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

作者：Aangothu Sreenivasa Rao; Khan Imran; Munnangi Srinivasa Reddy; Raju Thomas S S K; Bollikolla Hari Babu^*

来源：Journal of Molecular Liquids, 2018, 251: 286-295.

DOI：10.1016/j.molliq.2017.12.017

• [Emiml[triflate]
• 2-Methoxyethanol
• N-Methylpyrrolidone
• Excess thermodynamic parameters
• PFP theory, COSMO-RS

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.

• 出版日期2018-2