Vapor–Liquid and Chemical Equilibrium for Esterification of Acetic Acid + Isopropanol with [HSO3-bmim][HSO4] at 101.33 kPa

Abstract

Vapor–liquid equilibrium data of binary systems (water + acetic acid, isopropanol + water, and acetic acid + isopropyl acetate), and ternary systems (water + acetic acid + 1-sulfobutyl-3-methylimidazolium hydrogen sulfate (ionic liquid, [HSO₃-bmim][HSO₄]), isopropanol + water + [HSO₃-bmim][HSO₄], and acetic acid + isopropyl acetate + [HSO₃-bmim][HSO₄]) were determined at 101.33 kPa. The nonrandom two-liquid (NRTL) model fitted well with the experimental data. The σ-profiles of water, acetic acid, isopropanol, isopropyl acetate, [HSO₃-bmim]⁺, and [HSO₄]⁻ were calculated using the COSMO-RS model. Furthermore, the binding abilities of [HSO₃-bmim][HSO₄] ionic liquid with water, acetic acid, isopropanol, and isopropyl acetate were analyzed by σ-profiles. The chemical and phase equilibrium data of acetic acid + isopropanol, and acetic acid + isopropanol + [HSO₃-bmim][HSO₄] systems were determined, meanwhile, the chemical equilibrium constant K_r was calculated. These results provided basic thermodynamic data for [HSO₃-bmim][HSO₄] as the catalyst for the esterification system of acetic acid with isopropanol.