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

冰表面和吸附物的结构和迁移率的光谱和模拟研究

• 批准号: 9617120
• 负责人: J. Paul Devlin
• 金额: $ 22.49万
• 依托单位: Oklahoma State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-04-01 至 2000-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9617120&HistoricalAwards=false
• 关键词: Spectroscopic; Simulation; Studies; Structures; Mobilities

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.

在这个由实验物理化学计划支持的项目中， 化学部，德夫林将继续研究表征 冰表面和吸附物的结构， 技术，以提供详细的图片的结构和 它们之间的动态相互作用。 FTIR测量将用于 检查形成稳定的结晶纳米颗粒组装体的能力 冰和其他分子固体。 另一方面 该提案的一部分涉及冰的性质的理论建模， 特别是与测量有关的那些。 的性质及影响 氢键分子，如HCN、NH3、环氧乙烷、HCl和H2S 将检查表面和次表面。 的研究 水分子在表面附近的流动性以及这些流动性的延伸 研究其他分子物质，包括二元混合物， 将采用醇、酸等。 该项目部分涉及对过程的基本实验室研究 这些都发生在冰面上，其中许多都涉及到自然界中的 目前相当感兴趣的现象。 这其中包括 臭氧层空洞的形成、酸性物质的产生、 雨和烟雾。 此外，这些实验将有助于阐明这些 天体物理学感兴趣的领域作为形成的机制 星际空间中的分子和彗星尾巴的组成。