This study aims to use perturbed-chain statistical associating fluid theory (PC-SAFT) to describe the phase behavior of systems containing deep eutectic solvents (DESs) and ionic liquids (ILs). The DESs are based on tetrabutylammonium chloride and tetrabutylammonium bromide as hydrogen bond acceptors, and levulinic acid and diethylene glycol as hydrogen bond donors in the mole ratio of 1:2 and 1:4, respectively. Predictions of phase equilibria by PC-SAFT were compared with the results of COnductor like Screening MOdel for Real Solvents (COSMO-RS) and non-random two-liquid (NRTL). In this work, low viscosity ether- and pyridinium-based ILs [E_nPy][NTf₂] and [C_mPy][NTf₂] were used for vapor–liquid equilibrium systems, while 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide and 1-propyl-3-methylimidazolium bis{trifluoromethylsulfonyl}imide with n-heptane + thiophene and n-hexane + ethylbenzene were used in the liquid–liquid extraction, respectively. In the last part, the phase behavior of the mixtures of perfluoroalkylalkanes with their linear alkane counterparts was studied and compared with the SAFT-Mie pair potential.

中文翻译：

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使用扰动链统计关联流体理论状态方程模拟深共晶溶剂和离子液体的汽液平衡和液液萃取。第二部分

本研究旨在使用扰动链统计关联流体理论 (PC-SAFT) 来描述含有深共晶溶剂 (DES) 和离子液体 (ILs) 的系统的相行为。DES基于四丁基氯化铵和四丁基溴化铵作为氢键受体，乙酰丙酸和二甘醇作为氢键供体，摩尔比分别为1:2和1:4。将 PC-SAFT 对相平衡的预测与实际溶剂筛选模型 (COSMO-RS) 和非随机二液 (NRTL) 等导体的结果进行了比较。在这项工作中，基于低粘度醚和吡啶鎓的 IL [E _n Py][NTf ₂ ] 和 [C _m Py][NTf ₂] 用于汽液平衡系统，而 1-(2-甲氧基乙基)-1-甲基吡咯烷双(三氟甲基磺酰基)-酰胺和 1-丙基-3-甲基咪唑双{三氟甲基磺酰基}亚胺与正庚烷 + 噻吩和 n-己烷+乙苯分别用于液-液萃取。在最后一部分，研究了全氟烷基烷烃与其直链烷烃混合物的相行为，并与 SAFT-Mie 对势进行了比较。