Extractive distillation for separation of isopropanol-n-propanol-water ternary system: Mechanism analysis and process design.

In the process of producing isopropanol (IPA) by direct hydration of propylene, a mixture of IPA, n-propanol (NPA) and H 2 O is formed. In order to obtain high purity IPA and NPA, extractive distillation technology can be used to separate these three components. In this paper, Based on the COSMO-RS model, 1-ethyl-3-methylimidazolium dicyandiamide ([EMIM][DCA]) was selected as the extractant for extractive distillation in ionic liquids. The extractive distillation process for the separation of IPA-NPA-H 2 O system with ethylene glycol (EG) or [EMIM][DCA] as extractant was designed and optimized by multi-objective genetic algorithm. Process simulation results show that the process using [EMIM][DCA] can reduce total annual cost by 44.635% and total gas emission by 29.873% compared with the traditional organic solvent EG as extractant. These results show that [EMIM][DCA] is a good extractant, which can reduce the gas emission and energy consumption of the distillation process. In addition, we further explored the separation mechanism of the system at the molecular level by analyzing the σ-curve and the intermolecular interaction energy. • Based on COSMO-RS model, [EMIM][DCA] was selected as extractant. • The reason why EG and [EMIM][DCA] can break the IPA-H 2 O azeotrope was revealed. • Optimized the extractive distillation process with EG or [EMIM][DCA] as entrainers. • [EMIM][DCA] can realize the energy saving and emission reduction. [ABSTRACT FROM AUTHOR]