Kinetics of Free Radical Reactions of Combustion Importance at Elevated Pressures
高压下燃烧重要性的自由基反应动力学
基本信息
- 批准号:0827398
- 负责人:
- 金额:--
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2008
- 资助国家:美国
- 起止时间:2008-12-01 至 2013-01-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
CBET-0827398KrasnoperovThe research seeks to establish the important high-pressure combustion chemistry need for practically important combustion processes, including internal combustion engines. Combustion efficiency and stability, internal engine knock, emission of environmentally noxious substances are the problems which require detailed chemical kinetics mechanisms with well-characterized elementary reactions over extended temperature and pressure ranges. However, the kinetic data necessary for advancement of combustion models at elevated pressures are still insufficient. Laboratory measurements usually provide rate constants at "convenient" pressures (0.001 - 1 bar). They are necessarily extrapolated to higher pressures based on theoretical foundations, but such predictions may introduce significant additional uncertainties into the model predictions. The specific research objective is a systematic fundamental study on the kinetics and mechanisms of unimolecular and bimolecular reactions of free radicals of combustion importance such as HCO, CH3, OH, and HO2 over extended temperature and elevated pressure ranges. Pulsed laser photolysis combined with high-pressure flow system and transient absorption-spectroscopy techniques will be used in the experimental studies. Buffer gas density affects the rates and branching ratios of dissociation and isomerization reaction, bimolecular reactions that proceed via an intermediate complex, as well as the corresponding reverse reactions. The comparison of the measurements of the pressure fall-off in this reaction with theoretical calculations will lead to the further advancement of the theory of unimolecular dissociation and the RRKM theory with isolated resonances. Overall, the proposed research program will contribute to extending the knowledge and understanding the buffer gas density effects. Broader impacts of the proposed work arise through publications and presentations in the technical and scientific community, by the education and training of students and new scientists, and through advancement of synergetic collaborations between disciplines and institutions, both domestic and international. The research will rely upon training and participation of graduate as well as undergraduate students.
CBET-0827398 Krasnoperov该研究旨在建立重要的高压燃烧化学需要的实际重要的燃烧过程,包括内燃机。燃烧效率和稳定性、发动机内部爆震、环境有害物质的排放是需要详细的化学动力学机制的问题,其具有在扩展的温度和压力范围内的良好表征的基元反应。然而,动力学数据所需的提高燃烧模型在高压仍然是不够的。实验室测量通常提供“方便”压力(0.001 - 1巴)下的速率常数。它们必须根据理论基础外推到更高的压力,但这种预测可能会给模型预测带来显著的额外不确定性。具体的研究目标是对燃烧重要性的自由基,如HCO,CH 3,OH和HO 2在扩展的温度和高压范围内的单分子和双分子反应的动力学和机理进行系统的基础研究。实验研究将采用脉冲激光光解、高压流动系统和瞬态吸收光谱技术。缓冲气体密度影响解离和异构化反应、通过中间络合物进行的双分子反应以及相应的逆反应的速率和分支比。将该反应的压降测量值与理论计算值进行比较,将有助于单分子解离理论和孤立共振RRKM理论的进一步发展。总体而言,拟议的研究计划将有助于扩展知识和理解缓冲气体密度的影响。通过在技术和科学界出版物和介绍,通过对学生和新科学家的教育和培训,以及通过促进国内和国际学科和机构之间的协同合作,拟议工作产生了更广泛的影响。这项研究将依赖于研究生和本科生的培训和参与。
项目成果
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Lev Krasnoperov其他文献
Lev Krasnoperov的其他文献
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Introduction of Laser Photolysis - Transient Spectroscopy Experiments in a Physical Chemistry Lab
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