Flame propagation of butanol isomers/air mixtures
Flame propagation of butanol isomers/air mixtures
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DOI：
10.1016/j.proci.2010.06.163
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
P. Veloo;F. Egolfopoulos
中科院分区：
文献类型：
--
作者：
P. Veloo;F. Egolfopoulos
对饱和丁醇同分异构体的火焰传播进行了实验和计算研究。实验是在常压逆流结构下进行的，未燃混合物温度为343K，当量比范围较大。实验采用最近建立的丁醇四种异构体的动力学模型进行模拟。结果表明，正丁醇/空气火焰的传播速度略快于仲丁醇/空气和异丁醇/空气火焰，而叔丁醇/空气火焰的传播速度明显慢于其他三种异构体。叔丁醇/空气火焰的反应路径分析表明，异丁烯是主要的中间体，随后反应生成共振稳定的异丁烯自由基阻滞剂，从而使叔丁醇/空气火焰相对于其他三种异构体的整体反应活性更高。通过灵敏度分析，确定了仲丁醇/空气和异丁醇/空气火焰的质量燃烧速率对氢气、一氧化碳和C_1-C_2烃的动力学非常敏感，而对燃料特有的反应不像正丁醇/空气火焰那样敏感。然而，对于叔丁醇/空气火焰，存在对燃料特定反应的显著敏感性。对于正丁醇/空气和仲丁醇/空气火焰，数值模拟结果与实验数据吻合较好，但对异丁醇/空气和叔丁醇/空气火焰的层流火焰速度分别有过高和过低的预测。进一步证明，该模型对叔丁醇/空气火焰层流火焰速度的低估很可能是由于C4-烯烃动力学的缺陷。
An experimental and computational study was conducted on the propagation of flames of saturated butanol isomers. The experiments were performed in the counterflow configuration under atmospheric pressure, unburned mixture temperature of 343K, and for a wide range of equivalence ratios. The experiments were simulated using a recent kinetic model for the four isomers of butanol. Results indicate that n-butanol/air flames propagate somewhat faster than both sec-butanol/air and iso-butanol/air flames, and that tert-butanol/air flames propagate notably slower compared to the other three isomers. Reaction path analysis of tert-butanol/air flames revealed that iso-butene is a major intermediate, which subsequently reacts to form the resonantly stable iso-butenyl radical retarding thus the overall reactivity of tert-butanol/air flames relatively to the other three isomers. Through sensitivity analysis, it was determined that the mass burning rates of sec-butanol/air and iso-butanol/air flames are sensitive largely to hydrogen, carbon monoxide, and C1–C2hydrocarbon kinetics and not to fuel-specific reactions similarly to n-butanol/air flames. However, for tert-butanol/air flames notable sensitivity to fuel-specific reactions exists. While the numerical results predicted closely the experimental data for n-butanol/air and sec-butanol/air flames, they overpredicted and underpredicted the laminar flame speeds for iso-butanol/air and tert-butanol/air flames respectively. It was demonstrated further that the underprediction of the laminar flame speeds of tert-butanol/air flames by the model was most likely due to deficiencies of the C4-alkene kinetics.