Abstract
The gas-phase oxidation of ethylcyclohexane (ECH) is studied in a jet-stirred reactor (JSR) at atmospheric pressure, 480-780 K and equivalence ratios of 0.5, 1.0 and 2.0 using synchrotron VUV photoionization mass spectrometry. ECH presents more profound low-T reactivity than cyclohexane and methylcyclohexane. A series of oxidation intermediates are detected, including alkyl hydroperoxides, ketohydroperoxides and highly oxidized multifunctional molecules. For the first time, this work reports a low-temperature oxidation model of ethylcyclohexane, which can well capture the low-T reactivity and negative temperature coefficient (NTC) behavior in this work and literature work. Based on modeling analysis, the two-step O2 addition mechanism is concluded to dominate the chain branching in the first low-T decomposition region (560-600K) while the third O2 addition presents much less contribution to chain-branching.
| Original language | English (US) |
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| State | Published - 2019 |
| Event | 12th Asia-Pacific Conference on Combustion, ASPACC 2019 - Fukuoka, Japan Duration: Jul 1 2019 → Jul 5 2019 |
Conference
| Conference | 12th Asia-Pacific Conference on Combustion, ASPACC 2019 |
|---|---|
| Country/Territory | Japan |
| City | Fukuoka |
| Period | 07/1/19 → 07/5/19 |
Bibliographical note
Funding Information:The work was supported by the National Key R&D Program of China (2017YFE0123100) and National Natural Science Foundation of China (51622605, 91541201, U1832171). Constructive discussions with Prof. Zhandong Wang and technical assistance from Mr. Yitong Zhai is deeply appreciated.
Publisher Copyright:
© Asia-Pacific Conference on Combustion, ASPACC 2019.All right reserved.
ASJC Scopus subject areas
- General Chemical Engineering
- Energy Engineering and Power Technology
- Fuel Technology
- Condensed Matter Physics