| Zugriffsnummer | 40852 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Insights into the oxidation kinetics of a cetane improver - 1,2-dimethoxyethane (1,2-DME) with experimental and modeling methods |
| Autor(in); Institution |
Sun, Wenyu; Tsinghua University, Department of Energy and Power Engineering, Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Beijing, CHINA
Lailliau, Maxence; CNRS-INSIS, Institut de Combustion, Aérothermique, Réactivité et Environnement, Orléans, FRANCE; Université d'Orléans, Orléans, FRANCE
Serinyel, Zeynep; CNRS-INSIS, Institut de Combustion, Aérothermique, Réactivité et Environnement, Orléans, FRANCE; Université d'Orléans, Orléans, FRANCE
Dayma, Guillaume; CNRS-INSIS, Institut de Combustion, Aérothermique, Réactivité et Environnement, Orléans, FRANCE; Université d'Orléans, Orléans, FRANCE
Moshammer, Kai; 3.3, Thermophysikalische Größen, PTB-Braunschweig
Hansen, Nils; Combustion Research Facility, Sandia National Laboratories, Livermore, USA
Yang, Bin; Tsinghua University, Department of Energy and Power Engineering, Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Beijing, CHINA
Dagaut, Philippe; CNRS-INSIS, Institut de Combustion, Aérothermique, Réactivité et Environnement, Orléans, FRANCE
|
| Quelle/Jahr | Proceedings of the Combustion Institute: 37 (2019), 1, 555 - 564 |
| ISSN | 1540-7489 (PRINT) ; 1540-7489 (ONLINE) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | 1,2-dimethoxyethane ; Jet-stirred reactor ; Low-temperature oxidation ; Kinetic model ; Photoionization molecular-beam mass spectrometry |
| Zusammenfassung | A kinetic investigation was carried out in this work for an oxygenated fuel additive, 1,2-dimethoxyethane (1,2-DME) to reveal the oxidation chemistry responsible for its practical function as a cetane improver. Experiments were conducted for 1,2-DME/O2/N2 mixtures with different equivalence ratios (0.5, 1.0 and 2.0) in a high-pressure (10 atm) jet-stirred reactor (JSR) facility over the temperature range of 450-1100 K. Species concentration evolutions with the temperature were monitored with on-line Fourier transform infrared (FTIR) spectrometry and off-line gas chromatography (GC). The technique of photoionization molecular-beam mass spectrometry (PI-MBMS) was combined with another JSR setup operated at near-atmospheric pressure (700 Torr), for the purpose of probing reactive intermediates from 1,2-DME oxidation. A kinetic model was constructed based on the "reaction classes" strategy, which could satisfactorily predict speciation measurements in the current work. Pronounced low-temperature reactivity of 1,2-DME was observed under all investigated conditions, and crucial intermediates like ketohydroperoxides were detected with the PI-MBMS. Some specificities of 1,2-DME oxidation were elucidated through further model interpretations. The double ether groups imbedded in the fuel molecule make hydrogen abstractions easier and meanwhile hinder the chain-terminating concerted eliminations, so the low-temperature reactivity starts at relatively low temperatures (compared to n-hexane for example). Chain-branching reaction sequences following the second O2 additions proceed in the oxidizing mixtures, leading to the remarkable low-temperature reactivity of 1,2-DME which can be utilized as a cetane-improver. |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften |
Zitierung
Sun, W., Lailliau, M., Serinyel, Z., Dayma, G., Moshammer, K., Hansen, N., Yang, B., & Dagaut, P. (2019). Insights into the oxidation kinetics of a cetane improver - 1,2-dimethoxyethane (1,2-DME) with experimental and modeling methods. Proceedings of the Combustion Institute, 37(1), 555–564. https://doi.org/10.1016/j.proci.2018.06.077