Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry
Ionic liquids (ILs) are charged fluids composed of anions and cations of different size and shape. The ordering of charge and density in ILs confined between charged interfaces underlies numerous applications of IL electrolytes. Here, we analyze the screening behavior and the resulting structural fo...
| Main Authors: | , , , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
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American Chemical Society
2024
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| Online Access: | https://hdl.handle.net/1721.1/157605 |
| _version_ | 1824458433394376704 |
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| author | de Souza, J Pedro Pivnic, Karina Bazant, Martin Z Urbakh, Michael Kornyshev, Alexei A |
| author2 | Massachusetts Institute of Technology. Department of Chemical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Chemical Engineering de Souza, J Pedro Pivnic, Karina Bazant, Martin Z Urbakh, Michael Kornyshev, Alexei A |
| author_sort | de Souza, J Pedro |
| collection | MIT |
| description | Ionic liquids (ILs) are charged fluids composed of anions and cations of different size and shape. The ordering of charge and density in ILs confined between charged interfaces underlies numerous applications of IL electrolytes. Here, we analyze the screening behavior and the resulting structural forces of a representative IL confined between two charge-varied plates. Using both molecular dynamics simulations and a continuum theory, we contrast the screening features of a more-realistic asymmetric system and a less-realistic symmetric one. The ionic size asymmetry plays a nontrivial role in charge screening, affecting both the ionic density profiles and the disjoining pressure distance dependence. Ionic systems with size asymmetry are stronger coupled systems, and this manifests itself both in their response to the electrode polarization and spontaneous structure formation at the interface. Analytical expressions for decay lengths of the disjoining pressure are obtained in agreement with the pressure profiles computed from molecular dynamics simulations. |
| first_indexed | 2025-02-19T04:25:49Z |
| format | Article |
| id | mit-1721.1/157605 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2025-02-19T04:25:49Z |
| publishDate | 2024 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | mit-1721.1/1576052025-01-03T04:12:10Z Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry de Souza, J Pedro Pivnic, Karina Bazant, Martin Z Urbakh, Michael Kornyshev, Alexei A Massachusetts Institute of Technology. Department of Chemical Engineering Massachusetts Institute of Technology. Department of Mathematics Ionic liquids (ILs) are charged fluids composed of anions and cations of different size and shape. The ordering of charge and density in ILs confined between charged interfaces underlies numerous applications of IL electrolytes. Here, we analyze the screening behavior and the resulting structural forces of a representative IL confined between two charge-varied plates. Using both molecular dynamics simulations and a continuum theory, we contrast the screening features of a more-realistic asymmetric system and a less-realistic symmetric one. The ionic size asymmetry plays a nontrivial role in charge screening, affecting both the ionic density profiles and the disjoining pressure distance dependence. Ionic systems with size asymmetry are stronger coupled systems, and this manifests itself both in their response to the electrode polarization and spontaneous structure formation at the interface. Analytical expressions for decay lengths of the disjoining pressure are obtained in agreement with the pressure profiles computed from molecular dynamics simulations. 2024-11-18T21:21:19Z 2024-11-18T21:21:19Z 2022-02-17 2024-11-18T21:15:04Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/157605 de Souza, J Pedro, Pivnic, Karina, Bazant, Martin Z, Urbakh, Michael and Kornyshev, Alexei A. 2022. "Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry." The Journal of Physical Chemistry B, 126 (6). en 10.1021/acs.jpcb.1c09441 The Journal of Physical Chemistry B Creative Commons Attribution https://creativecommons.org/licenses/by/4.0/ application/pdf American Chemical Society American Chemical Society |
| spellingShingle | de Souza, J Pedro Pivnic, Karina Bazant, Martin Z Urbakh, Michael Kornyshev, Alexei A Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry |
| title | Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry |
| title_full | Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry |
| title_fullStr | Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry |
| title_full_unstemmed | Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry |
| title_short | Structural Forces in Ionic Liquids: The Role of Ionic Size Asymmetry |
| title_sort | structural forces in ionic liquids the role of ionic size asymmetry |
| url | https://hdl.handle.net/1721.1/157605 |
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