{"title":"Desulfurization and denitrogenation of a synthesized gasoline utilizing an acidic deep eutectic solvent: Experimental and thermodynamic studies","authors":"Leila Zarin , Javad Saien , Dara Dastan , Farnaz Jafari","doi":"10.1016/j.molliq.2025.127197","DOIUrl":null,"url":null,"abstract":"<div><div>Deep eutectic solvents (DESs) exhibit outstanding properties for separating sulfur and nitrogen heteroatom compounds from fuels. This study investigates the application of a benign DES in desulfurization and denitrogenation of a synthetic gasoline, made up of hexane, heptane and isooctane. The utilized acidic DES was comprised of methyltriphenylphosphonium bromide and <em>para</em>-toluensolfonic acid, molar ratio of 3:7. It was characterized by IR analysis as well as the melting point, density, and viscosity properties. The heteroatom compounds were thiophene and pyridine as the S and N representative solutes. The liquid–liquid equilibrium of each system was properly studied at different temperatures of 298.2, 308.2, and 318.2 K. The important parameters of the solute distribution coefficient and the separation factor were found within the high levels of (0.2188–1.2082) and (11.74–662.15) for thiophene, and (6.7176–15.9950) and (8061.37–11066.20) for pyridine; revealing the high potential of the DES compared to other solvents. The NRTL and UNIQUAC thermodynamic models were employed to replicate the tie-lines and to ascertain the interaction parameters. Accordingly, an approach based on group contribution calculations was used to determine the DES thermodynamic parameters. This study highlights the importance of selecting new generation of solvents in purifying fuels.</div></div>","PeriodicalId":371,"journal":{"name":"Journal of Molecular Liquids","volume":"425 ","pages":"Article 127197"},"PeriodicalIF":5.3000,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Liquids","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0167732225003630","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Deep eutectic solvents (DESs) exhibit outstanding properties for separating sulfur and nitrogen heteroatom compounds from fuels. This study investigates the application of a benign DES in desulfurization and denitrogenation of a synthetic gasoline, made up of hexane, heptane and isooctane. The utilized acidic DES was comprised of methyltriphenylphosphonium bromide and para-toluensolfonic acid, molar ratio of 3:7. It was characterized by IR analysis as well as the melting point, density, and viscosity properties. The heteroatom compounds were thiophene and pyridine as the S and N representative solutes. The liquid–liquid equilibrium of each system was properly studied at different temperatures of 298.2, 308.2, and 318.2 K. The important parameters of the solute distribution coefficient and the separation factor were found within the high levels of (0.2188–1.2082) and (11.74–662.15) for thiophene, and (6.7176–15.9950) and (8061.37–11066.20) for pyridine; revealing the high potential of the DES compared to other solvents. The NRTL and UNIQUAC thermodynamic models were employed to replicate the tie-lines and to ascertain the interaction parameters. Accordingly, an approach based on group contribution calculations was used to determine the DES thermodynamic parameters. This study highlights the importance of selecting new generation of solvents in purifying fuels.
期刊介绍:
The journal includes papers in the following areas:
– Simple organic liquids and mixtures
– Ionic liquids
– Surfactant solutions (including micelles and vesicles) and liquid interfaces
– Colloidal solutions and nanoparticles
– Thermotropic and lyotropic liquid crystals
– Ferrofluids
– Water, aqueous solutions and other hydrogen-bonded liquids
– Lubricants, polymer solutions and melts
– Molten metals and salts
– Phase transitions and critical phenomena in liquids and confined fluids
– Self assembly in complex liquids.– Biomolecules in solution
The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include:
– Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.)
– Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.)
– Light scattering (Rayleigh, Brillouin, PCS, etc.)
– Dielectric relaxation
– X-ray and neutron scattering and diffraction.
Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.