Effect of the Type of Ammonium Salt on the Extractive Desulfurization of Fuels Using Deep Eutectic Solvents,Journal of Chemical & Engineering Data

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Effect of the Type of Ammonium Salt on the Extractive Desulfurization of Fuels Using Deep Eutectic Solvents
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2018-03-15 00:00:00 , DOI: 10.1021/acs.jced.7b00832
Samah E. E. Warrag _{1,

2} , Idowu Adeyemi ₃ , Nerea R. Rodriguez ₂ , Inas M. Nashef ₃ , Martin van Sint Annaland ₂ , Maaike C. Kroon ₁ , Cor J. Peters _{1,

4}

Affiliation

In a previous work, we proved that the deep eutectic solvents (DESs) consisting of mixtures of tetraalkylammonium salts with polyols are promising candidates for oil desulfurization based on the obtained liquid–liquid equilibrium (LLE) data. In this study, the capability of DESs containing other salts (e.g., different alkyl chain lengths or different functional groups on the ammonium cation) for the extraction of thiophene from {n-hexane + thiophene} mixtures via LLE was evaluated. Therefore, four DESs composed of tetraethylammonium chloride or methyltriphenylphosphonium bromide as hydrogen bond acceptors and ethylene glycol or glycerol as hydrogen bond donors were prepared. Thereafter, the binary solubilities of the aliphatic hydrocarbon (n-hexane) and the thiophene in DESs were measured at 298.2 K and atmospheric pressure. Next, ternary liquid–liquid equilibrium (LLE) data for the four ternary systems {n-hexane + thiophene + DES} were measured at 298.2 K and atmospheric pressure. The conductor-like screening model for real solvents (COSMO-RS) was used to better understand the extraction mechanism of thiophene. Experimentally obtained solute distribution coefficients and selectivities were calculated and compared to relevant literature. All DESs were found to be good candidates for extractive desulfurization with higher selectivities but somewhat lower distribution coefficients as compared to conventional ionic liquids. It was found that longer alkyl chain lengths on the cation yield higher distribution coefficients but lower selectivities, and the replacement of an alkyl group by a phenyl group on the cation generally yields lower distribution ratios ratios but higher selectivities.

中文翻译：

铵盐类型对使用深共熔溶剂萃取脱硫的影响

在先前的工作中，我们基于所获得的液-液平衡（LLE）数据证明，由四烷基铵盐和多元醇的混合物组成的深共熔溶剂（DES）是有希望进行油脱硫的候选材料。在这项研究中，将含有用于从噻吩{提取其它盐（例如，不同的烷基链的长度或不同的官能团上的铵阳离子）DESS的能力Ñ正己烷+噻吩}混合物通过LLE进行评价。因此，制备了四种由四乙基氯化铵或溴化甲基三苯基phosph作为氢键受体和乙二醇或甘油作为氢键供体的DES。此后，脂族烃的二元溶解度（n在298.2 K和大气压下测量DES中的噻吩和噻吩。接下来，四个三元系统的三元液-液平衡（LLE）数据{ n在298.2K和大气压下测量-己烷+噻吩+ DES}。使用真实导体的类似导体的筛选模型（COSMO-RS）可以更好地了解噻吩的提取机理。计算获得的实验溶质分布系数和选择性，并与相关文献进行比较。与常规离子液体相比，发现所有DES都是萃取脱硫的良好候选者，具有较高的选择性，但分配系数略低。已经发现，阳离子上较长的烷基链长度产生较高的分配系数，但选择性较低，并且阳离子上的苯基取代烷基取代烷基通常产生较低的分配比率比，但选择性较高。

更新日期：2018-03-16

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