Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids

In the present work, a new series of DBU based protic ionic liquids has been synthesized. The anions were generated from acetic acid, trifluoro acetic acid, methane sulfonic acid and trifluoro methanesulfonic acid. The obtained DBUAc, DBUTfa, DBUMsa and DBUTfmsa ionic liquids were characterized by 1...

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Main Authors: Losetty, V., Matheswaran, P., Wilfred, C.D.
Format: Article
Institution: Universiti Teknologi Petronas
Record Id / ISBN-0: utp-eprints.19625 /
Published: Academic Press 2017
Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-84992694368&doi=10.1016%2fj.jct.2016.10.021&partnerID=40&md5=128594d96c0ca098c4d9750c7d0bf299
http://eprints.utp.edu.my/19625/
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spelling utp-eprints.196252018-04-20T07:18:38Z Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids Losetty, V. Matheswaran, P. Wilfred, C.D. In the present work, a new series of DBU based protic ionic liquids has been synthesized. The anions were generated from acetic acid, trifluoro acetic acid, methane sulfonic acid and trifluoro methanesulfonic acid. The obtained DBUAc, DBUTfa, DBUMsa and DBUTfmsa ionic liquids were characterized by 1H NMR and 13C NMR. The neat ILs were used to determine thermophysical properties namely density (ρ), viscosity (η) surface tension (γ) at various temperature ranges and atmospheric pressure (0.1 MPa). The experimental density and viscosity values were correlated using the linear and Vogel-Tammann-Fulcher (VTF) equations, respectively. Furthermore, thermal expansion coefficient (α) molar volume (Vm), thermodynamic surface properties and critical temperatures were estimated from experimental results. The lattice potential energy (UPOT) of the ILs was calculated to estimate the strength of ionic interactions between ions. In addition, the effect of water content on experimental results was measured and also estimated. The theoretical model namely COSMO-RS was used to study the ionic interactions in synthesized ionic liquids. Finally, the experimental and calculated results were discussed to understand the effect of temperature and moiety of ionic liquid on the thermophysical properties studied. © 2016 Academic Press 2017 Article PeerReviewed https://www.scopus.com/inward/record.uri?eid=2-s2.0-84992694368&doi=10.1016%2fj.jct.2016.10.021&partnerID=40&md5=128594d96c0ca098c4d9750c7d0bf299 Losetty, V. and Matheswaran, P. and Wilfred, C.D. (2017) Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids. Journal of Chemical Thermodynamics, 105 . pp. 151-158. http://eprints.utp.edu.my/19625/
institution Universiti Teknologi Petronas
collection UTP Institutional Repository
description In the present work, a new series of DBU based protic ionic liquids has been synthesized. The anions were generated from acetic acid, trifluoro acetic acid, methane sulfonic acid and trifluoro methanesulfonic acid. The obtained DBUAc, DBUTfa, DBUMsa and DBUTfmsa ionic liquids were characterized by 1H NMR and 13C NMR. The neat ILs were used to determine thermophysical properties namely density (ρ), viscosity (η) surface tension (γ) at various temperature ranges and atmospheric pressure (0.1 MPa). The experimental density and viscosity values were correlated using the linear and Vogel-Tammann-Fulcher (VTF) equations, respectively. Furthermore, thermal expansion coefficient (α) molar volume (Vm), thermodynamic surface properties and critical temperatures were estimated from experimental results. The lattice potential energy (UPOT) of the ILs was calculated to estimate the strength of ionic interactions between ions. In addition, the effect of water content on experimental results was measured and also estimated. The theoretical model namely COSMO-RS was used to study the ionic interactions in synthesized ionic liquids. Finally, the experimental and calculated results were discussed to understand the effect of temperature and moiety of ionic liquid on the thermophysical properties studied. © 2016
format Article
author Losetty, V.
Matheswaran, P.
Wilfred, C.D.
spellingShingle Losetty, V.
Matheswaran, P.
Wilfred, C.D.
Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids
author_sort Losetty, V.
title Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids
title_short Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids
title_full Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids
title_fullStr Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids
title_full_unstemmed Synthesis, thermophysical properties and COSMO-RS study of DBU based protic ionic liquids
title_sort synthesis, thermophysical properties and cosmo-rs study of dbu based protic ionic liquids
publisher Academic Press
publishDate 2017
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-84992694368&doi=10.1016%2fj.jct.2016.10.021&partnerID=40&md5=128594d96c0ca098c4d9750c7d0bf299
http://eprints.utp.edu.my/19625/
_version_ 1741196236934873088
score 11.62408

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