TY - JOUR
T1 - Elucidation of molecular interactions between ionic liquid [Emim][triflate] with 2-methoxyethanol & N-methylpyrrolidone
T2 - Experimental and COSMO-RS studies
AU - Aangothu, Sreenivasa Rao
AU - Khan, Imran
AU - Munnangi, Srinivasa Reddy
AU - K., Thomas S.S.Raju
AU - Bollikolla, Hari Babu
N1 - Publisher Copyright:
© 2017
PY - 2018/2
Y1 - 2018/2
N2 - 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.
AB - 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.
KW - 2-Methoxyethanol
KW - Excess thermodynamic parameters
KW - N-Methylpyrrolidone
KW - PFP theory, COSMO-RS
KW - [Emim][triflate]
UR - http://www.scopus.com/inward/record.url?scp=85038814957&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85038814957&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2017.12.017
DO - 10.1016/j.molliq.2017.12.017
M3 - Article
AN - SCOPUS:85038814957
SN - 0167-7322
VL - 251
SP - 286
EP - 295
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
ER -