2022 Fiscal Year Final Research Report
Identification of factors determining the channel width dependence of ionic liquid viscosity coefficients and modeling of the dependence
| Project/Area Number |
20K04260
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 19010:Fluid engineering-related
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| Research Institution | University of Fukui |
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Principal Investigator |
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| Project Period (FY) |
2020-04-01 – 2023-03-31
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| Keywords | イオン液体 / 粘性係数 / 分子動力学 / 電視状態計算 |
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| Outline of Final Research Achievements |
The purpose of this study was to clarify how the viscosity coefficient of ionic liquids varies with the size of microchannels using molecular dynamics simulations. When an electric field was applied to the microchannel in the direction perpendicular to the channel, it was found that the electric field generated inside the microchannel varied significantly with the channel width. This revealed that the structure of the electric doublet of the ionic liquid depends strongly on the channel width. On the other hand, the viscosity coefficient underestimated the experimental value. Therefore, in order to develop a quantitative numerical model, the charge that can be represented the experimetal results of viscosity was determined using first principle calculations. However, the tendency to underestimate the viscosity did not change.
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| Free Research Field |
物理化学
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| Academic Significance and Societal Importance of the Research Achievements |
イオン液体は特に電気化学分野での利用が期待されている物質である．特に近年発展が著しいナノデバイスにおいてその挙動を数値計算で解析することができれば、今後のナノオーダーデバイスの開発に大きく貢献することが出来る。本研究で得られた知見は，流路幅が十分に小さくなるとイオン液体の誘電特性が変化することが明らかになった。これは電池の高効率化などに大きく貢献できると考えられる．また，イオン液体の粘性係数の計算が通常の古典分子動力学では難しい事は知られて来たが、電視状態計算を用いた電荷解析を用いても困難であり，分極モデルを加味したモデルで計算する必要がある事が再確認された。
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