An updated experimental and kinetic modeling study of n-heptane oxidation
An updated experimental and kinetic modeling study of n-heptane oxidation
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DOI：
10.1016/j.combustflame.2016.06.028
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发表时间：
2016-10
影响因子：
4.4
通讯作者：
Kuiwen Zhang;C. Banyon;J. Bugler;H. Curran;Anne Rodriguez;O. Herbinet;F. Battin‐Leclerc;Christine B'Ch
中科院分区：
文献类型：
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作者：
Kuiwen Zhang;C. Banyon;J. Bugler;H. Curran;Anne Rodriguez;O. Herbinet;F. Battin‐Leclerc;Christine B'Ch
本文介绍了正庚烷氧化反应的实验和动力学模型研究。在实验中，化学计量的正庚烷/空气混合物的点火延迟时间已被测量在两个不同的高压激波管中的温度范围为726-1412 K和在升高的压力（15，20和38巴）。同时，在喷射搅拌反应器中，在常压、温度范围500-1100 K、φ= 0.25、2.0和4.0下测量了物种的浓度-时间曲线。这些实验结果与文献中的结果在相似的条件下是一致的，并扩展了目前描述正庚烷氧化的数据库。基于我们的实验观察和以前的建模工作，详细的动力学模型已经发展到描述正庚烷氧化。该动力学模型采用的反应速率规则与最近开发的戊烷异构体和正己烷的反应速率规则一致。该模型已被验证对数据集从目前的工作和文献中使用的点火延迟时间，在射流搅拌反应器和层流火焰速度在很宽的范围内的条件下测量的形态分布。模型预测和实验数据之间观察到良好的一致性。该模型还与最近发表的几个动力学模型的正庚烷进行了比较，并显示出整体性能更好。正庚烷是一种广泛使用的主要参考燃料，该模型可为其它燃料动力学机理的研究提供参考。由于正戊烷、正己烷和正庚烷的各子机理采用了一致的反应速率规则，因此该模型更有可能准确地模拟这些燃料混合物的氧化反应。此外，这些速率规则的成功实施表明，它们的应用的可能性，为更大的烃类燃料的机制，这是具有重要意义的实际燃烧装置的发展。
This work presents an updated experimental and kinetic modeling study ofn-heptane oxidation. In the experiments, ignition delay times of stoichiometricn-heptane/air mixtures have been measured in two different high-pressure shock tubes in the temperature range of 726–1412 K and at elevated pressures (15, 20 and 38 bar). Meanwhile, concentration versus time profiles of species have been measured in a jet-stirred reactor at atmospheric pressure, in the temperature range of 500–1100 K atφ= 0.25, 2.0 and 4.0. These experimental results are consistent with those from the literature at similar conditions and extend the current data base describingn-heptane oxidation.Based on our experimental observations and previous modeling work, a detailed kinetic model has been developed to describen-heptane oxidation. This kinetic model has adopted reaction rate rules consistent with those recently developed for the pentane isomers and forn-hexane. The model has been validated against data sets from both the current work and the literature using ignition delay times, speciation profiles measured in a jet-stirred reactor and laminar flame speeds over a wide range of conditions. Good agreement is observed between the model predictions and the experimental data. The model has also been compared with several recently published kinetic models ofn-heptane and shows an overall better performance. This model may contribute to the development of kinetic mechanisms of other fuels, asn-heptane is a widely used primary reference fuel. Since the sub-mechanisms ofn-pentane,n-hexane andn-heptane have adopted consistent reaction rate rules, the model is more likely to accurately simulate the oxidation of mixtures of these fuels. In addition, the successful implementation of these rate rules have indicated the possibility of their application for the development of mechanisms for larger hydrocarbon fuels, which are of great significance for practical combustion devices.