| Zugriffsnummer | 46255 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | mit Peer Review |
| Sprache | Englisch |
| Titel | Exploring the interaction kinetics of butene isomers and NOx at low temperatures and diluted conditions |
| Autor(in); Institution |
Gossler, Sabrina; Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), Karlsruhe, GERMANY
Ruwe, Lena; 3.7, Grundlagen des Explosionsschutzes, PTB-Braunschweig; Bielefeld University, Department of Chemistry, Bielefeld, GERMANY
Yuan, Wenhao; Key Laboratory for Power Machinery and Engineering of MOE, Shanghai Jiao Tong University, Shanghai, CHINA
Yang, Jiuzhong; National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, CHINA
Chen, Xiamin; Key Laboratory for Power Machinery and Engineering of MOE, Shanghai Jiao Tong University, Shanghai, CHINA
Schmitt, Steffen; Department of Chemistry, Bielefeld University, Bielefeld, GERMANY
Maier, Lubow; Institute for Catalysis Research and Technology (IKFT), Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen, GERMANY
Kohse-Höinghaus, Katharina; Department of Chemistry, Bielefeld University, Bielefeld, GERMANY
Qi, Fei; Key Laboratory for Power Machinery and Engineering of MOE, Shanghai Jiao Tong University, Shanghai, CHINA
Deutschmann, Olaf; Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), Karlsruhe, GERMANY; Institute for Catalysis Research and Technology (IKFT), Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen, GERMANY
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| Quelle/Jahr | Combustion and Flame: 223 (2021), 1 - 16 |
| Artikelnummer | 111557 |
| ISSN | 0010-2180 (PRINT) ; 1556-2921 (ONLINE) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | Oxidation of butene isomers ; NO butene interaction ; Chemical kinetics ; Low-temperature chemistry ; SVUV-PIMS ; Flow reactor ; Combustion exhaust gases |
| Zusammenfassung | The oxidation of 1-butene and i-butene with and without addition of 1000 ppm NO was experimentally and numerically studied primarily at fuel-rich (ϕ = 2.0) conditions under high dilution (96% Ar) in a flow reactor operated at atmospheric pressure in the low temperature range of approximately 600-1200 K. Numerous intermediate species were detected and quantified using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). An elementary-step reaction mechanism consisting of 3996 reactions among 682 species, based on literature and this work, was established to describe the reactions and interaction kinetics of the butene isomers with oxygen and nitrogenous components. Model predictions were compared with the experimental results to gain insight into the low- and high-temperature fuel consumption without and with NO addition and thus the respective interaction chemistry. This investigationfirstly contributes a consistent set of temperature-dependent concentration profiles for these two butene isomers under conditions relevant for engine exhaust gases. Secondly, the observed oxidation kinetics is significantly altered with the addition of NO. Specifically, NO promotes fuel consumption and introduces for i-butene a low-temperature behavior featuring a negative temperature coefficient (NTC) region. The present model shows reasonable agreement with the experimental results for major products and intermediate species, and it is capable to explain the promoting effect of NO that is initiated by its contribution to the radical pool. Further, it can describe the observed NTC region for the i-butene/NO mixture as a result of the competition of chain propagation and chain terminating reactions that were identified by reaction flow and sensitivity analyses. |
| Kostenfreier Zugang | Open Access Hybrid |
| Rechteinformation | CC BY 4.0 ; Creative Commons Attribution 4.0 License |
| Themenbereich der Metrologie | Physikalische Sicherheitstechnik, Explosionsschutz |
Zitierung
Gossler, S., Ruwe, L., Yuan, W., Yang, J., Chen, X., Schmitt, S., Maier, L., Kohse-Höinghaus, K., Qi, F., & Deutschmann, O. (2021). Exploring the interaction kinetics of butene isomers and NOx at low temperatures and diluted conditions. Combustion and Flame, 223, 1–16. https://doi.org/10.1016/j.combustflame.2021.111557