eprintid: 4686 rev_number: 2 eprint_status: archive userid: 1 dir: disk0/00/00/46/86 datestamp: 2023-11-09 16:16:23 lastmod: 2023-11-09 16:16:23 status_changed: 2023-11-09 15:59:08 type: article metadata_visibility: show creators_name: Salleh, M.Z.M. creators_name: Wilfred, C.D. creators_name: Abdul Mutalib, M.I. title: Desulfurization of fuel using ionic liquids: Computational selection of cation and anion ispublished: pub keywords: Desulfurization; Liquids; Negative ions; Positive ions, COSMO-RS; Dibenzothiophenes; Dicyanamide; Dodecane; Imidazolium; Infinite dilution; Nitrile groups; Quinolinium, Ionic liquids note: cited By 1; Conference of 3rd International Conference on Process Engineering and Advanced Materials, ICPEAM 2014 ; Conference Date: 3 June 2014 Through 5 June 2014; Conference Code:114811 abstract: 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. date: 2014 publisher: Trans Tech Publications Ltd official_url: 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 id_number: 10.4028/www.scientific.net/AMM.625.118 full_text_status: none publication: Applied Mechanics and Materials volume: 625 pagerange: 118-122 refereed: TRUE isbn: 9783038351818 issn: 16609336 citation: 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. ISSN 16609336