Elucidation of molecular interactions between ionic liquid [Emim][triflate] with 2-methoxyethanol & N-methylpyrrolidone: Experimental and COSMO-RS studies

authors	Aangothu, SR; Khan, I; Munnangi, SR; Raju, KTSS; Bollikolla, HB
nationality	International
journal	JOURNAL OF MOLECULAR LIQUIDS
author keywords	[Emiml[triflate]; 2-Methoxyethanol; N-Methylpyrrolidone; Excess thermodynamic parameters; PFP theory, COSMO-RS
keywords	EXCESS MOLAR VOLUMES; BINARY-MIXTURES; 1-ETHYL-3-METHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE; THERMOPHYSICAL PROPERTIES; REFRACTIVE-INDEX; THERMODYNAMIC PROPERTIES; PHYSICAL-PROPERTIES; PLUS WATER; 328.15 K; SOUND
abstract	To progress the understanding of molecular interaction for the binaries of an IL, [Emim][triflate] with 2-methoxyethanol (ME) or N-methylpyrrolidone (NMP), thermo acoustic and volumetric properties such as speeds of sound (u) and densities (rho) were measured as a function of temperature between (298.15-318.15) K over the entire composition range at ambient pressure. The combined volumetric and quantum-chemical (COSMO-RS) calculations have been utilized. These excess properties were fitted to Redlich-Kister type equation for acquiring the binary coefficients and standard deviations. Simultaneously, the COSMO-RS studies exhibited qualitative analysis of ion-pair formation, interactions of ion-dipole and hydrogen bonding between IL with the studied molecular solvents. The experimentally obtained excess molar volumes are further analyzed with the help of Prigogine-Flory-Patterson (PFP) theory. (C) 2017 Published by Elsevier B.V.
publisher	ELSEVIER SCIENCE BV
issn	0167-7322
year published	2018
volume	251
beginning page	286
ending page	295
digital object identifier (doi)	10.1016/j.molliq.2017.12.017
web of science category	Chemistry, Physical; Physics, Atomic, Molecular & Chemical
subject category	Chemistry; Physics
unique article identifier	WOS:000425564300032