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Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range
Energy & Fuels ( IF 5.3 ) Pub Date : 2021-09-07 , DOI: 10.1021/acs.energyfuels.1c01993
Simon Drost 1 , Dennis Kaczmarek 2 , Sven Eckart 3 , Jürgen Herzler 2 , Robert Schießl 1 , Chris Fritsche 3 , Mustapha Fikri 2 , Burak Atakan 2 , Tina Kasper 2 , Hartmut Krause 3 , Christof Schulz 2 , Ulrich Maas 1
Affiliation  

Rapid compression machine, shock-tube, plug-flow reactor, and heat-flux burner experiments were performed for stoichiometric and fuel-rich ethanol/air mixtures. The experimental ignition delay time conditions included temperatures from 801 to 1313 K at pressures of approximately 10, 20, and 40 bar. Species concentration profiles are measured in a range from 423 to 973 K at a pressure of 6 bar, and laminar burning velocities are measured in a range of 358–388 K at a pressure of 1 bar. The experimental results were simulated using the detailed reaction mechanism AramcoMech 3.0, showing that this mechanism is well suited even for the large range of experimental conditions covered in our work. Furthermore, a reduced mechanism was developed and validated with our experimental data. The sarting point for the reduced mechanism is an already existing reduced reaction mechanism (UCB Chen) for methane, ethane, and propane oxidations. Additional reactions for the ethanol subsystem were taken from AramcoMech 3.0. They were chosen according to their importance in representing the experimental data in simulations with the detailed AramcoMech 3.0, resulting in four additional species and 27 additional reactions. The performance of the reduced mechanism was compared against experimental results from this work, from the literature, and against simulations based on the detailed reaction mechanism. The reduced mechanism shows only minor differences in the results compared to the detailed AramcoMech 3.0. It reproduces very well experimentally with determined ignition delay times of ethanol/argon/nitrogen/oxygen mixtures with inert gas/oxygen ratios between 3.76 and 7.52 (molar), equivalence ratios between 1 and 2 in a temperature range from 848 to 1313 K, and pressures from 10 to 40 bar. Furthermore, it can also predict with a high accuracy laminar burning velocities and species profiles in plug-flow reactors.

中文翻译:

乙醇氧化的实验研究和宽温度范围内还原反应机理的开发

对化学计量和富含燃料的乙醇/空气混合物进行了快速压缩机、冲击管、活塞流反应器和热通量燃烧器实验。实验点火延迟时间条件包括在大约 10、20 和 40 巴的压力下从 801 到 1313 K 的温度。在 6 bar 的压力下,物质浓度分布在 423 到 973 K 的范围内测量,层流燃烧速度在 1 bar 的压力下在 358–388 K 的范围内测量。使用详细的反应机制 AramcoMech 3.0 模拟了实验结果,表明该机制非常适合我们工作中涵盖的大范围实验条件。此外,还开发了一种简化的机制,并使用我们的实验数据进行了验证。还原机制的起点是已经存在的甲烷、乙烷和丙烷氧化的还原反应机制 (UCB Chen)。乙醇子系统的其他反应取自 AramcoMech 3.0。它们是根据它们在详细的 AramcoMech 3.0 模拟中表示实验数据的重要性来选择的,从而产生四个额外的物种和 27 个额外的反应。将简化机制的性能与这项工作的实验结果、文献和基于详细反应机制的模拟进行了比较。与详细的 AramcoMech 3.0 相比,简化后的机制仅显示出微小的结果差异。它通过实验很好地再现了乙醇/氩气/氮气/氧气混合物的点火延迟时间,惰性气体/氧气比介于 3.76 和 7.52(摩尔)之间,当量比介于 1 和 2 之间,温度范围从 848 到 1313 K,以及压力从 10 到 40 bar。此外,它还可以高精度地预测活塞流反应器中的层流燃烧速度和物种分布。
更新日期:2021-09-16
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