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Influence of the double bond position in combustion chemistry of methyl butene isomers: A shock tube and laser absorption study
International Journal of Chemical Kinetics ( IF 1.5 ) Pub Date : 2020-06-24 , DOI: 10.1002/kin.21396
Farhan Arafin 1 , Andrew Laich 1 , Erik Ninnemann 1 , Robert Greene 1 , Ramees K. Rahman 1 , Subith S. Vasu 1
Affiliation  

Shock tube experiments have been carried out on 2‐methyl‐1‐butene (2M1B), 2‐methyl‐2‐butene (2M2B), and 3‐methyl‐1‐butene (3M1B)—the three isomers of methyl butene compound. Carbon monoxide (CO) time‐histories and ignition delay times are obtained behind reflected shockwaves over the temperature range of 1350‐1630 K and pressures of 8.3‐10.5 atm with stoichiometric mixtures of 0.075% fuel in O2/Ar. Comparative ignition study reveals that 3M1B ignites significantly faster than the other two isomers, while 2M1B dissociates earlier but ignites later than 2M2B. Possible mechanisms for this behavior are discussed with ignition delay time sensitivity and reaction path analysis. In addition, time‐resolved CO measurements are compared with three different reaction mechanisms from the literature. Sensitivity analyses have been carried out to identify important reactions that need attention to accurately predict the chemistry of these isomers. Further investigation into the rates of unimolecular fuel decomposition reactions and C3H3 + O2 = CH2CO + HCO reaction are suggested based on the current investigation.

中文翻译:

双键位置对甲基丁烯异构体燃烧化学的影响:激波管和激光吸收研究

在甲基丁烯化合物的三个异构体2-甲基-1-丁烯(2M1B),2-甲基-2-丁烯(2M2B)和3-甲基-1-丁烯(3M1B)上进行了激波管实验。一氧化碳(CO)的时间历史和点火延迟时间是在1350-1630 K的温度范围内,压力为8.3-10.5 atm的反射冲击波和O 2中含0.075%燃料的化学计量混合物后获得的/ Ar。比较点火研究表明,3M1B的点火明显快于其他两个异构体,而2M1B的离解更早,但比2M2B的点燃晚。通过点火延迟时间敏感性和反应路径分析讨论了这种行为的可能机制。此外,将时间分辨的CO测量值与文献中的三种不同反应机理进行了比较。进行了敏感性分析,以识别需要注意的重要反应,以准确预测这些异构体的化学性质。根据目前的研究,建议进一步研究单分子燃料分解反应的速率以及C 3 H 3 + O 2  = CH 2 CO + HCO反应。
更新日期:2020-06-24
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