Quantum chemistry of solvent selectivity and economic, exergy and environment analysis of extractive distillation process for separating binary azeotropic mixture

Abstract

BackgroundAfter ammoniation of propacetamol hydrochloride, the liquor contains an azeotropic mixture of acetone and diethylamine. The mixture must be separated to reuse the solvent and the raw material. However, the separation of acetone and diethylamine is difficult because the boiling point difference is only 0.6°C. MethodsIn this study, the mechanism of separating azeotropes was studied by quantum chemical calculations of the σ-profiles, interaction energy and molecular conformation. The vapor-liquid equilibrium data were supplemented by experimental analysis of the vapor-liquid equilibrium for cyclohexanol and diethylamine. The relative volatility of the light and heavy components of the azeotrope was investigated after adding the solvent. Sequential iteration method was used to optimize the extractive distillation process. The parameters in process such as the feeding position, number of stages and the amount of solvent are optimized, and the minimum total annual cost is obtained. Significant findingsThe results showed that the two-column feed preheating extractive distillation process was the lowest. The results showed that the two-column feed preheating extractive distillation process afforded the lowest total annual cost. Thermodynamic and environmental analyses showed that the two-column feed preheating extractive distillation process afforded good energy-saving, with minimal environmental impact. This study is significant for implementing the extractive distillation process for azeotrope separation and the sustainable development of acetone and diethylamine products.