On the properties of N-methyl-2-pyrrolidonium hydrogen sulfate ionic liquid and alkanol mixtures
作者： R. Khalifeh , S. Aparicio , M.M. Alavianmehr , S.M. Hosseini , A. Gutiérrez
DOI: 10.1016/J.MOLLIQ.2021.115925
关键词: Thermodynamics 、 Ionic liquid 、 Characterization (materials science) 、 Hydrogen bond 、 Molecule 、 Molecular dynamics 、 Quantum chemistry 、 Intermolecular force 、 Chemistry 、 Ion
摘要: Abstract The properties of N-methyl-2-pyrrolidonium hydrogen sulfate mixed with alkanols are studied as a function mixtures composition and temperature. Experimental physicochemical combined molecular simulation (quantum chemistry classical dynamics) were considered, thus providing micro macroscopic characterization fluids' structuring, intermolecular forces aggregation. results analyzed in thermodynamics terms considering deviations ideality mixing well from the coordination interaction between involved ions molecules by developed complex bonding networks. allow multiscale considered systems required information for possible applications low viscous protic pyrrolidonium-based ionic liquids their relevant cosolvents.
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