2026-10-30T16:04:01Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/120302026-09-09T00:05:29Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330
Repositorio Institucional de la Universidad de Burgos
author
Aguilar Cuesta, Nuria
author
Benito, Cristina
author
Martel Martín, Sonia
author
Gutiérrez Vega, Alberto
author
Rozas Azcona, Sara
author
Marcos Villa, Pedro A.
author
Bol Arreba, Alfredo
author
Atilhan, Mert
author
Aparicio Martínez, Santiago
2026-09-07T12:43:16Z
2026-09-07T12:43:16Z
2024-12
0887-0624
https://hdl.handle.net/10259/12030
10.1021/ACS.ENERGYFUELS.4C03623
1520-5029
The urge to adopt cleaner technologies drives the search for novel and sustainable materials such as Hydrophobic Natural Deep Eutectic Solvents (HNADESs), a new class of green solvents characterized by their low toxicity, biodegradability, and tunable properties, aiming to be applied in various fields for handling non-polar substances. In this work, the solubilization of hydrocarbons in type V HNADESs (non-ionic organic molecules) formed by mixing carvone, a natural monoterpenoid, with organic acids (hexanoic to decanoic acids) is examined by applying both experimental and theoretical approaches. The synthesis and physicochemical characterization of different HNADESs allowed us to tailor their properties, aiming for optimal interactions with desired hydrocarbons. The solubilization of hydrocarbons in CAR:C10AC (1:1) HNADES is evaluated in terms of HNADES content, temperature, and the structure of the hydrocarbon itself (C6, C10, and C14 being the selected ones). To gain deeper insights into the underlying mechanisms of interactions between the solvents and the alkanes, a comprehensive multiscale computational study was carried out to analyze the nature of the interactions, the changes upon formation of HNADESs and hydrocarbon solubilization in the fluid’s nanostructure, and the possible toxicological effects of the solvents. The findings hold the potential to significantly impact the realm of hydrocarbon exploration and utilization.
eng
Atribución 4.0 Internacional
Noncovalent interactions
Hydrocarbons
Molecules
Mixtures
Molecular interactions
Insights into Carvone: Fatty Acid Hydrophobic NADES for Alkane Solubilization
info:eu-repo/semantics/article
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
URL
https://riubu.ubu.es/bitstream/10259/12030/1/Aguilar-ef_2024.pdf
File
MD5
4b9a8b6eb6c212e96150e07271350372
4875954
application/pdf
Aguilar-ef_2024.pdf