The liquid–liquid extraction is an important industrial separation process. It is suitable to separate components with close boiling points when common separation processes such as fractionated distillation are infeasible. The liquid–liquid equilibria of mixtures containing cyclohexane + benzene + N,N-dimethylformamide (DMF) + potassium thiocyanate (KSCN) were analyzed by experimental data obtained at 298.15 K and atmospheric pressure. The obtained experimental data presented good correlation with UNIQUAC and e-NRTL models. The effectiveness of associating KSCN to DMF was analyzed to improve the separation of aromatic and aliphatic hydrocarbons. The liquid–liquid equilibrium selectivity and distribution coefficients were evaluated, considering different KSCN proportions in the solvent. The results demonstrated that the selectivity coefficient increases as the salt mass increases in the mixture. On the other hand, the distribution coefficient decreases as the benzene concentration increases in the raffinate phase.
The class of aromatic hydrocarbons is one of the most important in the petrochemical industry. As they are in a multicomponent mixture with aliphatics, separation represents a huge challenge given the proximity of their boiling points, and liquid–liquid extraction represents a good alternative to conventional separation processes. In this paper, liquid–liquid equilibrium data of a heptane–toluene–dimethylformamide (DMF)–diethylene glycol (DEG) system in the presence and absence of potassium thiocyanate salt were obtained and used to study solvation of ions in the DMF–DEG polar mixture solvent, using COnductor-like Screening MOdel (COSMO) modeling. It was verified that the solvation complexes failed to describe the system equilibrium despite the otherwise expected. COSMO-RS (realistic solvents) calculations of the unsolvated ions presented better approximation with experimental data compared to COSMO-SAC (segment activity coefficient) ones. The best simulation obtained with nonsolvated ions occurred probably due to π electron interactions with ion charge and hydrogen bond with the solvent.
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