An evaluation of the effect of vapor-liquid equilibrium experimental data on the design of separation sequences by distillation was done using computer simulation. Separation of a mixture of acetone-chloroform-benzene was chosen as an example problem. Two sequences were compared. To quantify the thermodynamic data uncertainties for each sequence two sets of binary vapor-liquid equilibrium data were chosen. These two sets of data were used to generate simulation cases as in classical two-level factorial design of experiments. A third set of binary vapor-liquid experimental data allows comparing phase liquid models. For the two-column sequence, analysis done to each column alone or to the whole sequence gave the same results. In the three-column sequence, results were different and simulation of the whole sequence gave a complete different account that simulation of each column alone.

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.

The objective of this work was to compare separation sequences for the dehydration of a diluted mixture of ethanol in water by azeotropic heterogeneous extractive distillation using benzene as a solvent. Prior to the comparison, the sequences are optimized by changing their design parameters. The tasks of optimization and comparison are performed using the HYSYS and DISTIL programs. Sequences were made up of two and three columns were compared. Some sequences were obtained from patents, and others were generated by a synthesis process. Results obtained for the comparison can be summarised as a balance between plate number and a factor that accounts for the total vapor flow of the sequence.

Este trabajo tiene el objetivo de comparar un conjunto de secuencias de separación para la deshidratación de una mezcla diluida de etanol en agua por destilación azeotrópica heterogénea usando benceno como solvente. Previo a la comparación, las secuencias se optimizan cambiando sus parámetros de diseño. Las tareas de optimización y comparación se llevaron a cabo con los programas HYSYS y DISTIL. Se compararon secuencias constituidas por dos y tres columnas. Algunas secuencias fueron extraídas de patentes y otras fueron generadas con un proceso de síntesis. Los resultados obtenidos para la comparación se resumen en un balance entre el número de platos y un factor que tiene en cuenta el caudal total de vapor de la secuencia.

This paper examines the effect of the simultaneous chemical and phase equilibrium on the conceptual design of reactive distillation processes. Esterification of acetic acid with methanol, ethanol and butanol are examined. Using commercial software, azeotropic points, residue curve maps and distillation line diagrams having been calculated. The analyzed systems have showed different behavior when phase equilibrium parameters and chemical equilibrium constants are changed. The methyl acetate system does not change the topological features of residue curve maps and distillation line diagrams. The ethyl acetate system and the butyl acetate system change the topological features of the graphs when different chemical equilibrium constants are used.