运输替代燃料代表性组分的低温氧化反应动力学研究

The investigation on low temperature oxidation kinetics of components in transport fuel surrogates is a frontier and key field in combustion research nowadays. It is also a significant need in the development of advanced engine techniques and an important constituent of the first scientific target of this Major Research Plan, i.e. “combustion reaction kinetics for a wide range of conditions”. It is recognized that this research field is limited in the detection of active intermediates, theoretical research of key elementary reactions, and development of kinetic models with high predictability. In this work, a series of representative components in transport fuel surrogates will be investigated at low temperature oxidation conditions. To solve the problems in detecting key intermediates in the low temperature oxidation of these C7 and larger hydrocarbon fuels, development of synchrotron vacuum ultraviolet photoionization mass spectrometry and quantum cascade laser absorption spectroscopy will be performed to pursue high detection sensitivity. Efforts will be made for developing theoretical methods applicable to low temperature oxidation reaction systems of large molecules. Key reactions will then be theoretically calculated to reveal their kinetic mechanism. Low temperature kinetic models of the investigated fuels will be developed. A comprehensive validation of these models will be performed on the new experimental data in this work and previous low temperature oxidation data in literature. The results of this work can improve the knowledge of low temperature oxidation characteristics of components in transport fuel surrogates and reveal the mechanisms that the functional groups of fuels influence the low temperature oxidation characteristics. The model will be reduced for engineering application and provide theoretical insight into the development of advanced engine techniques and solution of engine research problems.

运输替代燃料组分的低温氧化研究是当前国际燃烧研究前沿和重点问题，也是先进发动机技术的重大需求和本重大研究计划科学目标一“宽范围燃烧反应动力学”的重要组成部分。针对当前国际上在活泼中间产物探测、关键基元反应理论研究和高预测性模型发展方面的不足，本项目拟选取一系列代表性组分，发展高灵敏性同步辐射真空紫外光电离质谱方法和量子级联激光吸收光谱方法，解决这些C7以上大分子碳氢燃料低温氧化关键中间产物的诊断难题；探索适用于大分子低温氧化反应体系的动力学理论方法，对关键反应开展理论计算，揭示低温氧化反应微观机制；发展出这些燃料的低温氧化反应动力学模型，并综合利用实验研究成果和文献低温氧化实验数据对模型进行全面验证。研究成果可增进对运输替代燃料组分低温氧化特性的认识、揭示燃料官能团结构影响低温氧化特性的动力学机制；模型简化后可应用于工程研究，为先进发动机技术的发展和发动机研究难点问题的解决提供理论支持。

运输替代燃料组分的低温氧化研究是当前国际燃烧研究前沿和重点问题，也是先进发动机技术的重大需求和本重大研究计划科学目标一“宽范围燃烧反应动力学”的重要组成部分。针对当前国际上在活泼中间产物探测、关键基元反应理论研究和高预测性模型发展方面的不足，本项目拟选取一系列代表性组分，发展高灵敏性同步辐射真空紫外光电离质谱方法和量子级联激光吸收光谱方法，解决这些C7以上大分子碳氢燃料低温氧化关键中间产物的诊断难题；探索适用于大分子低温氧化反应体系的动力学理论方法，对关键反应开展理论计算，揭示低温氧化反应微观机制；发展出这些燃料的低温氧化反应动力学模型，并综合利用实验研究成果和文献低温氧化实验数据对模型进行全面验证。研究成果可增进对运输替代燃料组分低温氧化特性的认识、揭示燃料官能团结构影响低温氧化特性的动力学机制；模型简化后可应用于工程研究，为先进发动机技术的发展和发动机研究难点问题的解决提供理论支持。