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Title

EXTRACTION OF ORGANIC SULFUR COMPOUNDS FROM HYDROCARBONS BY IONIC LIQUIDS: A QUANTUM CHEMICAL STUDY

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Abstract

 INTRODUCTION: IONIC LIQUIDS (ILS) ARE ORGANIC SALTS WITH MELTING POINTS AROUND OR BELOW AMBIENT TEMPERATURE.RECENTLY, DUE TO THEIR UNIQUE CHEMICAL AND PHYSICAL PROPERTIES, SUCH AS NEGLIGIBLE VAPOR PRESSURE, HIGH CHEMICAL AND THERMAL STABILITIES, AND ABILITY TO DISSOLVE A WIDE RANGE OF ORGANIC AND INORGANIC COMPOUNDS, VARIOUS IONIC LIQUIDS (ILS) HAVE BEEN USED AS EXTRACTING AGENT FOR THE REMOVAL OF ORGANIC SULFUR COMPOUNDS FROM THE HYDROCARBON FUELS [1, 2]. THE EXTRACTIVE DESULFURIZATION PROCESS USING IONIC LIQUIDS CAN BE A COMPLEMENTARY TECHNOLOGY FOR THE HDS PROCESS, AND SOME STUDIED WORK HAS BEEN REPORTED TO DATE [3-7]. THESE STUDIES INDICATED THAT THE ILS HAVE HIGH EXTRACTION RATIOS AND GREATER SELECTIVITY COMPARED TO MOLECULAR SOLVENTS SUCH AS SULFOLANE. IN THIS WORK, THE INTERACTION OF THIOPHENE AND ETHYLMERCAPTAN WITH 1-ETHYL-3-METHYLIMIDAZOLIUM – BASED ILS ([EMIM]+) WITH DIFFERENT ANIONS WAS INVESTIGATED USING EXTENSIVE QUANTUM CHEMICALAB INITIO CALCULATIONS. THE RESULTS OF THEORETICAL AB INITIOCALCULATIONS ARE COMPARED WITH RELIABLE EXPERIMENTAL DATA REPORTED IN THE LITERATURE.

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