| Zugriffsnummer | 50291 |
| Dokumenttyp | Zeitschriftenartikel |
| Peer Review | unbekannt |
| Sprache | Englisch |
| Titel | Exploring low-temperature oxidation chemistry of 2- and 3-pentanone |
| Autor(in); Institution |
Kang, Shiging; Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, CHINA
Liao, Wanxiong; Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, CHINA
Sun, Wenyu; Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, CHINA
Lin, Keli; Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, CHINA
Liao, Handong; Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, CHINA
Dagaut, Philippe; CNRS-INSIS, I.C.A.R.E.,1C, Orléans, FRANCE
Hansen, Nils; Combustion Research Facility, Sandia National Laboratories, Livermore, CA , USA
Yang, Bin; Center for Combustion Energy and Key Laboratory for Thermal Science and Power Engineering of MOE, Tsinghua University, Beijing, CHINA
|
| Quelle/Jahr | Combustion and Flame: 257, Part 1 (2022), 1 - 13 |
| Artikelnummer | 112561 |
| ISSN | 0010-2180 (print) ; 1556-2921 (online) |
| DOI | |
| Verlag | Amsterdam: Elsevier |
| Freie Schlagworte | 2-pentanone ; 3-pentanone ; Jet-stirred reactor ; Rapid compression machine ; Photoionization mass spectrometry ; Ignition delay time |
| Zusammenfassung | The low-temperature oxidation chemistry of 2- and 3-pentanone was investigated over a wide range of conditions using a jet-stirred reactor (JSR) and a rapid compression machine (RCM). The JSR oxidation experiment was performed at the pressure of 93.3 kPa over a temperature range of 600-1000 K. Detailed speciation information was obtained using synchrotron vacuum ultraviolet photoionization mass spectrometry. Ignition delay times (IDTs) of 2- and 3-pentanone were measured in an RCM from 640 to 820 K at pressures of 15 and 25 bar and an equivalence ratio of 1.0. The two C5 ketones showed NTC behavior and two-stage ignition phenomena. Mole fraction time histories of intermediate species during the two-stage ignition process of both ketones were obtained using a fast-sampling system coupled with gas chromatography. There are distinct differences between 2- and 3-pentanone in species concentration profiles and IDTs. A kinetic mechanism for the low-temperature oxidation of 2- and 3-pentanone was developed, which can satisfactorily predict all available measurements. The reaction path analyses indicate that the intramolecular hydrogen migration reaction of ROO radicals tends to produce resonance-stabilized QOOH radical structures. The secondary oxygen addition reaction of resonance-stabilized QOOH radicals thus is the most important source of OH radicals in the low-temperature oxidation of ketone fuels. The intramolecular hydrogen migration reactions are slowed down in the presence of the carbonyl functional group, which makes the low-temperature reactivity of the two C5 ketones lower than that of n-pentane. The position of the carbonyl functional group affects the species pools during the oxidation of the two ketones to a great extent. Larger production of CH4, C3H6, CH3COCH3, and C2H5CHO were observed in 2-pentanone oxidation, while the production of CH3CHO was favored during 3-pentanone oxidation both in the JSR and RCM experiments. The different lengths of the carbon chain on both sides of the carbonyl group in 2- and 3-pentanone resulted in the difference in the species distribution. |
| Themenbereich der Metrologie | Metrologie in der Chemie und Stoffeigenschaften |