Autoxidation in the Environment

环境中的自氧化

• 批准号: 1508526
• 负责人: Paul Wennberg
• 金额: $ 46.5万
• 依托单位: California Institute of Technology
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2015
• 资助国家: 美国
• 起止时间: 2015-09-15 至 2019-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1508526&HistoricalAwards=false
• 关键词: Autoxidation; Environment

With this award, the Environmental Chemical Sciences Program of the Division of Chemistry is funding Professors Paul Wennberg and Brian Stoltz of the California Institute of Technology to investigate the role of autooxidation in environmental processes. Autoxidation of organic compounds is known to be important in combustion, food and wine spoilage, degradation of olefinic liquids, and very broadly in biological systems. The role of autoxidation in the environmental degradation of organic compounds is being explored. A collaborative team of scientists is studying the kinetics and mechanism for autooxidation of a series of model compounds. The goal is to create a model of autoxidation for use in evaluating the rate by which autoxidation converts reduced carbon compounds in the environment to highly oxygenated substances. More broadly, the kinetics of autoxidation described through this study address many gas and condensed phase applications that span science from improved food preservation to reduced aerosol production in open-air combustion. The role of autoxidation in the environmental degradation of organic compounds remains largely unexplored. Via a collaboration of a team of scientists, including computational, organic, and analytical chemists, the rate of this oxidative chemistry for a diverse set of organic substrates is investigated. Model compounds that characterize many of the reduced organic substrates found in the environment are synthesized to explore the physical chemistry of autoxidation. Using density functional calculations and laboratory observations, a model of autoxidation for use in evaluating the rate by which autoxidation converts reduced carbon compounds in the environment to highly oxygenated constituents is being created. Initial applications include study of the formation and aging of organic aerosols, and the atmospheric oxidation of alkenes by the nitrate radical during the night. Broader impacts of these studies could be far-reaching should it be found that this oxidative chemistry impacts the burden of ozone and aerosol quite generally.

有了这个奖项，化学系的环境化学科学计划正在资助加州理工学院的Paul Wennberg和Brian Stoltz教授研究自动氧化在环境过程中的作用。已知有机化合物的自氧化在燃烧、食品和葡萄酒腐败、烯烃液体的降解以及非常广泛地在生物系统中是重要的。目前正在探讨自氧化在有机化合物环境降解中的作用。一个科学家合作小组正在研究一系列模型化合物自动氧化的动力学和机制。目的是建立一个自动氧化模型，用于评估自动氧化将环境中的还原碳化合物转化为高度含氧物质的速率。 更广泛地说，通过本研究描述的自氧化动力学解决了许多气体和凝聚相应用，这些应用跨越了从改善食品保存到减少露天燃烧中气溶胶产生的科学。 自氧化作用在有机化合物环境降解中的作用在很大程度上仍未被探索。通过一个科学家团队的合作，包括计算，有机和分析化学家，研究了不同有机底物的氧化化学速率。模型化合物的特点，在环境中发现的许多减少有机底物的合成，探索自氧化的物理化学。使用密度泛函计算和实验室观察，用于评估的自动氧化的速率，自动氧化转换还原碳化合物在环境中的高含氧成分的模型正在创建。最初的应用包括研究有机气溶胶的形成和老化，以及夜间硝酸根对烯烃的大气氧化。这些研究的更广泛影响可能是深远的，如果发现这种氧化化学影响臭氧和气溶胶的负担相当普遍。