Desulfurization of Fuel Using Ionic Liquids: Computational Selection of Cation and Anion

M. Zulhaziman M. Salleh; Cecilia Devi Wilfred; Mohamad Ibrahim Abdul Mutalib

doi:10.4028/www.scientific.net/AMM.625.118

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vol. 625Desulfurization of Fuel Using Ionic Liquids:...

Desulfurization of Fuel Using Ionic Liquids: Computational Selection of Cation and Anion

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.

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Applied Mechanics and Materials (Volume 625)

Pages:

118-122

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.625.118

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Online since:

September 2014

Authors:

M. Zulhaziman M. Salleh*, Cecilia Devi Wilfred, Mohamad Ibrahim Abdul Mutalib

Keywords:

COSMO-RS, Desulfurization, Imidazolium, Ionic Liquid (IL), Quinolinium

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