Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture

The relative volatilities of cyclohexane (Cy) to benzene (Bz) in the presence of eight task-specific imidazolium thiocyanate ionic liquids (ILs) were measured using headspace gas chromatography. The ILs contain nitrile, ally, benzyl and hydroxyl functional group in their imidazolium cations and thio...

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Main Authors: Gonfa, G., Bustam, M.A., Muhammad, N., Ullah, S.
Format: Article
Institution: Universiti Teknologi Petronas
Record Id / ISBN-0: utp-eprints.19452 /
Published: Elsevier B.V. 2017
Online Access: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85018769770&doi=10.1016%2fj.molliq.2017.05.007&partnerID=40&md5=1c8a4075475af0cb2dfc69a8ed9ad819
http://eprints.utp.edu.my/19452/
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spelling utp-eprints.194522018-04-20T05:57:47Z Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture Gonfa, G. Bustam, M.A. Muhammad, N. Ullah, S. The relative volatilities of cyclohexane (Cy) to benzene (Bz) in the presence of eight task-specific imidazolium thiocyanate ionic liquids (ILs) were measured using headspace gas chromatography. The ILs contain nitrile, ally, benzyl and hydroxyl functional group in their imidazolium cations and thiocyanate as anion. The effects of incorporation of nitrile, allyl, benzyl and hydroxyl functional groups in imidazolium alkyl chain on the relative volatility of Cy to Bz were investigated using experiment and quantum calculations. COSMO-RS model was used to study the polarity (charge distribution) of the ILs and the solutes. Density functional theory (DFT) was employed to investigate the cation-anion interaction energies and IL-Bz/Cy binding energies. The structural variations of the imidazolium cation influence the performance of the ILs. Moreover, the performances of the ILs were compared with two typical conventional entrainers, dimethyl sulfoxide (DMSO) and N,N-dimethylformamide (DMF). Except two hydroxyl containing ILs, the remaining six ILs show higher Cy to Bz relative volatility values compared to the bench marked conventional solvents. © 2017 Elsevier B.V. 2017 Article PeerReviewed https://www.scopus.com/inward/record.uri?eid=2-s2.0-85018769770&doi=10.1016%2fj.molliq.2017.05.007&partnerID=40&md5=1c8a4075475af0cb2dfc69a8ed9ad819 Gonfa, G. and Bustam, M.A. and Muhammad, N. and Ullah, S. (2017) Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture. Journal of Molecular Liquids, 238 . pp. 208-214. http://eprints.utp.edu.my/19452/
institution Universiti Teknologi Petronas
collection UTP Institutional Repository
description The relative volatilities of cyclohexane (Cy) to benzene (Bz) in the presence of eight task-specific imidazolium thiocyanate ionic liquids (ILs) were measured using headspace gas chromatography. The ILs contain nitrile, ally, benzyl and hydroxyl functional group in their imidazolium cations and thiocyanate as anion. The effects of incorporation of nitrile, allyl, benzyl and hydroxyl functional groups in imidazolium alkyl chain on the relative volatility of Cy to Bz were investigated using experiment and quantum calculations. COSMO-RS model was used to study the polarity (charge distribution) of the ILs and the solutes. Density functional theory (DFT) was employed to investigate the cation-anion interaction energies and IL-Bz/Cy binding energies. The structural variations of the imidazolium cation influence the performance of the ILs. Moreover, the performances of the ILs were compared with two typical conventional entrainers, dimethyl sulfoxide (DMSO) and N,N-dimethylformamide (DMF). Except two hydroxyl containing ILs, the remaining six ILs show higher Cy to Bz relative volatility values compared to the bench marked conventional solvents. © 2017
format Article
author Gonfa, G.
Bustam, M.A.
Muhammad, N.
Ullah, S.
spellingShingle Gonfa, G.
Bustam, M.A.
Muhammad, N.
Ullah, S.
Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
author_sort Gonfa, G.
title Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
title_short Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
title_full Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
title_fullStr Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
title_full_unstemmed Effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
title_sort effect of task specific thiocyanate based ionic liquids on relative volatility of cyclohexane and benzene azeotropic mixture
publisher Elsevier B.V.
publishDate 2017
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85018769770&doi=10.1016%2fj.molliq.2017.05.007&partnerID=40&md5=1c8a4075475af0cb2dfc69a8ed9ad819
http://eprints.utp.edu.my/19452/
_version_ 1741196208963059712
score 11.62408

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