General framework for the study of dynamical properties and arrested states of ionic liquids
In this work, we present a first-principles theoretical framework for the description of structural and dynamical behaviors of ionic liquids. This framework applies the self-consistent generalized Langevin equation (SCGLE) theory, which predicts the dynamically arrested states of several physical sy...
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| Veröffentlicht in: | Physics of fluids (1994) 2022-08, Vol.34 (8) |
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| container_title | Physics of fluids (1994) |
| container_volume | 34 |
| creator | Farias-Anguiano, Mariana E. Sánchez-Díaz, Luis E. Cortés-Morales, Ernesto C. Ramírez-González, Pedro E. |
| description | In this work, we present a first-principles theoretical framework for the description of structural and dynamical behaviors of ionic liquids. This framework applies the self-consistent generalized Langevin equation (SCGLE) theory, which predicts the dynamically arrested states of several physical systems, including charge and size asymmetric ionic liquids. In its current form, the SCGLE is a particularly useful framework for predictions of arrested and partially arrested states in both classical and room-temperature molten salts, electrolytic solutions, and superionic conductors. Some illustrative examples of the predictive power of our framework are presented in this work, showing its potential application in design and development of novel conducting materials. |
| doi_str_mv | 10.1063/5.0095000 |
| format | Article |
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| ispartof | Physics of fluids (1994), 2022-08, Vol.34 (8) |
| issn | 1070-6631 1089-7666 |
| language | eng |
| recordid | cdi_scitation_primary_10_1063_5_0095000 |
| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Conduction Conductors First principles Fluid dynamics Ionic liquids Molten salts Physics Room temperature |
| title | General framework for the study of dynamical properties and arrested states of ionic liquids |
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