blends has been developed, capable of reproducing the ignition behavior of mixtures with reasonable accuracy. A subset for amine/methanol interactions was established, with rate constants for the key reaction between NH2 and CH3OH calculated from ab initio theory. A sensitivity analysis indicates that the critical reactions during the auto-ignition process vary with the CH3OH mole fraction in the fuel. The ammonia chemistry, namely NH2 + NO, NH2 + NO2 and NH2 + HO2, is dominant for the mixture with 1% CH3OH, while the reactions related to CH3OH and H2O2 are more important for the 20% CH3OH mixture. The interaction between ammonia and methanol shows a more prominent effect on auto-ignition for mixtures with 5% CH3OH in fuel as compared to those with 1% and 20% CH3OH. According to the modeling results, methanol addition is found to enrich the O/H radical pool, consuming ammonia and promoting auto-ignition through different reaction pathways |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften |
| Förderinformationen (1) |
Förderername: China Scholarship Council (CSC)
Förderer ID: 0000 0004 5901 196X Förderer ID Typ: ISNI Förderprogramm: PhD Program Förderungsnummer: 202006260031 |
Zitierung
Li, M., He, X., Hashemi, H., Glarborg, P., Lowe, V. M., Marshall, P., Fernandes, R., & Shu, B. (2022). An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure. Combustion and Flame, 242, 1–11. https://doi.org/10.1016/j.combustflame.2022.112160