Influence of functional groups on the oxidation of aromatic structures

官能团对芳香结构氧化的影响

• 批准号: 290644284
• 负责人: Professor Dr.-Ing. Alexander Heufer
• 金额: --
• 依托单位: Lehrgebiet und Abteilung für Hochtemperatur-Gasdynamik, Stoßwellenlabor (SWL)
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2023-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/290644284?language=en
• 关键词: Influence; functional; groups; oxidation; aromatic

In regards of a permanent increase in the global energy demand, a major challenge of the century is the reduction in fossil fuel combustion. Improving combustion systems and replacing conventional fuels by sustainable energy carriers can help in achieving this goal. In this context bio-based octane improvers, i.e. oxygenated aromatics, can play an important role. These compounds can be produced from uneatable lignin and their physico-chemical properties make them ideal fuel blending components with improved anti-knock behavior. In the first phase of the project, the ignition delay times (IDTs) of the most common oxy-aromatics were performed. The combustion behavior of anisole was investigated through an extended experimental and kinetic modeling study. The octane booster properties of series of oxy-aromatic species were examined by the measurement of the ignition delay time of oxy-aromatic/n-pentane blends. These studies revealed the importance of the phenoxy radical and benzaldehyde in the combustion process of the majority of oxy-aromatics. However, detailed studies on these components are scarce and will be consequently in the focus of the second phase of the project. High-pressure gas sampling of reacting phenol and benzaldehyde mixtures during the ignition delay will be performed, giving mole fraction profiles of the stable intermediates of combustion. The speciation experiments coupled with ignition delay times will guide the kinetic modeling and be used as validation targets. In the end, the model will be used to get a deeper insight into the combustion behavior of the crucial intermediates phenoxy radical and benzaldehyde which will impact the understanding of the oxidation scheme of aromatic structures in general. In addition, the positioning effect of different substituents on the aromatic ring on the reactivity will be examined experimentally.

关于全球能源需求的永久增长，本世纪的重大挑战是化石燃料燃烧的减少。改善燃烧系统并用可持续能源载体代替常规燃料可以帮助实现这一目标。在这种情况下，基于生物的辛烷修理剂，即含氧芳香剂，可以发挥重要作用。这些化合物可以由不可食木蛋白产生，它们的物理化学特性使它们成为具有改善抗旋转行为的理想燃料混合成分。在项目的第一阶段，进行了最常见的氧芳香族剂的点火延迟时间（IDT）。通过扩展的实验和动力学建模研究研究了苯甲苯的燃烧行为。通过测量氧芳香族/N-戊烷混合物的点火延迟时间，检查了一系列氧芳香族物种的辛烷值增强性能。这些研究揭示了苯氧基自由基和苯甲醛在大多数氧芳香族剂的燃烧过程中的重要性。但是，对这些组件的详细研究很少，因此将是项目第二阶段的重点。将在点火延迟期间对反应苯酚和苯甲醛混合物的高压气体采样，从而提供稳定的燃烧中间体的摩尔分数分布。结合点火延迟时间的物种实验将指导动力学建模并用作验证目标。最后，该模型将用于更深入地了解至关重要的中间体苯氧基和苯甲醛的燃​​烧行为，这将影响对芳族结构的氧化方案的理解。另外，将通过实验检查不同取代基对芳环对反应性的定位效果。