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

Vapor-liquid equilibrium (VLE) 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 ([HSO 3 -bmim][HSO 4 ]), isopropanol + water + [HSO 3 -bmim][HSO 4 ], and acetic acid + isopropyl acetate +[HSO 3 -bmim][HSO 4 ]) were determined at 101.33 kPa. The non-random two liquid (NRTL) model was fitted well with the experimental data. The σ-profiles of water, acetic acid, isopropanol, isopropyl acetate, [HSO 3 -bmim] + , and [HSO 4 ] - were calculated using COSMO-RS model. Furthermore, the binding ability of [HSO 3 -bmim][HSO 4 ] ionic liquid with water, acetic acid, isopropyl alcohol, and isopropyl acetate was analyzed by σ-profiles. The chemical and phase equilibrium (CPE) data of acetic acid + isopropanol, acetic acid + isopropanol + [HSO 3 -bmim][HSO 4 ] systems were determined, and the chemical equilibrium constant Kr was calculated. These results provided basic thermodynamic data for [HSO 3 -bmim][HSO 4 ] as the catalyst for the esterification system of acetic acid with isopropanol.