| Zugriffsnummer | 43325 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Chemical insights into the larger sooting tendency of 2-methyl-2-butene compared to n-pentane |
| Autor(in); Institution |
León, Larisa; Brandenburg University of Technology, Thermodynamics and Thermal Process Engineering, Cottbus, GERMANY
Ruwe, Lena; Bielefeld University, Department of Chemistry, Bielefeld, GERMANY
Moshammer, Kai; 3.3, Physikalische Chemie, PTB-Braunschweig
Seidel, Lars; LOGE Deutschland GmbH, Cottbus, GERMANY
Shrestha, Krishna P.; Brandenburg University of Technology, Thermodynamics and Thermal Process Engineering, Cottbus, GERMANY
Wang, Xiaoxiao; Brandenburg University of Technology, Thermodynamics and Thermal Process Engineering, Cottbus, GERMANY
Mauss, Fabian; Brandenburg University of Technology, Thermodynamics and Thermal Process Engineering, Cottbus, GERMANY
Kohse-Höinghaus, Katharina; Bielefeld University, Department of Chemistry, Bielefeld, GERMANY
Hansen, Nils; Combustion Research Facility, Sandia National Laboratories, Livermore, USA
|
| Quelle/Jahr | Combustion and Flame: 208 (2019), 182 - 197 |
| ISSN | 0010-2180 (PRINT) ; 1556-2921 (ONLINE) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | 2-Methyl-2-butene ; n-Pentane ; Laminar premixed flames ; Molecular-beam mass spectrometry ; Kinetic modeling ; PAH formation |
| Zusammenfassung | A comprehensive, chemically detailed mechanism for the combustion of 2-methyl-2-butene and n-pentane is presented to provide insights into the different sooting tendencies of these two structurally different C5 hydrocarbons. A hierarchically assembled mechanism has been developed to specifically target speciation data from low-pressure premixed flames of 2-methyl-2-butene [Ruwe et al., Combust. Flame, 175, 34-46, 2017] and newly measured mole fraction data for a fuel-rich (:Phi.=1.8) n-pentane flame, in which species profiles up to phenol were quantified. The partially isomer-resolved chemical composition of this flame was determined using flame-sampling molecular-beam mass spectrometry with single-photon ionization by tunable, synchrotron-generated vacuum-ultraviolet radiation. The presented model, which includes a newly determined, consistent set of the thermochemistry data for the C5 species, presents overall satisfactory capabilities to predict the mole fraction profiles of common combustion intermediates. The analysis of the model predictions revealed the fuel-structure dependencies (i.e. saturated vs. unsaturated and linear vs. branched) of the formation of small aromatic species that are considered as soot precursors. The propensity of the 2-methyl-2-butene flame to form larger concentrations of aromatic species was traced back to the readily available formation routes of several small precursor molecules and the efficient formation of "first aromatic rings" beyond benzene. |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften |
Zitierung
León, L., Ruwe, L., Moshammer, K., Seidel, L., Shrestha, K. P., Wang, X., Mauss, F., Kohse-Höinghaus, K., & Hansen, N. (2019). Chemical insights into the larger sooting tendency of 2-methyl-2-butene compared to n-pentane. Combustion and Flame, 208, 182–197. https://doi.org/10.1016/j.combustflame.2019.06.029