Extractive desulfurization of liquid fuel by using a green, neutral and task specific phosphonium ionic liquid with glyceryl moiety: A joint experimental and computational study

[Display omitted] •Phosphonium ionic liquids (PIL) containing two functional groups were synthesized.•The prepared PILs show good extraction desulfurization efficiencies from liquid fuel.•PIL with two alcoholic moieties is recommended for extractive desulfurization. A phosphonium ionic liquid with g...

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Bibliographic Details
Published in:Fuel (Guildford) 2017-11, Vol.208, p.214-222
Main Authors: Moghadam, Fatemeh Rafiei, Azizian, Saeid, Bayat, Mehdi, Yarie, Meysam, Kianpour, Effat, Zolfigol, Mohammad Ali
Format: Article
Language:English
Subjects:
Chemical elements
Computation
Computer applications
Design for recycling
Desulfurization
Desulfurizing
DFT
Dibenzothiophene
EDA
Extractants
Extraction
Extraction processes
Fuel
Fuels
Ionic liquid
Ionic liquids
Liquid fuels
NBO
Phosphonium
Recyclability
Recycling
Studies
Sulfur
Sulfur compounds
Synthesis
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Summary:[Display omitted] •Phosphonium ionic liquids (PIL) containing two functional groups were synthesized.•The prepared PILs show good extraction desulfurization efficiencies from liquid fuel.•PIL with two alcoholic moieties is recommended for extractive desulfurization. A phosphonium ionic liquid with glyceryl moiety was synthesized and used as an efficient extractant in the removal of sulfur compounds from a model liquid fuel. The effects of different parameters such as volume ratio, time, initial concentration, temperature and type of sulfur compound on the desulfurization efficiency were investigated. The reusability and the recyclability of the described ionic liquid in the extractive desulfurization were also studied. For comparison, another ionic liquid with two acidic moieties was synthesized and used in the extractive desulfurization. To understand the mechanism of the extractive desulfurization by the phosphonium ionic liquid, a computational study consisting of structural investigations, interaction energy, NBO, AIM and EDA analysis on the type and nature of the interaction between dibenzothiophene (DBT) and the prepared ionic liquid was also performed. The obtained results of this research support the idea of rational design, synthesis and application of the task specific extractants for the green desulfurization of liquid fuels.
ISSN:0016-2361
1873-7153
DOI:10.1016/j.fuel.2017.07.025