Correlation of vapor - liquid equilibrium data for acetic acid - isopropanol - water - isopropyl acetate mixtures

Abstract

-A correlation procedure for the prediction of vapor -liquid equilibrium of acetic acid -isopropanol -water -isopropyl acetate mixtures has been developed. It is based on the NRTL model for predicting liquid activity coefficients, and on the Hayden-O'Connell second virial coefficients for predicting the vapor phase of systems containing association components. When compared with experimental data the correlation shows a good agreement for binary and ternary data. The correlation also shows good prediction for reactive quaternary data.

Solubility and Liquid–Liquid Equilibria for the Isopropyl Acetate + Isopropanol + Acetic Acid + Water Quaternary System at 313.15 K and 101.3 kPa

“…The results show that the experimental data agreed closely with both NRTL and UNIQUAC models. Phase transitions and the reactive azeotrope in this quaternary system isopropyl acetate + isopropanol + acetic acid + water are discussed in the paper by Mandagarań et al 10 In this work the LLE data and solubility for the isopropyl acetate + isopropanol + acetic acid + water quaternary system and for the isopropyl acetate+isopropanol+water and isopropyl acetate + acetic acid + water ternary systems were obtained at 313.15 K and 101.3 kPa. The quaternary mixture could be analyzed through five subsystems, varying the acetic acid:isopropanol mole ratio as 1:3, 3:5, 1:1, 5:3, and 3:1.…”

“…The results show that the experimental data agreed closely with both NRTL and UNIQUAC models. Phase transitions and the reactive azeotrope in this quaternary system isopropyl acetate + isopropanol + acetic acid + water are discussed in the paper by Mandagarán et al…”

Modeling of Simultaneous Chemical and Phase Equilibria in Systems Involving Non-reactive and Reactive Azeotropes

“…Mandagarań et al 80 have also performed the same study with the NRTL model. They fitted binary parameters to VLE, LLE, and azeotropic experimental data and adjusted the equilibrium constant of the reaction to the quaternary reactive azeotrope.…”

Cálculo y Predicción de Azeótropos Multicomponentes con Modelos de Coeficientes de Actividad

“…La condición de azeotropía requiere que la composición del vapor debe ser igual a la del líquido para los azeótropos homogéneos o igual a la composición global del líquido (dos fases líquidas en equilibrio) para los azeótropos heterogéneos. Los cálculos de azeótropos incluyeron en algunos casos cálculos de líneas de residuo / líneas de destilación (Mandagarán y Campanella, 2006).…”