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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Elsevier B.V.
2017
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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/ |
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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/ |
| _version_ |
1738656062929633280 |
| score |
13.250246 |