RT info:eu-repo/semantics/article
T1 Tuning the properties of ionic liquids by mixing with organic solvents: The case of 1-butyl-3-methylimidazolium glutamate with alkanols
A1 Ghazipour, H.
A1 Gutiérrez Vega, Alberto
A1 Alavianmehr, M. M.
A1 Hosseini, S. M.
A1 Aparicio Martínez, Santiago
K1 Aminoacid ionic liquid
K1 Alkanols
K1 Liquid mixtures
K1 Hydrogen bonding
K1 Quantum chemistry
K1 Molecular dynamics
K1 Química física
K1 Chemistry, Physical and theoretical
AB 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.
PB Elsevier
SN 0167-7322
YR 2022
FD 2022-02
LK http://hdl.handle.net/10259/6382
UL http://hdl.handle.net/10259/6382
LA eng
NO Shiraz University of Technology and Ministerio de Ciencia, Innovación y Universidades (Spain, project RTI2018-101987-B-I00).
DS Repositorio Institucional de la Universidad de Burgos
RD 25-abr-2024