Extraction of benzothiazole and thiophene from their mixtures with n-heptane using tetrahexylammonium bromide-based deep eutectic solvents as extractive denitrogenation and desulfurization agents
Extraction of benzothiazole and thiophene from their mixtures with n-heptane using tetrahexylammonium bromide-based deep eutectic solvents as extractive denitrogenation and desulfurization agents
复制标题
DOI：
10.1016/j.fluid.2018.07.023
复制
发表时间：
2018-12-15
影响因子：
2.6
通讯作者：
Kroon, Maaike C.
中科院分区：
文献类型：
--
作者：
Alli, Ruth D.;Kroon, Maaike C.
本文首次研究了低共熔溶剂（DESs）液-液萃取硫氮化合物的过程。采用两种四己基溴化铵型离子交换树脂从正庚烷中分离出苯并噻唑（含硫和氮）和噻吩（仅含硫）。在298 K和常压下测定了苯并噻唑和噻吩在DES及其组分中的溶解度数据。在常压、298 K下测定了正庚烷+苯并噻唑/噻吩+ DES 1/DES 2四个体系的准三元液液平衡数据。对伪三元体系的考虑得到了验证，表明在摘要中没有DES的组分出现在萃余液相中。苯并噻唑和噻吩从它们的混合物中选择性地提取与正庚烷，但苯并噻唑表现出更高的亲和力，对两个DES比噻吩由于氮的存在下，在苯并噻唑。根据实验数据，计算了苯并噻唑和噻吩的选择性和分配比。这些计算值能够显示DES用于脱硫和脱氮的效力。为了验证实验数据，使用白杨Plus将平衡数据与NRTL模型关联。模拟结果与实验结果有很强的相关性。(C)2018 Elsevier B. V.版权所有。
The liquid-liquid extraction of a sulfur-nitrogen compound using deep eutectic solvents (DESs) was studied for the first time in this work. Benzothiazole (which contains both nitrogen and sulfur) and thiophene (which only contains sulfur) were separated from n-heptane using two tetrahexylammonium bromide-based DESs. Solubility data for benzothiazole and thiophene in the DESs and the DESs' constituents were determined at 298 K and atmospheric pressure. Subsequently, pseudo-ternary LLE data for the four systems (n-heptane + benzothiazole/thiophene + DES 1/DES 2) were determined at atmospheric pressure and a temperature of 298 K. The consideration of a pseudo-ternary system was validated showing that none of the DES' constituents appears in the raffinate phase' in the abstract. Both benzothiazole and thiophene were selectively extracted from their mixtures with n-heptane, but benzothiazole showed even higher affinity towards both DESs than thiophene due to the presence of nitrogen in benzothiazole. From the results derived from the experimental data, the selectivities and distribution ratios of benzothiazole and thiophene were calculated. These calculated values were able to show the potency of the DESs for both desulfurization and denitrogenation. In order to validate the experimental data, the equilibrium data were correlated with the NRTL model using ASPEN Plus. The modeled results showed a strong correlation with the experimental results. (C) 2018 Elsevier B.V. All rights reserved.