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Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study

In this work, a series of four protic ionic liquids were synthesized by an exothermic neutralization process between N-phenyl-N-ethanolamine and stoichiometric quantity of different acids, namely, propionic acid, butyric acid, pentanoic acid and hexanoic acid. After characterization by 1H NMR and 13...

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Main Authors: Chennuri, B.K., Losetty, V., Wilfred, C.D., Gardas, R.L.
Format: Article
Published: Elsevier B.V. 2017
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85020405683&doi=10.1016%2fj.molliq.2017.06.010&partnerID=40&md5=f6b1227e9c79f75a54c8d63395132cf7
http://eprints.utp.edu.my/19387/
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spelling my.utp.eprints.193872018-04-20T00:40:45Z Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study Chennuri, B.K. Losetty, V. Wilfred, C.D. Gardas, R.L. In this work, a series of four protic ionic liquids were synthesized by an exothermic neutralization process between N-phenyl-N-ethanolamine and stoichiometric quantity of different acids, namely, propionic acid, butyric acid, pentanoic acid and hexanoic acid. After characterization by 1H NMR and 13C NMR spectroscopic methods, density (ρ), speed of sound (u), viscosity (η) and conductivity (σ) of neat ionic liquids have been measured 293.15 to 343.15 K and the refractive index (nD) was measured only at 303.15 K. The density and refractive index data were correlated by Gardas-Coutinho model and Lorentz-Lorenz mathematical equation, respectively, whereas viscosity and electrical conductivity were estimated by Vogel-Tammann-Fulcher (VTF) equation. Further experimental data used to calculate several derived thermodynamic properties such as thermal expansion coefficient (α), isentropic compressibility (βS), molar volume (Vm), standard entropy (S°), intermolecular free length (Lf), molar refraction (Rm) and free volume (fV). The decomposition temperature (Td) of synthesized ILs was investigated using TGA analysis. Finally, Conductor-like Screening Model for Real Solvents (COSMO-RS) computational method was also studied to understand the structural variations of the ionic liquids. © 2017 Elsevier B.V. Elsevier B.V. 2017 Article PeerReviewed https://www.scopus.com/inward/record.uri?eid=2-s2.0-85020405683&doi=10.1016%2fj.molliq.2017.06.010&partnerID=40&md5=f6b1227e9c79f75a54c8d63395132cf7 Chennuri, B.K. and Losetty, V. and Wilfred, C.D. and Gardas, R.L. (2017) Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study. Journal of Molecular Liquids, 241 . pp. 246-254. http://eprints.utp.edu.my/19387/
institution Universiti Teknologi Petronas
building UTP Resource Centre
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Petronas
content_source UTP Institutional Repository
url_provider http://eprints.utp.edu.my/
description In this work, a series of four protic ionic liquids were synthesized by an exothermic neutralization process between N-phenyl-N-ethanolamine and stoichiometric quantity of different acids, namely, propionic acid, butyric acid, pentanoic acid and hexanoic acid. After characterization by 1H NMR and 13C NMR spectroscopic methods, density (ρ), speed of sound (u), viscosity (η) and conductivity (σ) of neat ionic liquids have been measured 293.15 to 343.15 K and the refractive index (nD) was measured only at 303.15 K. The density and refractive index data were correlated by Gardas-Coutinho model and Lorentz-Lorenz mathematical equation, respectively, whereas viscosity and electrical conductivity were estimated by Vogel-Tammann-Fulcher (VTF) equation. Further experimental data used to calculate several derived thermodynamic properties such as thermal expansion coefficient (α), isentropic compressibility (βS), molar volume (Vm), standard entropy (S°), intermolecular free length (Lf), molar refraction (Rm) and free volume (fV). The decomposition temperature (Td) of synthesized ILs was investigated using TGA analysis. Finally, Conductor-like Screening Model for Real Solvents (COSMO-RS) computational method was also studied to understand the structural variations of the ionic liquids. © 2017 Elsevier B.V.
format Article
author Chennuri, B.K.
Losetty, V.
Wilfred, C.D.
Gardas, R.L.
spellingShingle Chennuri, B.K.
Losetty, V.
Wilfred, C.D.
Gardas, R.L.
Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study
author_facet Chennuri, B.K.
Losetty, V.
Wilfred, C.D.
Gardas, R.L.
author_sort Chennuri, B.K.
title Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study
title_short Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study
title_full Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study
title_fullStr Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study
title_full_unstemmed Thermophysical properties of N-phenyl-N-ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study
title_sort thermophysical properties of n-phenyl-n-ethanol ammonium carboxylate based ionic liquids: measurements, correlations and cosmo-rs study
publisher Elsevier B.V.
publishDate 2017
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85020405683&doi=10.1016%2fj.molliq.2017.06.010&partnerID=40&md5=f6b1227e9c79f75a54c8d63395132cf7
http://eprints.utp.edu.my/19387/
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score 13.211869

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