Exploring the Physical Chemistry of Clathrate Hydrates at Low Pressures and Temperatures (100-150K)

探索低压和低温 (100-150K) 下笼形水合物的物理化学

• 批准号: 0809480
• 负责人: J. Paul Devlin
• 金额: $ 22.2万
• 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: 2008
• 资助国家: 美国
• 起止时间: 2008-07-01 至 2013-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0809480&HistoricalAwards=false
• 关键词: Exploring; Physical; Chemistry; Clathrate; Hydrates

Professor J. Paul Devlin of Oklahoma State University is supported by the Experimental Physical Chemistry Program in his project to explore the process of formation of clathrate hydrates at low temperatures and pressures. Clathrate hydrates are solid water networks that resemble ice, but include cage-like structures containing trapped small guest molecules such as methane, carbon dioxide or even hydrogen. Professor Devlin and his undergraduate research students will use Fourier Transform Infrared (FTIR) spectroscopy of icy nanoparticles to study the formation rates of clathrate hydrates in the presence of small amounts of special guest molecules (proton-acceptor molecules), which can catalyze clathrate hydrate growth even at low temperatures (100 - 150 degrees Kelvin) and pressures (a few thousandths of an atmosphere). The Devlin group will also study the exchange rates of guest molecules within the clathrate hydrate structure, for example the replacement of trapped methane with carbon dioxide. Professor Devlin will work with theoreticians, including Professor Victoria Buch of the Hebrew University in Jerusalem to compare his experimental results with simulations based on ab initio molecular dynamics code. The transport of guest molecules to (or from) reaction zones at ice - hydrate interfaces has been identified as rate controlling. The computer simulations should reveal the most basic steps of this transport. This research project will reveal important fundamental information about an interesting class of ice-like solid materials. The undergraduate students involved will receive a rich and rigorous experience in spectroscopy, kinetics, and physical chemistry in general. The research may ultimately be relevant to future carbon capture and sequestration technologies.

俄克拉荷马州州立大学的J. Paul Devlin教授在实验物理化学项目的支持下，开展了探索低温和低压下笼形水合物形成过程的项目。笼形水合物是类似冰的固体水网络，但包括笼状结构，其中包含捕获的小客体分子，如甲烷，二氧化碳甚至氢气。Devlin教授和他的本科研究生将使用冰纳米粒子的傅里叶变换红外（FTIR）光谱来研究在少量特殊客体分子（质子受体分子）存在下笼形水合物的形成速率，即使在低温（100 - 150开尔文）和压力（千分之几个大气压）下也可以催化笼形水合物的生长。 Devlin小组还将研究笼形水合物结构内客体分子的交换率，例如用二氧化碳替换捕获的甲烷。Devlin教授将与包括耶路撒冷希伯来大学的维多利亚布赫教授在内的理论家合作，将他的实验结果与基于从头算分子动力学代码的模拟进行比较。客体分子在冰-水合物界面处向反应区（或从反应区）的传输已被确定为速率控制。计算机模拟应该揭示这种传输的最基本步骤。该研究项目将揭示有关一类有趣的冰状固体材料的重要基本信息。参与的本科生将在光谱学，动力学和物理化学方面获得丰富而严格的经验。这项研究最终可能与未来的碳捕获和封存技术有关。