2026-04-17T18:53:25Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/63822022-12-02T12:11:35Zcom_10259_6185com_10259_3591com_10259.4_106com_10259_2604com_10259_4323com_10259_5086col_10259_6186col_10259_4330
Repositorio Institucional de la Universidad de Burgos
author
Ghazipour, H.
author
Gutiérrez Vega, Alberto
author
Alavianmehr, M. M.
author
Hosseini, S. M.
author
Aparicio Martínez, Santiago
2022-02-01T09:32:50Z
2022-02-01T09:32:50Z
2022-02
0167-7322
http://hdl.handle.net/10259/6382
10.1016/j.molliq.2021.117953
Binary liquid mixtures of 1-butyl-3-methylimidazolium glutamate acid ([bmim][glu]) with alkanols (1-propanol, isobutanol and 1,2-propanediol) are studied in the full composition range as a function of temperature using a combined experimental and computational chemistry approach. Experimental thermophysical information as well as derived excess and mixing properties allowed to characterize these complex liquid mixtures in terms of deviation from ideality as well their relationships with the developed intermolecular forces and changes with the type of considered alkanols. Theoretical studies using quantum chemistry and classical molecular dynamics simulations provided nanoscopic characterization on the studied fluids, with particular attention to the extension and nature of hydrogen bonding and its effects on molecular arrangements and mixed fluids’ properties. The reported study provides a micro and macroscopic characterization of the considered aminoacid-based ionic liquid mixtures, thus contributing to the knowledge of sustainable ionic liquid systems mixed with organic solvents for fine tuning properties and developing task specific applications.
eng
Attribution-NonCommercial-NoDerivatives 4.0 Internacional
Aminoacid ionic liquid
Alkanols
Liquid mixtures
Hydrogen bonding
Quantum chemistry
Molecular dynamics
Tuning the properties of ionic liquids by mixing with organic solvents: The case of 1-butyl-3-methylimidazolium glutamate with alkanols
info:eu-repo/semantics/article
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URL
https://riubu.ubu.es/bitstream/10259/6382/1/Ghazipour-jml_2022.pdf
File
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application/pdf
Ghazipour-jml_2022.pdf