Understanding Ionic and Molecular Structure and Bonding at the Surface of Aqueous Solutions with a Coupled Experimental and Theoretical Approach

这些研究的智力目标是促进我们对水表面的化学和物理的理解。 这些研究将涉及实验和理论的综合耦合。 一组研究集中于推导出水溶液和疏水性液体（油）之间界面处的离子和分子的结构和键合的基本图像。所研究的主题是了解疏水表面附近的水行为，以及与地下水污染，石油修复和有机污染物提取有关的环境问题的核心。 第二组研究旨在了解存在于离子和酸的溶液的蒸气/水边界处的分子相互作用，并了解水相组合物如何影响一些对环境重要的气体和有机物种的吸附。 第二组研究探讨了大气气溶胶、海洋和淡水表面发生的更复杂化学反应的基础问题。对该项目的成功同样重要的是对学生和博士后助理进行尖端研究方法的培训，并提高他们的沟通技能，使他们能够有效地向更广泛的科学界和公众传播他们的研究成果。很难想象还有什么表面比水面对我们的生存更重要。这些表面覆盖了地球三分之二以上的面积，提供了一个独特的边界层，促进了基本的化学和生物过程，并在控制我们的气候方面发挥着重要作用。在我们的身体中，水是“生命的运河”，运输和传递营养物质，离子和其他重要分子穿过其边界进入更疏水的膜和组织。然而，即使对水表面的迷恋有几个世纪之久，对它们的了解与未知的东西相比还是相形见绌。 在即将进行的研究中，重点是分子胶，使水表面在当今许多重要的生物，环境和技术问题中发挥特殊作用。拟议的项目采用尖端的激光方法和高水平的计算机计算，这将使我们对水面的了解取得重大进展，同时培训下一代科学家掌握最先进的科学技术。

The intellectual objective of these studies is to advance our understanding of the chemistry and physics of aqueous surfaces. An integrated coupling of experiment and theory will be involved in these investigations. One set of studies focus on deriving a fundamental picture of the structure and bonding of ions and molecules at the interface between an aqueous solution and a hydrophobic liquid (oil). The topics examined lie at the heart of understanding water behavior near hydrophobic surfaces, and environmental issues pertaining to ground water contamination, oil remediation, and the extraction of organic contaminants. The second set of studies seek to understand the molecular interactions present at the vapor/water boundary of solutions of ions and acids, and to understand how the aqueous phase composition affects the adsorption of a number of environmentally important gases and organic species. These second set of studies examine basic issues that underlie the more complex chemistry that occurs on atmospheric aerosols, and marine and fresh water surfaces. Equally important to the success of this project is the training of students and postdoctoral associates in cutting-edge research methods and advancing their communication skills to enable them to effectively disseminate their research results to the broader scientific community as well as to the general public.%%% It is hard to imagine any surface more important to our survival than a water surface. Covering more than two thirds of this planet, these surfaces provide a unique boundary layer for facilitating essential chemical and biological processes as well as playing an essential role in controlling our climate. In our bodies, water is the 'canal of life', transporting and passing nutrients, ions and other essential molecules across its boundaries into more hydrophobic membranes and tissues. Yet even with centuries of fascination with aqueous surfaces, what is known about them is dwarfed by what is unknown. In the studies to be conducted, the focus is on the molecular glue that gives water surfaces their special role in many important biological, environmental and technological problems of today. The proposed projects employ cutting-edge laser methods and high level computer calculations that will allow significant advances in our knowledge of water surfaces while training the next generation of scientists in state-of-the-art scientific techniques.