生物航空替代燃料的低温氧化研究

Jet fuels are important components of liquid transportation fuels and have been widely used in military and other vehicles with high speed and big power. Due to the complex components, it is very difficult to explore the detailed combustion kinetics of jet fuels. It has been generally accepted to utilize surrogate fuel to emulate the parent fuel so that the size of the combustion model could be dramatically reduced. The mixture of n-decane and 1,3,5-trimethylbenzene or 1,2,4-trimethylbenzene is a significant representative of jet fuels. However, the low-temperature oxidation data, including the active intermediates especially the radicals have been scarcely reported, and quite few models are available. This application is oriented to reveal the low-temperature oxidation kinetics of the surrogate fuels with a newly designed jet-stirred reactor under wide range of equivalence ratios and pressures. The effect of addition of bio-butanol and 2,5-dimethylfuran on the low-temperature oxidation characteristics of surrogate fuels will be revealed. With the combination of gas chromatography, gas chromatography/mass spectrometry and molecular-beam mass spectrometry, the stable oxidation products containing unstable intermediates will be identified and quantified. Based on the quantum chemistry calculation, corresponding kinetic models will be established and optimized to predict the obtained data. The optimized mechanisms will be validated against the literature-reported results measure in flames and shock tubes. The soot formation pathways and temperature-pressure-equivalence ratio relationship will be demonstrated. The obtained results are expected to provide a comprehensive series of data and serve as theoretical guide for the real application of jet surrogate fuels under wide range of experimental conditions.

航空煤油是液体运输燃料的重要组成部分，广泛应用于军用机动设备和各种高速度、大功率的运输工具。由于航空煤油组分复杂，对其燃烧动力学过程的研究非常困难，通常采用替代燃料来减小实际燃料的燃烧模型。正癸烷与均/偏三甲苯的混合物是航空替代燃料的重要代表组分。然而，这类混合物的低温氧化动力学数据，包括活性中间体特别是自由基的信息鲜有报道，相应的模型也非常匮乏。本申请拟采用射流搅拌反应器研究正癸烷+均/偏三甲苯在宽燃烧当量和宽压力范围下的低温氧化动力学，并研究生物丁醇和2,5-二甲基呋喃对其低温氧化特性的影响。通过气相色谱、气质联用仪和分子束质谱对氧化产物包括活性中间体进行结构鉴定和定量分析；结合量子化学计算建立相应的动力学模型，并对其低温氧化进行数值模拟。将优化后的机理对实验结果进行模拟分析，揭示生物航空替代燃料的污染物生成通道与温度-压力-燃烧当量的特性，为这类燃料的航空应用提供实验数据和理论指导。

航空煤油是液体运输燃料的重要组成部分，广泛应用于军用机动设备和各种高速度、大功率的运输工具。由于航空煤油组分复杂，对其燃烧动力学过程的研究非常困难，通常采用替代 燃料来减小实际燃料的燃烧模型。正癸烷与均/偏三甲苯的混合物是航空替代燃料的重要代表组分。然而，这类混合物的低温氧化动力学数据，包括活性中间体特别是自由基的信息鲜有报道，相应的模型也非常匮乏。本项目采用射流搅拌反应器研究正癸烷+均/偏三甲苯在宽燃烧当量和宽压力范围下的低温氧化动力学，并研究生物含氧燃料对其低温氧化特性的影响。通过气相色谱、气质联用仪和分子束质谱对氧化产物包括活性中间体进行结构鉴定和 定量分析；结合量子化学计算建立相应的动力学模型，并对其低温氧化进行数值模拟。将优化后的机理对实验结果进行模拟分析，揭示生物航空替代燃料的污染物生成通道与温度-压力-燃烧当量的特性，为这类燃料的航空应用提供实验数据和理论指导。