TY - JOUR
T1 - Effect of the Alkyl Chain Length of the Cation on the Interactions between Water and Ammonium-Based Ionic Liquids
T2 - Experimental and COSMO-RS Studies
AU - Govinda, Varadhi
AU - Vasantha, T.
AU - Khan, Imran
AU - Venkatesu, Pannuru
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2015/9/16
Y1 - 2015/9/16
N2 - To improve the understanding of the molecular interactions of water with tetraalkyl ammonium-based ionic liquids (ILs) such as tetramethylammonium hydroxide, tetraethylammonium hydroxide, tetrapropylammonium hydroxide, and tetrabutylammonium hydroxide, thermophysical properties such as density (ρ), speed of sound (u), viscosity (n) and refractive index (nD) were measured and a computational study using COSMO-RS was performed. The derived properties such as excess volumes (VE), deviation in isentropic compressibilities (Δκs), deviation in viscosities (Δ), and deviation in refractive indices (ΔnD) under the same experimental conditions for these systems were also estimated. The observed VE and Δκs values are negative over the entire composition of ILs at all investigated temperatures, whereas Δ and ΔnD values are positive under the same experimental conditions. These results reveal that the ammonium-based ILs significantly affect the intermolecular interactions between the solvent molecules. The computational study allows a qualitative analysis of the results in terms of the ion-dipole interactions, ion-pair formation, and hydrogen bonding between ammonium-based ILs and water.
AB - To improve the understanding of the molecular interactions of water with tetraalkyl ammonium-based ionic liquids (ILs) such as tetramethylammonium hydroxide, tetraethylammonium hydroxide, tetrapropylammonium hydroxide, and tetrabutylammonium hydroxide, thermophysical properties such as density (ρ), speed of sound (u), viscosity (n) and refractive index (nD) were measured and a computational study using COSMO-RS was performed. The derived properties such as excess volumes (VE), deviation in isentropic compressibilities (Δκs), deviation in viscosities (Δ), and deviation in refractive indices (ΔnD) under the same experimental conditions for these systems were also estimated. The observed VE and Δκs values are negative over the entire composition of ILs at all investigated temperatures, whereas Δ and ΔnD values are positive under the same experimental conditions. These results reveal that the ammonium-based ILs significantly affect the intermolecular interactions between the solvent molecules. The computational study allows a qualitative analysis of the results in terms of the ion-dipole interactions, ion-pair formation, and hydrogen bonding between ammonium-based ILs and water.
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U2 - 10.1021/acs.iecr.5b01796
DO - 10.1021/acs.iecr.5b01796
M3 - Article
AN - SCOPUS:84941768778
SN - 0888-5885
VL - 54
SP - 9013
EP - 9026
JO - Industrial and Engineering Chemistry Research
JF - Industrial and Engineering Chemistry Research
IS - 36
ER -