Experimental and Modeling Study of Low Temperature Oxidation of Iso-propylbenzene with JSR
| Autor: | Jun-Jie Weng, Yue-Xi Liu, Bing-Yin Wang, Zhen-Yu Tian |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
010304 chemical physics
Atmospheric pressure Chemistry General Chemical Engineering Radical Energy Engineering and Power Technology 02 engineering and technology Atmospheric temperature range Mole fraction 01 natural sciences Propylbenzene Fuel Technology 020401 chemical engineering 0103 physical sciences Physical chemistry 0204 chemical engineering |
| Zdroj: | Energy & Fuels. 32:8781-8788 |
| ISSN: | 1520-5029 0887-0624 |
| DOI: | 10.1021/acs.energyfuels.8b01492 |
| Popis: | Oxidation of iso-propylbenzene (IPB) has been studied over the temperature range from 700 to 1100 K in a jet-stirred reactor (JSR) at low-temperature, which is operated at atmospheric pressure from fuel-lean to fuel-rich condition with residence time from 1.06 to 1.67 s. Reactants and 25 species were identified and quantified by online GC-MS and GC analysis. A new model involving 306 species and 1985 reactions for low-temperature oxidation of IPB was developed, whose predictions were in good agreement with the measured profiles of mole fraction. Sensitivity analysis indicates that the primary H atom abstraction from the side iso-propyl chain has significant promoting effect and H-abstraction from the tertiary site of side iso-propyl tends to play an inhibiting effect under fuel-lean and fuel-rich cases. The predominant consumption pathway of IPB proceeds through primary benzylic H atom abstraction to form iso-phenylpropyl radicals for both fuel-lean and fuel-rich cases. However, compared to the fuel-rich ... |
| Databáze: | OpenAIRE |
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