Desulfurization and denitrogenation of a synthesized gasoline utilizing an acidic deep eutectic solvent: Experimental and thermodynamic studies

IF 5.2 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-05-01 Epub Date: 2025-02-21 DOI:10.1016/j.molliq.2025.127197
Leila Zarin , Javad Saien , Dara Dastan , Farnaz Jafari
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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.

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用酸性深共熔溶剂合成汽油的脱硫和脱氮:实验和热力学研究
深共晶溶剂(DESs)在从燃料中分离硫、氮杂原子化合物方面表现出优异的性能。研究了良性DES在正己烷、庚烷和异辛烷合成汽油脱硫脱氮中的应用。所利用的酸性DES由甲基三苯基溴化磷和对甲苯磺酸组成,摩尔比为3:7。通过红外光谱分析以及熔点、密度和粘度特性对其进行了表征。杂原子化合物以噻吩和吡啶为S和N代表溶质。在298.2,308.2和318.2 K的不同温度下,对每个体系的液-液平衡进行了适当的研究。噻吩的溶质分布系数和分离系数分别为0.2188 ~ 1.2082和11.74 ~ 662.15,吡啶的溶质分布系数和分离系数分别为6.7176 ~ 15.9950和8061.37 ~ 11066.20;与其他溶剂相比,揭示了DES的高潜力。采用NRTL和UNIQUAC热力学模型对联络线进行了模拟,并确定了相互作用参数。因此,采用基于基团贡献计算的方法来确定DES的热力学参数。本研究强调了新一代溶剂在净化燃料中选择的重要性。
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
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.
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