On the properties of N-methyl-۲-pyrrolidonium hydrogen sulfate ionic liquid and alkanol mixtures
سال انتشار: 1402
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 100
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شناسه ملی سند علمی:
BCBCN07_015
تاریخ نمایه سازی: 3 مهر 1402
چکیده مقاله:
The properties of N-methyl-۲-pyrrolidonium hydrogen sulfate mixed with alkanols are studied as a function of mixtures composition and temperature. Experimental physicochemical properties combined with molecular simulation (quantum chemistry and classical molecular dynamics) were considered, thus providing a micro and macroscopic characterization of fluids' structuring, intermolecular forces and molecular aggregation. The results were analyzed in thermodynamics terms considering deviations of ideality and mixing properties as well as from the coordination and interaction between the involved ions and molecules by the developed complex hydrogen bonding networks. The results allow a multiscale characterization of the considered mixed systems thus providing the required information for the possible applications of low viscous protic pyrrolidonium based ionic liquids and their mixtures with relevant hydrogen bonding molecular cosolvents.
کلیدواژه ها:
نویسندگان
N. Falahati
Shiraz University of Technology
S.M Hosseini
Shiraz University of Technology
M.M. Alavianmehr
Shiraz University of Technology
R. Khalifeh
Shiraz University of Technology
S. Aparicio
Shiraz University of Technology