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

俄克拉荷马州立大学的J.Paul Devlin教授在他的项目中得到了实验物理化学计划的支持，该项目旨在探索低温和压力下笼状水合物的形成过程。笼状水合物是类似于冰的固体水网络，但包括笼状结构，其中包含被困住的小客体分子，如甲烷、二氧化碳甚至氢气。Devlin教授和他的本科生将使用冰纳米颗粒的傅里叶变换红外(FTIR)光谱来研究在少量特殊客体分子(质子受体分子)存在的情况下笼状水合物的形成速度，这种分子即使在低温(100-150开尔文)和压力(千分之几的大气压)下也可以催化笼状水合物的生长。Devlin团队还将研究笼状水合物结构中客体分子的交换率，例如用二氧化碳取代捕获的甲烷。德夫林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-水合物界面上向(或从)反应区的传输被认为是速率控制。计算机模拟应该揭示这种运输的最基本步骤。这项研究项目将揭示一类有趣的冰状固体材料的重要基础信息。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和严格的经验。这项研究最终可能与未来的碳捕获和封存技术相关。

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.