| Zugriffsnummer | 43326 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | The C5 chemistry preceding the formation of polycyclic aromatic hydrocarbons in a premixed 1-pentene flame |
| Autor(in); Institution |
Ruwe, Lena; Bielefeld University, Department of Chemistry, Bielefeld, GERMANY
Cai, Liming; RWTH Aachen University, Institute for Combustion Technology, Aachen, GERMANY
Moshammer, Kai; 3.3, Physikalische Chemie, PTB-Braunschweig
Hansen, Nils; Combustion Research Facility, Sandia National Laboratories, Livermore, USA
Pitsch, Heinz; RWTH Aachen University, Institute for Combustion Technology, Aachen, GERMANY
Kohse-Höinghaus, Katharina; Bielefeld University, Department of Chemistry, Bielefeld, GERMANY
|
| Quelle/Jahr | Combustion and Flame: 206 (2019), 411 - 423 |
| ISSN | 0010-2180 (PRINT) ; 1556-2921 (ONLINE) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | 1-Pentene ; Alkene combustion ; Molecular-beam mass spectrometry ; Aromatics formation ; Chemical modeling |
| Zusammenfassung | The formation of small polycyclic aromatic hydrocarbons (PAHs) and their precursors can be strongly affected by reactions of C5 species. It is therefore valuable to understand the fuel-specific chemistry of C5 fuels, to contribute to the improvement of existing combustion models towards small PAH formation. In this study, we provide quantitative isomer-resolved species profiles measured in a laminar premixed (Φ = 1.8) low-pressure (4 kPa) flame of 1-pentene. The experimental results are accompanied with numerical simulations performed with a newly developed mechanism for C5 chemistry including PAH formation pathways. The performance of this mechanism was analyzed in detail and compared to models from the literature for the C5 chemistry by Wang et al. [JetSurF version 2.0 (2010)] and Healy et al. [Energy Fuels 24 (2010) 1521-1528], and for the small PAH chemistry by Narayanaswamy et al. [Combust. Flame 157 (2010) 1879-1898]. Special emphasis was placed on the initial fuel consumption of 1-pentene as well as on formation pathways of small aromatics. The mechanisms show differences regarding fuel decomposition and hydrocarbon growth reactions. These contribute to noticeable differences between the simulations with different models on the one hand, and deviations between model predictions and experimental results on the other. While the new model presents overall satisfactory capabilities to predict the mole fraction profiles of common combustion intermediates, the predictive capability of the literature models was not fully satisfying for some intermediate species, including C4H6, C7H8, and C10H8. The results indicate that the fuel-specific C5 reaction routes as well as the mechanism for small PAH formation need further investigation. |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften |
Zitierung
Ruwe, L., Cai, L., Moshammer, K., Hansen, N., Pitsch, H., & Kohse-Höinghaus, K. (2019). The C₅ chemistry preceding the formation of polycyclic aromatic hydrocarbons in a premixed 1-pentene flame. Combustion and Flame, 206, 411–423. https://doi.org/10.1016/j.combustflame.2019.05.013