Effect of Surface-Bulk Partitioning on the Oxidation of Aqueous Dicarboxylic Acid Aerosols

在美国国家科学基金会化学部环境化学科学项目的支持下，西弗吉尼亚大学的Fabien Goulay将研究大气气溶胶的氧化。具体的重点是粒子表面的有机分子与自由基的反应。该项目将研究气相和颗粒相之间的化学反应如何改变颗粒组成。它还将为本科生和研究生提供培训机会，包括第一代大学生和来自阿巴拉契亚地区的学生，他们传统上在科学领域的代表性不足。本文将采用流动管实验、分子动力学模拟和化学建模相结合的方法研究含水气溶胶表面的非均相化学。通过将颗粒的组成从表面活性分子变为表面非活性分子，将模型结果与实验数据进行比较，将提供有关界面反应对气溶胶化学氧化影响的信息。此外，通过使用含有不同二羧酸的水性气溶胶，Goulay博士的团队旨在了解溶质分子结构如何影响大气气溶胶的氧化。这项工作还将通过提供跨学科培训和获得最先进的实验资源，为培养未来的科学家做出贡献。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。

With support from the Environmental Chemical Sciences Program in the Chemistry Division at the National Science Foundation, Fabien Goulay at the University of West Virginia will study the oxidation of atmospheric aerosols. The specific focus is on the reaction of organic molecules at the surface of particles with free radicals. The project will investigate how the chemistry between the gas and particle phase can change particle composition. It will also provide training opportunities for undergraduate and graduate students, including first generation college students and students from the Appalachian region, who have been traditionally underrepresented in the sciences. Heterogeneous chemistry at the surface of aqueous aerosols will be investigated using a combination of flow tube experiments, molecular dynamic simulations, and chemical modeling. By changing the composition of the particle from surface-active to surface-inactive molecules, the comparison of the model outcomes with experimental data will provide information about the effect of interfacial reactions on aerosol chemical oxidation. In addition, by using aqueous aerosols containing different dicarboxylic acids, Dr. Goulay’s group aims to understand how the solute molecular structure affects the oxidation of atmospheric aerosols. This work will also contribute to the training of future scientists by providing cross-disciplinary training and access to state–of–the–art experimental resources.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.