Effect of Molecular Structure on the Atmospheric Oxidation of Organic Compounds and Aerosol Formation

该项目的总体目标是进行实验和建模研究，以更好地理解和定量描述有机化合物的分子结构对其大气氧化产物的影响，以及这些产物形成气溶胶的趋势。大气中的气体和颗粒化合物会影响空气质量、能见度、气候以及人类和生态系统的健康。该项目将提供有机氧化产物和机理的新数据，这应该适用于许多其他大气反应，因为基本反应途径的相似性。实验将在模拟大气条件下的大体积惰性聚四氟乙烯环境室中进行。存在于气相和颗粒相中的化学反应产物将使用实时和离线方法进行识别和定量，这些方法采用各种适当的分析技术组合，如色谱法、光谱学和质谱法。具体的实验旨在量化线性和支链分子结构和含氧官能团对化学反应途径的影响。结果将被纳入一个详细的化学反应模型，通过将模拟结果与在污染和清洁空气条件下由一组具有大气代表性的烷烃、烯烃和含氧化合物氧化形成的气相和颗粒相产物进行比较，对该模型进行评估和进一步改进。为研究生提供支持以及旨在促进公众对空气质量和气候问题的科学理解的活动被称为项目活动。该项目将改进和评估的模式用于实验室、区域和全球模拟，这些模拟被广泛用于评估气体和颗粒对能见度、人类健康、生态系统和气候的潜在影响。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

The overall objective of the project is to conduct experimental and modeling studies to achieve an improved understanding and quantitative description of the effects of the molecular structure of organic compounds on their atmospheric oxidation products and their tendency for the products to form aerosols. Atmospheric gaseous and particulate compounds can affect air quality, visibility, climate, and human and ecosystem health. This project will provide new data on organic oxidation products and mechanisms, which should be applicable to many other atmospheric reactions because of the similarities in basic reaction pathways.Experiments will be conducted in large volume, inert Teflon environmental chambers under simulated atmospheric conditions. Chemical reaction products present in the gas and particle phases will be identified and quantified using real-time and offline methods that employ various combinations of appropriate analytical techniques such as chromatography, spectroscopy, and mass spectrometry. Specific experiments are designed to quantify the effects of linear and branched molecular structures and oxygenated functional groups on chemical reaction pathways. Results will be incorporated into a detailed chemical reaction model, which will be evaluated and further improved by comparing simulations with measured gas- and particle-phase products formed from the oxidation of a set of atmospherically representative alkanes, alkenes, and oxygenated compounds, under both polluted and clean air conditions.The provision of support of a graduate student along with activities intended to contribute to public understanding of science of air quality and climate issues are mentioned project activities. The models that will be improved and evaluated as a result of this project are used in laboratory, regional, and global simulations, which are widely used to evaluate potential effects of gases and particles on visibility, human health, ecosystems, and climate.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.