Fuel Decomposition and Aromatic Formation Pathways for the Hydrocarbons Contained in Liquid Combustion Fuels

液体燃烧燃料中所含碳氢化合物的燃料分解和芳香形成途径

• 批准号: 0457452
• 负责人: Lisa Pfefferle
• 金额: --
• 依托单位: Yale University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-05-01 至 2008-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0457452&HistoricalAwards=false
• 关键词: Fuel; Decomposition; Aromatic; Formation; Pathways

CTS-0457452 AWARD ABSTRACTFUEL DECOMPOSITION AND AROMATIC FORMATION PATHWAYS FOR THE HYDROCARBONS CONTAINED IN LIQUID COMBUSTION FUELSSoot nanoparticle and aromatic hydrocarbon emissions from combustors are harmful to the global environment and pose public health risks. An understanding of the chemical mechanisms of fuel decomposition and aromatic hydrocarbon formation in flames is important for a rational approach to reduce these emissions. Although such chemistry has been studied extensively for small hydrocarbons, little is known for the larger hydrocarbons that constitute most liquid combustion fuels. This proposal presents a novel approach, based on experimental measurements in flames where a small amount of the species to be studied is added to a well characterized methane flame. This allows the chemistry of these large hydrocarbons to be studied directly. In earlier work we validated this methodology and applied it to C5 to C7 hydrocarbons; the results showed that i) large hydrocarbons can access pathways not available to the well-studied smaller hydrocarbons and ii) these pathways can control soot nanoparticle production. The goal of this proposed research is to elucidate fuel decomposition and aromatic hydrocarbon formation for hydrocarbons present in typical liquid fuels. Our chemical species measurement techniques are rapid and on-line so detailed species maps can be obtained for a wide range of fuel components in a reasonable time. This wide range of data allows us to exploit the differences in the species profiles in developing reaction mechanism tests. Results will be analyzed by extracting decomposition rates from the dopant profiles, examining the correlation between aromatics and their possible precursors, and by computational simulation. Broader Impact: Our work sets the stage for cleaner engine design by expanding the database for the chemical reactivity of large hydrocarbons and by providing rational correlation and extrapolation data for the effect of fuel structure on reactivity. We have provided detailed experimental results from our current studies to numerous groups around the world who have used them to test computational models. The databases generated during the proposed research will be available for direct downloading over the internet. The conclusions from this analysis will facilitate the development of quantitative computer models that can predict nanoparticle formation in practical combustors and of strategies for reducing soot emissions from practical combustors. Undergraduate students have been a key component in our research and will perform course laboratory modules related to this project.

CTS-0457452获奖摘要液体燃烧燃料中所含碳氢化合物的燃料分解和芳烃形成途径燃烧室排放的碳烟纳米颗粒和芳烃对全球环境有害，并构成公共健康风险。 了解火焰中燃料分解和芳烃形成的化学机理对于合理减少这些排放物是很重要的。 虽然这种化学已经被广泛研究了小碳氢化合物，但对构成大多数液体燃烧燃料的较大碳氢化合物知之甚少。 该建议提出了一种新的方法，在火焰中的实验测量的基础上，少量的物种被添加到一个良好的特征甲烷火焰。 这使得这些大型碳氢化合物的化学性质可以直接研究。 在早期的工作中，我们验证了这种方法，并将其应用于C5至C7烃;结果表明，i）大烃可以进入研究良好的较小烃无法获得的途径，ii）这些途径可以控制烟灰纳米颗粒的产生。 本研究的目的是阐明典型液体燃料中存在的碳氢化合物的燃料分解和芳烃形成。 我们的化学物质测量技术是快速和在线的，因此可以在合理的时间内获得各种燃料成分的详细物质分布图。 这一广泛的数据使我们能够利用物种分布的差异，在开发反应机制测试。 将通过从掺杂剂分布中提取分解率，检查芳烃及其可能的前体之间的相关性以及通过计算机模拟来分析结果。 更广泛的影响：我们的工作为更清洁的发动机设计奠定了基础，扩大了大型碳氢化合物的化学反应性数据库，并为燃料结构对反应性的影响提供了合理的相关性和外推数据。我们已经向世界各地的许多团体提供了我们目前研究的详细实验结果，这些团体已经使用它们来测试计算模型。 在拟议的研究过程中产生的数据库将可在互联网上直接下载。 从这个分析的结论将促进定量的计算机模型，可以预测实际燃烧室中的纳米粒子的形成和减少实际燃烧室的碳烟排放的策略的发展。 本科生一直是我们研究的关键组成部分，并将执行与此项目相关的课程实验室模块。