Simultaneous extraction of sulfur and nitrogen compounds from model diesel fuel using deep eutectic solvents / Hurun ‘Ein Suhaimi

Hurun , ‘Ein Suhaimi (2024) Simultaneous extraction of sulfur and nitrogen compounds from model diesel fuel using deep eutectic solvents / Hurun ‘Ein Suhaimi. Masters thesis, Universiti Malaya.

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Abstract

Removal of nitrogen and sulfur compounds from diesel fuel is essential to comply with the increasing stringent regulations. Deep Eutectic Solvents (DESs) have garnered attention as promising candidates for this task due to their unique properties, such as low toxicity, tunability, and biodegradability. The primary objective of the study is to address the imperative need for the removal of nitrogen and sulfur compounds from diesel fuel. To achieve this, the study focuses on the extraction capabilities of two selected DESs, namely tetrabutylphosphonium bromide:ethylene glycol (TBPBr/EG, molar ratio 1:2) and tetrabutylammonium bromide:ethylene glycol (TBABr/EG, molar ratio 1:2). The screening of these DESs is conducted via COSMO-RS (Conductor-like Screening Model for Real Solvents), providing crucial insights into their potential performance prior experimental validation of their performance in concurrently extracting sulfur and nitrogen compounds. Two ternary phase diagrams of TBPBr/EG + (pyridine + indoline + DBT) + n-hexadecane and TBABr/EG + (pyridine + indoline + DBT) + n-hexadecane were predicted via COSMO-RS and experimentally validated via liquid-liquid equilibrium at 298.15 K and 1 atm. Compositional analysis by gas chromatography was done and validated via proton nuclear magnetic resonance. The tie lines obtained for both COSMO-RS and experiments were in agreement and has root mean square deviation (RMSD) values of less than 5% for both systems. Selectivity and distribution ratio calculated indicate the suitability of both DESs in extracting sulfur and nitrogen compounds from hexadecane. Two parameters, namely extraction efficiency α and extraction affinity β were introduced to ease the performance comparison of these two solvents. TBPBr/EG shows a slightly better performance than TBABr/EG with α ranging between 77.8% to 89.1 % whereas TBABr:EG has a range between 76.1 to 85.2%. The presence of multiple solutes shows low effects on the performance of these solvents.

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