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

Sreenivasa Rao Aangothu, Imran Khan, Srinivasa Reddy Munnangi, Thomas S.S.Raju K., Hari Babu Bollikolla

Research output: Contribution to journalArticle

7 Citations (Scopus)

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 (ρ) 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.

Original languageEnglish
Pages (from-to)286-295
Number of pages10
JournalJournal of Molecular Liquids
Volume251
DOIs
Publication statusPublished - Feb 1 2018

Keywords

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

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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