Experimental study on ethane ignition delay times and evaluation of chemical kinetic models
Experimental study on ethane ignition delay times and evaluation of chemical kinetic models
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乙烷着火延迟时间实验研究及化学动力学模型评价
DOI：
10.1021/acs.energyfuels.5b00462
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发表时间：
2015
期刊：
影响因子：
5.3
通讯作者：
Zuohua Huang
中科院分区：
文献类型：
--
作者：
Erjiang Hu;Yizhen Chen;Zihang Zhang;Xiaotian Li;Yu Cheng;Zuohua Huang
采用高压激波管测量了不同气压（p= 1.2、5.0和20.0 atm）和不同氩气稀释比（φ = 0.5、1.0和2.0）下乙烷的点火延迟时间。给出了所测点火延迟时间的相关关系。将测量结果与几个代表性化学动力学模型的计算结果进行了比较，以评估其性能。结果表明，Aramco Mech 1.3能够较好地再现大范围内的点火延迟时间，而GRI Mech 3.0在化学计量学和高当量比下显著高估了测量值。为了找出计算乙烷点火延迟时间机理差异和相似的原因，进行了灵敏度分析和反应途径分析。结果表明，这两种机制对乙烷的消耗具有相似的途径，而对乙基自由基的分解反应存在显著差异。结果还表明，C2H5+ o2反应通道的不完全性和C2H4+ H (+M) = C2H5（+M）反应速率常数的低估可能是导致GRI Mech 3.0对乙烷着火的高估的原因。所研究的机理在高等效比下给出了类似的预测，因为在速率常数上有显著差异的反应在该条件下没有显示出高的敏感系数。
The ignition delay times of ethane were measured using a high-pressure shock tube at different pressures (p= 1.2, 5.0, and 20.0 atm) and equivalence ratios (ϕ = 0.5, 1.0, and 2.0) with different argon diluent ratios. Correlations of the measured ignition delay times were provided. The measurements were compared to calculations from several representative chemical kinetic models to evaluate their performances. Results showed that Aramco Mech 1.3 could well reproduce the measured ignition delay times over a wide range, while GRI Mech 3.0 significantly overpredicted the measurements at stoichiometric and high equivalence ratio. To find out the reasons for the differences and similarities of the mechanisms on calculating the ignition delay time of ethane, sensitivity analysis and reaction pathway analysis were conducted. It is observed that the mechanisms have similar pathway for ethane consumption, while they have significant differences for ethyl radical decomposition reactions. Results also indicated that the incompleteness of the C2H5+ O2reaction channels and the underestimation of the rate constant of reaction C2H4+ H (+M) = C2H5(+M) might be responsible for the overestimation of GRI Mech 3.0 on ethane ignition. The mechanisms studied give similar prediction at a high equivalence ratio because reactions with a significant difference on rate constants do not show a high sensitivity coefficient at the condition.