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Desulfurization of fuel using ionic liquids: Computational selection of cation and anion

Selection of potential ionic liquid (IL) is carried out in this work using COSMO-RS by analyzing the interaction between dibenzothiophene (DBT) and IL in dodecane. Sigma profile, capacity and selectivity at infinite dilution were used to predict the suitable ILs in desulfurization. Result shows that...

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Main Authors: Salleh, M.Z.M., Wilfred, C.D., Abdul Mutalib, M.I.
Format: Article
Published: Trans Tech Publications Ltd 2014
Online Access:http://scholars.utp.edu.my/id/eprint/31880/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84914169826&doi=10.4028%2fwww.scientific.net%2fAMM.625.118&partnerID=40&md5=437c37dfe6fa347b8651abf440fd409a
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spelling oai:scholars.utp.edu.my:318802023-01-04T01:58:44Z http://scholars.utp.edu.my/id/eprint/31880/ Desulfurization of fuel using ionic liquids: Computational selection of cation and anion Salleh, M.Z.M. Wilfred, C.D. Abdul Mutalib, M.I. Selection of potential ionic liquid (IL) is carried out in this work using COSMO-RS by analyzing the interaction between dibenzothiophene (DBT) and IL in dodecane. Sigma profile, capacity and selectivity at infinite dilution were used to predict the suitable ILs in desulfurization. Result shows that increasing alkyl length and incorporating nitrile group will increase the capacity and selectivity respectively. 1-butyl-6-methylquinolonium C4mquin+, 1-butyl-3- methylimidazolium Bmim+, thiocyanate SCN- and dicyanamide N(CN)2- are potentially good cations and anions. © 2014 Trans Tech Publications, Switzerland. Trans Tech Publications Ltd 2014 Article NonPeerReviewed Salleh, M.Z.M. and Wilfred, C.D. and Abdul Mutalib, M.I. (2014) Desulfurization of fuel using ionic liquids: Computational selection of cation and anion. Applied Mechanics and Materials, 625. pp. 118-122. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84914169826&doi=10.4028%2fwww.scientific.net%2fAMM.625.118&partnerID=40&md5=437c37dfe6fa347b8651abf440fd409a
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 Selection of potential ionic liquid (IL) is carried out in this work using COSMO-RS by analyzing the interaction between dibenzothiophene (DBT) and IL in dodecane. Sigma profile, capacity and selectivity at infinite dilution were used to predict the suitable ILs in desulfurization. Result shows that increasing alkyl length and incorporating nitrile group will increase the capacity and selectivity respectively. 1-butyl-6-methylquinolonium C4mquin+, 1-butyl-3- methylimidazolium Bmim+, thiocyanate SCN- and dicyanamide N(CN)2- are potentially good cations and anions. © 2014 Trans Tech Publications, Switzerland.
format Article
author Salleh, M.Z.M.
Wilfred, C.D.
Abdul Mutalib, M.I.
spellingShingle Salleh, M.Z.M.
Wilfred, C.D.
Abdul Mutalib, M.I.
Desulfurization of fuel using ionic liquids: Computational selection of cation and anion
author_facet Salleh, M.Z.M.
Wilfred, C.D.
Abdul Mutalib, M.I.
author_sort Salleh, M.Z.M.
title Desulfurization of fuel using ionic liquids: Computational selection of cation and anion
title_short Desulfurization of fuel using ionic liquids: Computational selection of cation and anion
title_full Desulfurization of fuel using ionic liquids: Computational selection of cation and anion
title_fullStr Desulfurization of fuel using ionic liquids: Computational selection of cation and anion
title_full_unstemmed Desulfurization of fuel using ionic liquids: Computational selection of cation and anion
title_sort desulfurization of fuel using ionic liquids: computational selection of cation and anion
publisher Trans Tech Publications Ltd
publishDate 2014
url http://scholars.utp.edu.my/id/eprint/31880/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84914169826&doi=10.4028%2fwww.scientific.net%2fAMM.625.118&partnerID=40&md5=437c37dfe6fa347b8651abf440fd409a
_version_ 1754532120052629504
score 13.214268

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