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

在国家科学基金会化学部环境化学科学计划的支持下，西弗吉尼亚大学的Fabien Goulay将研究大气气溶胶的氧化。具体的重点是在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成分。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阿巴拉契亚地区的学生，他们在科学领域的代表性历来不足。在含水气溶胶表面的非均相化学将使用流管实验，分子动力学模拟和化学建模相结合的研究。通过改变颗粒的组成，从表面活性的表面非活性分子，模型结果与实验数据的比较将提供有关气溶胶化学氧化的界面反应的影响的信息。此外，通过使用含有不同二羧酸的含水气溶胶，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，为未来科学家的培训做出贡献。该奖项反映了NSF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.