Nonlinear Optical and Simulation Studies of Perturbed Liquids

在这个奖项，由化学系的化学结构，动力学和机制（CSDM-A）计划资助，马里兰州大学帕克分校的John Fourkas教授和他的研究生研究人员正在进行实验和计算研究，以探索纳米限制和负压下分子液体的动力学。 尽管在重要的化学过程中液体作为溶剂的重要性，但在目前的工作中，关于液体在受限和其他不寻常环境中的行为仍有很多未知之处。 从事该项目的研究生在实验物理化学方面接受了良好的培训。 该项目得益于与CNRS（法国）和麻省理工学院的计算化学家Benoit Coasne博士的合作。Fourkas教授及其研究小组正在进行一系列关于分子液体在纳米受限环境和张力下行为的实验和建模研究。 实验包括：（1）光学克尔效应（OKE）光谱学和（2）振动和频产生（VSFG）光谱学。 Fourkas小组的研究人员将使用这些方法通过降低的光谱密度来探测局部液体密度。液体将被限制在纳米多孔二氧化硅和拉伸液体将在贝特洛管制备。 待研究的液体包括苯、吡啶、乙腈和2-丁烯。 像这里研究的环境中的液体是无处不在的，但仍然知之甚少，像这项研究中支持的工作将有助于阐明控制液体行为的分子行为。 从事该项目的学生接受化学物理方面的优秀培训，使他们成为全球技术劳动力的成员。

In this award, funded by the Chemical Structure, Dynamics and Mechanisms (CSDM-A) Program of the Division of Chemistry, Professor John Fourkas of the University of Maryland College Park and his graduate student researchers are doing experimental and computational studies to probe the dynamics of molecular liquids in nano-confinement and under negative pressure. Despite the importance of liquids as solvents in important chemical processes, there is a great deal that is still unknown about liquid behavior in confined and other unusual environments being studied in the present work. Graduate students working on this project receive excellent training in experimental physical chemistry. This project benefits from the collaboration with Dr. Benoit Coasne, a computational chemist at CNRS (France) and MIT.Prof. Fourkas and his research group are conducting a series of experimental and modeling studies of the behavior of molecular liquids in nano-confined environments and under tension. The experiments to be carried out include: (1) optical Kerr effect (OKE) spectroscopy and (2) vibrational sum-frequency generation (VSFG) spectroscopy. The Fourkas group researchers will use these methods to probe the local liquid density via the reduced spectral density. Liquids will be confined in nanoporous silica and stretched liquids will be prepared in Berthelot tubes. Liquids to be studied include benzene, pyridine, acetonitrile and 2-butene. Liquids in environments like those studied here are ubiquitous, but remain poorly understood, and work like that supported in this study will help to shed light on the molecular behavior that governs the liquid behavior. Students working on this project receive excellent training in chemical physics that prepares them to become globally-engaged members of the technical workforce.