Theoretical and Computational Study of the Structure and Dynamics of Ionic Liquid Mixtures: Thermodynamical and Interfacial Properties
Ionic liquids (ILs) are nanostructured green solvents with very useful properties for a large number of applications, including synthesis and catalysis, electrochemistry, or energy storage. These properties are determined by the choice of anion and cation, and can be further fine-tuned for specific...
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| Tipo de recurso: | tesis doctoral |
| Fecha de publicación: | 2019 |
| País: | España |
| Institución: | Universidad de Santiago de Compostela (USC) |
| Repositorio: | Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela |
| Idioma: | inglés |
| OAI Identifier: | oai:minerva.usc.gal:10347/18262 |
| Acceso en línea: | http://hdl.handle.net/10347/18262 |
| Access Level: | acceso abierto |
| Palabra clave: | Materias::Investigación::22 Física::2204 Física de fluidos::220408 Líquidos Materias::Investigación::22 Física::2205 Mecánica::220510 Mecánica estadística Materias::Investigación::12 Matemáticas::1203 Ciencia de los ordenadores::120326 Simulación Materias::Investigación::22 Física::2213 Termodinámica::221311 Fenómenos de transporte |
| Sumario: | Ionic liquids (ILs) are nanostructured green solvents with very useful properties for a large number of applications, including synthesis and catalysis, electrochemistry, or energy storage. These properties are determined by the choice of anion and cation, and can be further fine-tuned for specific applications by means of mixing with molecular cosolvents or other ILs. This has resulted in them being known as "designer solvents." This thesis presents computer simulation studies, supplemented by experimental measurements, of mixtures of ILs with molecular cosolvents (water and alcohols) and other ILs, in order to understand their nanostructured mixing mechanisms in bulk mixtures and nanoconfined at the electrochemical interface. |
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