权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Collaborative Research: Ionic Liquids at Interfaces: from Bulk Structure to Tunable Films

合作研究：界面离子液体：从块体结构到可调谐薄膜

基本信息

批准号：
1664832
负责人：
Claudio Margulis
金额：
$ 35.3万
依托单位：
University of Iowa
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-08-01 至 2021-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1664832&HistoricalAwards=false
关键词：
Collaborative Research Ionic Liquids Interfaces

项目摘要

The Chemical Structure, Dynamics and Mechanisms Program of the NSF Chemistry Division (CSDM-A) supports a Collaborative Research effort by Professors Claudio J. Margulis at the University of Iowa (P.I.) and Edward W. Castner, Jr. (co-P.I.) at Rutgers, The State University of New Jersey, with synthetic collaborations including Professor Sharon Lall-Ramnarine at Queensborough Community College. The focus of this research is to develop a more complete understanding of the molecular level structure of a special class of liquids called ionic liquids. Ionic liquids are gaining interest for their potential applications in various technologies for example, batteries and gas separation systems. Professors Margulis and Castner are studying how the molecular structure of ionic liquids affects such properties as their "thickness" (viscosity) and electrical conductivity. Ionic liquids are an interesting class of compounds that, like salts are composed of positively charged atoms or molecules (cations) and negatively charged atoms or molecules (anions). Ionic liquids are salts that are molten at or near room temperature. The research involves both experimental techniques (e.g., x-ray spectroscopy and synthesis) and computer modeling. The research project is expected to increase our understanding of ionic liquid properties, so that they can be better applied to a variety of problems in modern energy storage technologies, as well as other novel applications. The students involved in this research project are gaining experience in a highly interdisciplinary environment that challenges graduate students in non-traditional ways. For example, students in the Margulis group whose interests and expertise are primarily in theory and computation spend time in the Castner laboratory, where they gain experience in actual experiments. At the same time, the experimentalist graduate researchers from the Castner group are doing simulation work under Prof. Margulis' guidance. Finally, the Queensborough Community College collaboration is providing research experiences for selected undergraduate students from a minority-serving Associates-level institution. Liquids can exhibit structural order at various length scales, from simple pair-wise interactions between two molecules to hydrogen-bonded networks that may extend over several nanometers. Ionic liquids have been shown to have an intermediate range of structural order arising from the combination of the strong interactions between the positively charged cations and the negatively charged anions, with hydrophobic groups on these molecular ions. Some of the Margulis and Castner groups' recent work has shown that ionic liquids can be designed such that this intermediate range order is disrupted. Such structural disruptions are correlated to lower viscosities, which provide opportunities for the development of superior electrolytes for both enhanced battery and electrical double-layer technologies. In this project, the Margulis and Castner teams are seeking to understand whether ionic liquids with certain combinations of ions will further disrupt intermediate range order. Computational molecular dynamics studies guide and explain experimental results, including those from high-energy X-ray experiments at synchrotrons (such as the Advanced Photon Source at Argonne National Laboratory), from measurement of ion diffusivities using nuclear magnetic resonance techniques, and density and viscosity experiments. Another important aspect of the project is to obtain a quantitative understanding of the arrangement of the ionic liquid anions and cations in vacuum or specific solid interfaces. The Castner group is extending the bulk liquid simulations to include vacuum interfaces, while angle-resolved X-ray photoelectron spectroscopy measurements are providing the density profiles of specific atoms at the interface. Both the Margulis and Castner groups continue to participate in both computational studies of ionic liquids and synchrotron-based X-ray experiments, providing excellent collaborative cross-training research experiences for younger scientists. Inclusion of Professor Lall-Ramnarine and her students provides a first research experience for community college students.

美国国家科学基金会化学部的化学结构、动力学和机制计划（CSDM-A）支持爱荷华州大学（P.I.）教授Claudio J. Margulis的合作研究工作。and Edward W.小卡斯特纳（co-P.I.）在罗格斯大学，新泽西的州立大学，与合成合作，包括教授沙龙Lall-Ramnarine在皇后区社区学院。这项研究的重点是发展一个更完整的理解的分子水平结构的一类特殊的液体称为离子液体。离子液体因其在各种技术中的潜在应用而引起人们的兴趣，例如，电池和气体分离系统。Margulis和Castner教授正在研究离子液体的分子结构如何影响其“厚度”（粘度）和电导率等特性。离子液体是一类有趣的化合物，其与盐一样由带正电荷的原子或分子（阳离子）和带负电荷的原子或分子（阴离子）组成。离子液体是在室温或接近室温下熔融的盐。该研究涉及两种实验技术（例如，X射线光谱学和合成）和计算机建模。该研究项目有望增加我们对离子液体性质的理解，使其能够更好地应用于现代储能技术中的各种问题，以及其他新颖的应用。参与该研究项目的学生正在以非传统方式挑战研究生的高度跨学科环境中获得经验。例如，马古利斯小组的学生，他们的兴趣和专业知识主要是在理论和计算上花时间在卡斯特纳实验室，在那里他们获得实际实验的经验。与此同时，Castner小组的实验研究生研究人员正在Margulis教授的指导下进行模拟工作。最后，皇后区社区学院的合作正在为少数民族服务的准一级机构的选定本科生提供研究经验。液体可以在不同的长度尺度上表现出结构有序性，从两个分子之间简单的成对相互作用到可以延伸超过几纳米的氢键网络。离子液体已被证明具有由带正电荷的阳离子和带负电荷的阴离子之间的强相互作用与这些分子离子上的疏水基团的组合产生的中间范围的结构顺序。Margulis和Castner小组最近的一些工作表明，离子液体可以被设计成使这种中程有序被破坏。这种结构破坏与较低的粘度相关，这为开发用于增强型电池和双电层技术的上级电解质提供了机会。在这个项目中，Margulis和Castner团队试图了解具有某些离子组合的离子液体是否会进一步破坏中程有序。计算分子动力学研究指导和解释实验结果，包括那些来自同步加速器的高能X射线实验（如阿贡国家实验室的高级光子源），使用核磁共振技术测量离子扩散率，以及密度和粘度实验。该项目的另一个重要方面是获得对离子液体阴离子和阳离子在真空或特定固体界面中的排列的定量理解。Castner小组正在将大量液体模拟扩展到包括真空界面，而角度分辨X射线光电子能谱测量正在提供界面处特定原子的密度分布。Margulis和Castner团队继续参与离子液体的计算研究和基于同步加速器的X射线实验，为年轻科学家提供了出色的协作交叉培训研究经验。Lall-Ramnarine教授和她的学生的加入为社区学院的学生提供了第一次研究经验。

项目成果

期刊论文数量（5）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Structural analysis of ionic liquids with symmetric and asymmetric fluorinated anions

对称和不对称氟化阴离子离子液体的结构分析

DOI：
10.1063/1.5111643
发表时间：
2019
期刊：
The Journal of Chemical Physics
影响因子：
0
作者：
Zhao, Man;Wu, Boning;Lall-Ramnarine, Sharon I.;Ramdihal, Jasodra D.;Papacostas, Kristina A.;Fernandez, Eddie D.;Sumner, Rawlric A.;Margulis, Claudio J.;Wishart, James F.;Castner, Jr., Edward W.
通讯作者：
Castner, Jr., Edward W.

In an ionic liquid, high local friction is determined by the proximity to the charge network