| 项目编号: | 1649455
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| 项目名称: | CAREER: Molecular modeling of solidification of nanoconfined ionic liquids |
| 作者: | Francisco Hung
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| 承担单位: | Northeastern University
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| 批准年: | 2016
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| 开始日期: | 2016-07-01
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| 结束日期: | 2018-03-31
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| 资助金额: | 200720
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| 资助来源: | US-NSF
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| 项目类别: | Standard Grant
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| 国家: | US
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| 语种: | 英语
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| 特色学科分类: | Engineering - Chemical, Bioengineering, Environmental, and Transport Systems
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| 英文关键词: | il
; ionic liquid
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| 英文摘要: | Solidification of ionic liquids (ILs) inside templating nanoporous materials (e.g., MWCNTs, TMSs and AAMs) is one step in the synthesis of optically-active (e.g., fluorescent) and magnetic nanomaterials based on ionic liquids (ILs). These IL-based nanomaterials have potential applications in fields as diverse as optoelectronics, photovoltaics, separations, analytical chemistry and biomedicine. Therefore, determining the nanostructure of IL-based nanomaterials in confined spaces is important for understanding the (nano)structure-property relationships of these materials for their rational design and use. The PI proposes to conduct fundamental molecular level investigations to understand the behavior of ILs confined in nanopores. The proposed work will include molecular dynamics (MD) simulations of representative ILs inside different templating materials (carbon nanotubes, mesoporous silicas, slit graphitic nanopores, etc), and the nanostructure of the confined ILs will be characterized by order parameters (OPs) that will enable the PI to detect crystalline order in nm-sized regions. The inclusion of an experimental collaboration strengthens this proposals approach.
The work proposes to understand an important aspect of the behavior of ILs in the solid phase, when confined in nanopores, by looking at nanoscale properties on a fundamental level. A better understanding of the phases of ILs in nano-sized confinement will help advance the potential application of this material for optoelectronics, photovoltaics, separations, sensing, analytical and biomedical applications. ILs have also been considered potential candidates for developing systems for CO2 sequestration. |
| 资源类型: | 项目
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| 标识符: | http://119.78.100.158/handle/2HF3EXSE/91821
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| Appears in Collections: | 全球变化的国际研究计划
科学计划与规划
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| Recommended Citation: | |
Francisco Hung. CAREER: Molecular modeling of solidification of nanoconfined ionic liquids. 2016-01-01.
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