| Zugriffsnummer | 44734 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Entanglement of n-heptane and iso-butanol chemistries in flames fueled by their mixtures |
| Autor(in); Institution |
Braun-Unkhoff, Marina; German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, GERMANY
Hansen, Nils; Combustion Research Facility, Sandia National Laboratories, Livermore, USA
Dietrich, Maximilian; German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, GERMANY
Methling, Torsten; German Aerospace Center (DLR), Institute of Combustion Technology, Stuttgart, GERMANY
Moshammer, Kai; 3.3, Physikalische Chemie, PTB-Braunschweig
Yang, Bin; Tsinghua University, Center for Combustion Energy, Department of Thermal Engineering, Beijing, CHINA
|
| Quelle/Jahr | Proceedings of the Combustion Institute: 38 (2020), 2, 2387 - 2395 |
| ISSN | 1540-7489 (PRINT) ; 1540-7489 (ONLINE) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | heptane ; iso-butanol ; flame-sampling mass spectrometry ; chemically detailed modeling |
| Zusammenfassung | This paper concerns itself with the entanglement of the high-temperature oxidation chemistry of n-heptane and iso-butanol in flames fueled by their mixtures. While in many cases the chemistries of the individual fuel components do not interact in mixture flames, in this work, we revealed interactions between the individual species pools originating from n-heptane and iso-butanol oxidation. In a coordinated experimental and modeling effort, chemical structures of three low-pressure premixed flames fueled by different blends of n-heptane and iso-butanol were determined using flame-sampling molecular-beam mass spectrometry with synchrotron-based single-photon ionization and chemical kinetic modeling. The chemical kinetic model, which is based on the reaction set that was used previously [Braun-Unkhoff et al., Proc. Combust. Inst., 2017, 36, 1311-1319], was now extended by a n-heptane sub-mechanism. The overall good performance of the model allows for an extraction of chemically relevant information that highlights the entanglement between the individual fuel-specific species pools. For example, it was shown that methyl radicals, in part from iso-butanol oxidation (i.e., from the decomposition of α-iso-butanol radicals) can participate in n-heptane consumption processes through H-abstraction reactions. Further interactions are related to the formation of the methylallyl radical and aromatics formation. The relevance of such interactions is also discussed regarding the formation of oxygenated byproducts. |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften |
Zitierung
Braun-Unkhoff, M., Hansen, N., Dietrich, M., Methling, T., Moshammer, K., & Yang, B. (2020). Entanglement of n-heptane and iso-butanol chemistries in flames fueled by their mixtures. Proceedings of the Combustion Institute, 38(2), 2387–2395. https://doi.org/10.1016/j.proci.2020.06.103