Collaborative Research: Quantifying the Reactive Surface Area of Environmental Solids

美国国家科学基金会化学部的环境化学科学项目支持了佩吉·A。来自加州大学默塞德分校的O 'Day，Karl T.来自宾夕法尼亚州立大学和太平洋西北国家实验室的Mueller和James D.他将进行合作研究，调查环境固体的反应表面及其动态性质。竞争性吸附，动力学和老化的二价阳离子吸附到氧化物和粘土矿物表面的水溶液系统将通过开发新的，特定于站点的探针分子（S）使用固态核磁共振（NMR）光谱结合互补的光谱/微观表征和计算化学检查。这项研究将解决基本的，长期存在的问题，活性，分子结合位点在表面的环境solidsand their dynamic natural.Accurate的矿物表面反应性的缩放是广泛适用的，必不可少的一些重要的社会相关性的应用。潜在的更广泛的影响包括，例如，评估与环境污染物有关的风险，如金属、放射性核素和有机污染物的表面和地下迁移或自然衰减;量化过程，如吸附在矿物颗粒上的P、N和Fe的营养物输入湖泊或海洋;估计地下注入中矿物的CO2反应和螯合程度。该研究计划将培养跨学科化学环境科学的研究生和博士后学者，涉及多种和迭代光谱表征方法和定量计算方法。

The Environmental Chemical Sciences Program in the Chemistry Division at the National Science Foundation supports the research of Professors Peggy A. O'Day from the University of California- Merced, Karl T. Mueller from Pennsylvania State University and Pacific Northwest National Laboratory, and James D. Kubicki of Pennsylvania State University who will perform collaborative research that will investigate reactive surfaces of environmental solids and their dynamic nature. Competitive adsorption, kinetics, and aging in aqueous systems of divalent cations sorbed to oxide and clay mineral surfaces will be examined through the development of novel, site-specific probe molecule(s) using solid-state nuclear magnetic resonance (NMR) spectroscopy in conjunction with complementary spectroscopic/microscopic characterizations and computational chemistry. This research will address fundamental, long-standing questions about active, molecular binding sites at surfaces of environmental solids and their dynamic nature.Accurate scaling of mineral surface reactivity is broadly applicable and essential to a number of important applications of societal relevance. Potential broader impacts include, for example, assessing risks associated with environmental contaminants such as surface and subsurface migration or natural attenuation of metal, radionuclide, and organic contaminants; quantifying processes such as nutrient input of P, N, and Fe sorbed on mineral particles into lakes or the oceans; and estimating the extent of CO2 reaction and sequestration by minerals in subsurface injection. This research program will train graduate students and postdoctoral scholars in interdisciplinary chemical environmental sciences involving multiple and iterative spectroscopic characterization methods and quantitative computational approaches.