2026-04-27T20:51:37Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/93202024-07-02T00:05:25Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330

00925njm 22002777a 4500 dc Gutiérrez Vega, Alberto author Rozas Azcona, Sara author Zamora Pastor, Lorena author Benito, Cristina author Atilhan, Mert author Aparicio Martínez, Santiago author 2023-11-15 A deep eutectic solvent was formed by considering the mixtures of tetrabutylammonium chloride and levulinic acid, and it is studied via a combined theoretical and experimental approach. Physicochemical properties were measured as a function of temperature, providing a macroscopic characterization of the fluid. Quantum chemistry and classical molecular dynamics simulations were carried out for the nanoscopic characterization, providing attention to the nature, extension, and dynamics of the hydrogen bonding network, which is at the root of the properties of the fluid. The reported study allows multiscale characterization of this fluid as an archetypical example of a natural, low-cost, and sustainable fluid. 0888-5885 http://hdl.handle.net/10259/9320 10.1021/acs.iecr.3c02102 1520-5045 Nature of a Tetrabutylammonium Chloride–Levulinic Acid Deep Eutectic Solvent