| Zugriffsnummer | 39166 |
| Dokumenttyp | Zeitschriftenartikel |
| Sprache | Englisch |
| Titel | n-Heptane cool flame chemistry : unraveling intermediate species measured in a stirred reactor and motored engine |
| Autor(in); Institution |
Wang, Zhandong; King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, SAUDI ARABIA
Chen, Bingjie; King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, SAUDI ARABIA
Moshammer, Kai; 3.3, Thermophysikalische Größen, PTB-Braunschweig
Popolan-Vaida, Denisia M; University of California, Department of Chemistry, Berkeley, USA; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, USA
Sioud, Salim; King Abdullah University of Science and Technology (KAUST), Analytical Core Lab, Thuwal, SAUDI ARABIA
Shankar, Vijai Shankar Bhavani; King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, SAUDI ARABIA
Vuilleumier, David; Combustion Research Facility, Sandia National Laboratories, Livermore, USA
Tao, Tao; Combustion Research Facility, Sandia National Laboratories, Livermore, USA; Tsinghua University, Center for Combustion Energy and Department of Thermal Engineering, Beijing, CHINA
Ruwe, Lena; Bielefeld University, Department of Chemistry, Bielefeld, GERMANY
Hansen, Nils; Combustion Research Facility, Sandia National Laboratories, Livermore, USA
Dagaut, Philippe; Centre National de la Recherche Scientifique (CNRS), Orléans, FRANCE
Kohse-Höinghaus, Katharina; Department of Chemistry, Bielefeld University, Bielefeld, GERMANY
Raji, Misjudeen A.; King Abdullah University of Science and Technology, Analytical Core Lab, Thuwal, SAUDI ARABIA
Sarathy, Mani S.; King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, SAUDI ARABIA
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| Quelle/Jahr | Combustion and Flame: 187 (2018), 199 - 216 |
| ISSN | 0010-2180 (PRINT) ; 1556-2921 (ONLINE) |
| DOI | |
| Verlag | Amsterdam [u.a.]: Elsevier |
| Freie Schlagworte | n-heptane ; auto-oxidation ; peroxides ; synchrotron VUV photoionization mass spectrometry ; APCI Orbitrap mass spectrometry |
| Zusammenfassung | This work identifies classes of cool flame intermediates from n-heptane low-temperature oxidation in a jet-stirred reactor (JSR) and a motored cooperative fuel research (CFR) engine. The sampled species from the JSR oxidation of a mixture of n-heptane/O2/Ar (0.01/0.11/0.88) were analyzed using a synchrotron vacuum ultraviolet radiation photoionization (SVUV-PI) time-of-flight molecular-beam mass spectrometer (MBMS) and an atmospheric pressure chemical ionization (APCI) Orbitrap mass spectrometer (OTMS). The OTMS was also used to analyze the sampled species from a CFR engine exhaust. Approximately 70 intermediates were detected by the SVUV-PI-MBMS, and their assigned molecular formulae are in good agreement with those detected by the APCI-OTMS, which has ultra-high mass resolving power and provides an accurate elemental C/H/O composition of the intermediate species. Furthermore, the results show that the species formed during the partial oxidation of n-heptane in the CFR engine are very similar to those produced in an ideal reactor, i.e., a JSR. The products can be classified by species with molecular formulae of C7H14Ox (x=0-5), C7H12Ox (x=0-4), C7H10Ox (x=0-4), CnH2n (n=2-6), CnH2n-2 (n=4-6), CnH2n+2O (n=1-4, 6), CnH2nO (n=1-6), CnH2n-2O (n=2-6), CnH2n-4O (n=4-6), CnH2n+2O2 (n=0-4, 7), CnH2nO2 (n=1-6), CnH2n-2O2 (n=2-6), CnH2n-4O2 (n=4-7), and CnH2nO3 (n=3-6). The identified intermediate species include alkenes, dienes, aldehyde/keto compounds, olefinic aldehyde/keto compounds, diones, cyclic ethers, peroxides, acids, and alcohols/ethers. Reaction pathways forming these intermediates are proposed and discussed herein. These experimental results are important in the development of more accurate kinetic models for n-heptane and longer-chain alkanes. |
Zitierung
Wang, Z., Chen, B., Moshammer, K., Popolan-Vaida, D. M., Sioud, S., Shankar, V. S. B., Vuilleumier, D., Tao, T., Ruwe, L., Hansen, N., Dagaut, P., Kohse-Höinghaus, K., Raji, M. A., & Sarathy, M. S. (2018). n-Heptane cool flame chemistry : unraveling intermediate species measured in a stirred reactor and motored engine. Combustion and Flame, 187, 199–216. https://doi.org/10.1016/j.combustflame.2017.09.003