CRC: Gas Hydrates: from fundamental theory to hydrogen transport

该奖项支持Kenneth C.放大图片作者：William S. Reeburgh（University of California-Irvine），Kenneth D. Jordan（University of Pittsburgh），Stefan G. Llewellyn Smith（加州大学圣地亚哥分校）和Subramanian Iyer（Energetics，Inc.）理解水合物包合物。水合物包合物是一类独特的物质，其中水分子形成具有开放空腔的晶格，可以在没有化学键的情况下笼住客体气体分子，如氢气、甲烷或二氧化碳。这个科学家和工程师小组将1）推进天然气水合物系统的理论描述; 2）测试理论与真实的系统的实验; 3）使用原子水平研究的结果来改进宏观模型，以模拟天然气水合物在自然界复杂环境中长时间尺度的行为; 4）测试宏观模型与海洋数据; 5）预测各种全球变暖情景下全球甲烷收支的变化; 6）研究水合物包合物运输和储存二氧化碳和氢气的效用。天然气水合物会对全球环境和能源产生影响。大量的甲烷以水合物的形式储存在海洋深处。这个甲烷储层是一种潜在的新能源，但也是全球变暖的潜在危险来源。虽然水合物包合物为氢气和一氧化碳气体提供了一个良性的能量库，但它们也会导致高压甲烷管道堵塞。该项目通过化学合作研究计划（CRC）资助，并为本科生，研究生和博士后研究人员提供出色的机会，以获得非常广泛的研究领域的知识和技能，包括实验和理论物理化学，海洋化学以及机械和环境工程。这些主题也将在一个特别的暑期研究所向高中教师介绍。

This award supports the collaborative efforts of Kenneth C. Janda, V. Ara Apkarian, William S. Reeburgh (University of California-Irvine), Kenneth D. Jordan (University of Pittsburgh), Stefan G. Llewellyn Smith (University of California-San Diego) and Subramanian Iyer (Energetics, Inc.) to understand hydrate-clathrates. Hydrate-clathrates are a unique class of substance in which water molecules form a crystal lattice with open cavities that can cage guest gas molecules, such as hydrogen, methane or carbon dioxide, without chemical bonding. This team of scientists and engineers will 1) advance the theoretical description of gas-hydrate systems; 2) test theory against experiments on real systems 3) use the results from atomistic level studies to refine macroscopic models for simulating the behavior of gas hydrates over long time scales in complex environments found in nature; 4) test the macroscopic model against marine data; 5) predict changes to the global methane budget under various global warming scenarios; 6) investigate the utility of hydrate-clathrates to transport and store carbon dioxide and hydrogen. Gas-hydrates can impact both the global environment and energy resources. Large quantities of methane are stored as hydrates deep in the ocean. This reservoir of methane is a potential new source of energy, but also a potentially dangerous source of global warming. While hydrate-clathrates offer a benign energy storehouse for hydrogen and carbon monoxide gases, they are also can cause obstructions in high-pressure methane pipelines. This project is funded through the Collaborative Research in Chemistry Program (CRC) and provides outstanding opportunities for undergraduates, graduate students, and postdoctoral researchers to acquire knowledge and skills in very broad areas of research, including experimental and theoretical physical chemistry, marine chemistry, and mechanical and environmental engineering. These topics will also be presented to high school teachers in a special summer institute.