RT Journal Article
T1 On the physical properties of mixtures of nitrate salts and protic ionic liquids
A1 Vallet Moreno, Pablo
A1 Bouzón Capelo, Silvia Diana
A1 Méndez Morales, Trinidad
A1 Gómez González, Víctor
A1 Arosa Lobato, Yago
A1 Fuente Carballo, Raúl de la
A1 López Lago, María Elena
A1 Rodríguez González, Julio Ramón
A1 Gallego del Hoyo, Luis Javier
A1 Parajó Vieito, Juan José
A1 Salgado Carballo, Josefa
A1 Turmine, Mireille
A1 Segade Zas, Luisa María
A1 Cabeza Gras, Óscar
A1 Varela Cabo, Luis Miguel
K1 Protic ionic liquids
K1 Inorganic salts
K1 Mixtures
K1 Physicochemical properties
K1 Optical properties
K1 MD simulations
AB We report a systematic study of the effect of salt concentration and its cation valence on several equilibrium and transport properties of mixtures of the model protic ionic liquid ethylammonium nitrate with monovalent (LiNO3), divalent (Mg(NO3)2 and Ca(NO3)2), and trivalent (Al(NO3)3) salts. These properties, determined by appropriate experimental techniques, include density, sound velocity, refractive index, surface tension, conductivity and viscosity. Single-particle dynamics and radial distribution functions were also analyzed by means of molecular dynamics simulations. The temperature dependence of the conductivity was studied in the Vogel-Fulcher-Tammann framework, and we obtained effective activation energies, fragility indexes, and Vogel temperatures. In addition, we performed a high-temperature Arrhenius analysis and we calculated the activation energies of both conductivity and viscosity. Finally, the exponents of the fractional Walden rule for the different mixtures were obtained and the ionicities and fragilities of the systems were analyzed, proving that all the mixtures are subionic and fragile. The distortion of the network of hydrogen bonds characteristic of protic ionic liquids and the formation of long-lived anionic aggregates composed of the cations of the added salt and the nitrate anions in their first solvation shell were found to have a deep impact on the analyzed properties. The role of the surface charge density of the salt cations on the structure and transport properties of the solutions is detailedly analyzed and related to solvation of salt species in the polar nanoregions of the ionic liquid (nanostructured solvation)
PB Elsevier
YR 2022
FD 2022
LK http://hdl.handle.net/10347/27599
UL http://hdl.handle.net/10347/27599
LA eng
NO Journal of Molecular Liquids 350 (2022) 118483
NO The financial support of the Spanish Ministry of Economy and Competitiveness (Projects MAT2017-89239-C2-1-P and MAT2017-89239- C2-2-P) is gratefully acknowledged. Moreover, this work was funded by the Xunta de Galicia (ED431D 2017/06, ED431E 2018/08, GRC ED431C 2016/001 and GRC ED431C 2020/10). All these research projects were partially supported by FEDER. P. V. thanks the Spanish Ministry of Science, Innovation and Universities for his FPI grant (PRE2018-084212). T.M.-M. thanks the Spanish Ministry of Science, Innovation and Universities for her Juan de la Cierva grant (IJC2018-036774-I).J. J. Parajó thanks the funding support of I2C postdoctoral program of Xunta de Galicia. Y. A. thanks the funding support from postdoctoral Program of Xunta de Galicia (ED481B-2021-027)
DS Minerva
RD 28 abr 2026