Spectroscopic and Simulation Studies of Structures and Mobilities of Icy Surfaces and Adsorbates

在这个由化学部实验物理化学计划支持的项目中，Devlin将继续研究使用光谱技术表征冰表面和吸附的结构，以便提供它们之间结构和动力学相互作用的详细图像。FTIR测量将用于检查在低温下形成结晶冰和其他分子固体的稳定纳米颗粒组件的能力。该提案的另一个方面涉及对冰的特性进行理论建模，特别是与测量相关的特性。将考察氢键分子如HCN、NH3、环氧乙烷、HCl和硫化氢与表面和亚表面的性质和作用。将对水分子在表面附近的流动性进行研究，并将这些研究扩展到其他分子物质，包括与醇、酸等的二元混合物。该项目在一定程度上需要对在冰面上发生的过程进行基础实验室研究，其中许多过程涉及当前相当感兴趣的自然现象。其中包括臭氧层空洞的形成、酸雨和烟雾等环境紧迫问题。此外，这些实验将有助于阐明天体物理学感兴趣的领域，如星际空间中分子的形成机制和彗尾的组成。

In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Devlin will continue studies on characterizing the structure of ice surfaces and adsorbates using spectroscopic techniques in order to provide a detailed picture of the structural and dynamical interactions between them. FTIR measurements will be used to examine the ability to form stable nanoparticle assemblies of crystalline ice and other molecular solids at cryogenic temperatures. Another aspect of the proposal involves theoretical modeling of the properties of ice, particularly those related to the measurements. The nature and effect of hydrogen-bonding molecules such as HCN, NH3, ethylene oxide, HCl, and H2S with the surface and subsurface will be examined. A study of the mobility of water molecules near the surface and an extension of these studies to other molecular substances, including binary mixtures with alcohols, acids, and the like, will be undertaken. This project entails in part a fundamental laboratory study of processes which take place on ice surfaces, many of which are involved in natural phenomena of considerable current interest. Among these are the environmentally urgent issues of the formation of the ozone hole, acid rain, and smog. In addition, these experiments will help elucidate such areas of astrophysical interest as the mechanism of the formation of molecules in interstellar space and the composition of cometary tails.