2026-04-17T15:07:36Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/74742024-07-25T07:48:37Zcom_10259_9476com_10259.4_106com_10259_2604com_10259_4323com_10259_5086col_10259_9477col_10259_4330
Repositorio Institucional de la Universidad de Burgos
author
Aguilar Cuesta, Nuria
author
Barros García, Rocío
author
Tamayo Ramos, Juan Antonio
author
Martel Martín, Sonia
author
Bol Arreba, Alfredo
author
Atilhan, Mert
author
Aparicio Martínez, Santiago
2023-03-01T08:45:26Z
2023-03-01T08:45:26Z
2022-12
0167-7322
http://hdl.handle.net/10259/7474
10.1016/j.molliq.2022.120637
A theoretical study using Density Functional Theory and classical Molecular Dynamics simulations for the
study of carbon nanomaterials in archetypical Menthol + Thymol Type V Natural Deep Eutectic Solvent is
reported. The nanoscopic structure of the representative nanofluid is analyzed considering confinement,
adsorption and solvation effects, as well as consequences on diffusion properties through nano pores.
Different types of nanomaterials were considered such as fullerenes, nanotubes, graphene and nanopores.
The study of nanoscopic properties allowed to analyze the response of the solvent to the presence of the
nanomaterials, taking into account solvent rearrangement and confinement in nanocavities and surfaces.
This response shows liquid structure and mobility consequences, with a sort of nano-Venturi effect
among them. The reported results provide for the first time a characterization of this type of natural solvents as a sustainable platform for the development of carbon – nanomaterials-based technologies.
eng
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Natural Deep Eutectic solvents
Carbon nanomaterials
Graphene
Modelling
Adsorption
Confinement
Carbon nanomaterials with Thymol + Menthol Type V natural deep eutectic solvent: From surface properties to nano-Venturi effect through nanopores
info:eu-repo/semantics/article
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URL
https://riubu.ubu.es/bitstream/10259/7474/1/Aguilar-jml_2022.pdf
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Aguilar-jml_2022.pdf