RT Dissertation/Thesis
T1 Theoretical and computational study of nanostructures dispersion on ionic liquids and its mixtures
A1 Otero Mato, José Manuel
K1 Líquidos iónicos
K1 simulación
K1 estrutura
K1 dinámica
AB In this thesis, an exhaustive study of ionic liquids (ILs) and their mixtures indifferent conditions is presented. These materials present a very interesting set of properties that makes them idealfor multiple applications, e.g. batteries, super-capacitors or as universal solvents. The main aim of this work is todraw a very detailed picture of the behaviour of these dense ionic fluids in presence of structures of different sizes,topologies and materials. To achieve this task, molecular simulations were performed to characterize a wide varietyof scenarios such as ILs and their mixtures in presence of relatively small spherical particles or confined betweenplanar interfaces. To complement and to better understand the obtained results, theoretical models are alsoproposed and validated. In addition, for some systems, the results were supported by experimental measurements,showing in all cases very good agreement with the computational results. Altogether, a very deep understanding ofthe fundamental properties of ILs is achieved, which brings closer the possibility of studying and understandingdispersions of larger and more complex structures in these media.
YR 2022
FD 2022
LK http://hdl.handle.net/10347/29303
UL http://hdl.handle.net/10347/29303
LA eng
DS Minerva
RD 24 abr 2026