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

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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

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Official URL: https://www.scopus.com/inward/record.uri?eid=2-s2....

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. Â© 2014 Trans Tech Publications, Switzerland.

Item Type:	Article
Additional Information:	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
Uncontrolled Keywords:	Desulfurization; Liquids; Negative ions; Positive ions, COSMO-RS; Dibenzothiophenes; Dicyanamide; Dodecane; Imidazolium; Infinite dilution; Nitrile groups; Quinolinium, Ionic liquids
Depositing User:	Mr Ahmad Suhairi UTP
Date Deposited:	09 Nov 2023 16:16
Last Modified:	09 Nov 2023 16:16
URI:	https://khub.utp.edu.my/scholars/id/eprint/4686

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