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:1664809
- 负责人:
- 金额:$ 36.47万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing 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:
- 关键词:
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化学结构、动力学和机理计划(CSDM-A)支持爱荷华大学克劳迪奥·J·马古利斯教授的合作研究努力。和小爱德华·W·卡斯特纳。(共同P.I.)在新泽西州立大学罗格斯,与包括昆斯伯勒社区学院的莎伦·拉尔-拉姆纳林教授在内的合成合作。这项研究的重点是更全面地了解一类特殊的液体--离子液体的分子能级结构。离子液体因其在电池和气体分离系统等各种技术中的潜在应用而受到人们的广泛关注。Marguis教授和Castner教授正在研究离子液体的分子结构如何影响它们的“厚度”(粘度)和导电性等性质。离子液体是一类有趣的化合物,像盐一样,它是由带正电的原子或分子(阳离子)和带负电的原子或分子(阴离子)组成的。离子液体是在室温或接近室温时熔化的盐。这项研究既涉及实验技术(例如X射线光谱学和合成),也涉及计算机模拟。这一研究项目有望增进我们对离子液体性质的了解,使其能够更好地应用于现代储能技术中的各种问题,以及其他新的应用。参与这个研究项目的学生在一个高度跨学科的环境中获得了经验,这种环境以非传统的方式挑战研究生。例如,Marguis组的学生主要在理论和计算方面感兴趣和专长,他们在Castner实验室花费时间,在那里他们获得实际实验的经验。与此同时,来自卡斯特纳小组的实验研究生研究人员正在马古利斯教授的指导下进行模拟工作。最后,昆斯伯勒社区学院的合作正在为一所为少数族裔服务的专科学校挑选的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,从两个分子之间简单的成对相互作用到可能延伸到几个纳米的氢键网络。离子液体具有中等范围的结构有序性,这是由于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,以及这些分子离子上的疏水基团所引起的。Marguis和Castner小组最近的一些工作表明,离子液体可以被设计成这种中程有序被打乱。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电子双层技术的优质电解液提供了机会。在这个项目中,Marguis和Castner团队试图了解含有某些离子组合的离子液体是否会进一步扰乱中程秩序。计算分子动力学研究指导和解释实验结果,包括同步加速器(如阿贡国家实验室的高级光子源)的高能X射线实验、使用核磁共振技术测量离子扩散系数以及密度和粘度实验的结果。该项目的另一个重要方面是对离子液体阴阳离子在真空或特定固体界面中的排列有一个定量的了解。卡斯特纳团队正在将大块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上特定原子的密度分布。Marguis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,为年轻科学家提供出色的协作交叉培训研究体验。拉尔-拉姆纳林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)
ROAMing in mutable voids: Polymer free volumes from wobbling vibrational probes
在可变空隙中漫游:来自摆动振动探针的聚合物自由体积
- DOI:10.1073/pnas.2009604117
- 发表时间:2020
- 期刊:
- 影响因子:0
- 作者:Castner, Jr, Edward W.
- 通讯作者:Castner, Jr, Edward W.
Structural analysis of zwitterionic liquids vs. homologous ionic liquids
两性离子液体与同系离子液体的结构分析
- DOI:10.1063/1.5010983
- 发表时间:2018
- 期刊:
- 影响因子:0
- 作者:Wu, Boning;Kuroda, Kosuke;Takahashi, Kenji;Castner, Jr., Edward W.
- 通讯作者:Castner, Jr., Edward W.
Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques
- DOI:10.1063/1.5021868
- 发表时间:2018-04-07
- 期刊:
- 影响因子:4.4
- 作者:Campetella, Marco;Mariani, Alessandro;Gontrani, Lorenzo
- 通讯作者:Gontrani, Lorenzo
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:
- 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.
Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids
三亲性室温离子液体的微观结构和动力学特征
- DOI:10.3389/fchem.2019.00285
- 发表时间:2019
- 期刊:
- 影响因子:5.5
- 作者:Lo Celso, Fabrizio;Appetecchi, Giovanni B.;Simonetti, Elisabetta;Zhao, Man;Castner, Edward W.;Keiderling, Uwe;Gontrani, Lorenzo;Triolo, Alessandro;Russina, Olga
- 通讯作者:Russina, Olga
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Edward Castner其他文献
Edward Castner的其他文献
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{{ truncateString('Edward Castner', 18)}}的其他基金
Collaborative Research: Ionic Liquid Structural Paradigms- Beyond Alkyl Tails
合作研究:离子液体结构范式——超越烷基尾
- 批准号:
1362272 - 财政年份:2014
- 资助金额:
$ 36.47万 - 项目类别:
Standard Grant
Collaborative Research: Ionic Liquids- Cations in the Spotlight and Single Atom Changes with Large Consequences
合作研究:离子液体——聚光灯下的阳离子和具有重大后果的单原子变化
- 批准号:
1112077 - 财政年份:2011
- 资助金额:
$ 36.47万 - 项目类别:
Continuing Grant
Dynamics and Interactions in Ionic Liquids
离子液体的动力学和相互作用
- 批准号:
0718391 - 财政年份:2007
- 资助金额:
$ 36.47万 - 项目类别:
Continuing Grant
Dynamics, Microviscosity, and Length Scales in Aqueous Polymer Solutions
聚合物水溶液中的动力学、微粘度和长度尺度
- 批准号:
0239390 - 财政年份:2003
- 资助金额:
$ 36.47万 - 项目类别:
Standard Grant
"ULTRAFAST MOLECULAR DYNAMICS: SUPERCRITICAL FLUIDS, AND INTERFACIAL WATER ON BIOMOLECULES"
“超快分子动力学:超临界流体和生物分子上的界面水”
- 批准号:
9903663 - 财政年份:1999
- 资助金额:
$ 36.47万 - 项目类别:
Fellowship Award
Ultrafast Dynamics and Spectroscopy of Photosystem I Subunits at Low Temperatures
低温下光系统 I 亚基的超快动力学和光谱学
- 批准号:
8702541 - 财政年份:1987
- 资助金额:
$ 36.47万 - 项目类别:
Standard Grant
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- 批准号:10774081
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- 项目类别:面上项目
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