Extractive desulfurization of fuel oils using deep eutectic solvents – A comprehensive review

Uncovering the Critical Factors that Enable Extractive Desulfurization of Fuels in Ionic Liquids and Deep Eutectic Solvents from Simulations

“…The excess chemical potential calculations carried out for the two DESs composed of ChCl and ethylene glycol or glycerol, i.e., CCEtg and CCGly (Scheme ), were less favorable by 1–3 kcal/mol compared to the ILs examined (Tables –). Despite this finding, DESs still possess incredible potential as sulfur-compound extractants − and were investigated in detail here at the atomic level using MD simulations. RDF plots were first analyzed between the S-atom of the TS, DBT, and MDBT molecules and the two chemically unique hydrogen atom types (Hc and Ho) from Etg (Figure and Table ).…”

“… For example, an extremely popular DES called reline is composed of choline chloride (ChCl) and urea in a molar ratio of 1:2 that results in a melting point of 12 °C, which is significantly lower than that of ChCl (302 °C) and urea (133 °C) individually. , In 2013, the Li group recognized that DESs can provide strong hydrogen bonding as a driving force in the EDS process and reported the first work incorporating DESs in fuel desulfurization . Similar to ILs, experimental desulfurization studies using DESs have centered on LLE data of mixtures, the synthesis of new DESs, and measurements of relevant extraction properties. − …”

Desulfurization of Diesel Using Ionic Liquids: Process Design and Optimization Using COSMO-Based Models and Aspen Plus

“…DESs share similarities with ILs but have some notable advantages, including easy synthesis, low toxicity, and low cost. However, DESs have shown lower desulfurization efficiency compared to ILs. , PEG has also been studied for desulfurization but has limited use due to its lower efficiency and selectivity, particularly for high-molecular-weight sulfur compounds like dibenzothiophene (DBT) . Although PEG has advantages such as low toxicity, low cost, and ease of synthesis compared to ILs, ILs remain the preferred choice due to their superior desulfurization performance.…”

Thymol+l-menthol eutectic mixtures: Thermophysical properties and possible applications as decontaminants

“…The latter are especially interesting due to their low toxicity. Other properties can be mentioned, according to the green chemistry principles, such as their nonflammability and nonvolatility and their easy, cheap and lack of waste preparation; thus, DESs are being used in various applications [9][10][11][12][13][14][15][16][17]. Among other factors, the depression in T m is a consequence of the capability of the components to form hydrogen bonds.…”