Simulation of a plant scale reactive distillation column for esterification of acetic acid

• New set of industrial data reveals limitations of a generic simulation approach.
• Non-equilibrium-stage and NRTL based VLLE was used to ensure theoretical intricacy.
• Generalized NRTL parameters from wider database do not give satisfactory result.
• NRTL parameters based on literature data close to column pressure were obtained.
• Complexity due to pseudo-steady state behavior of column needs further study.

Most of the reactive distillation (RD) simulation studies rely upon very scarce laboratory scale experimental data available in literature. In the present work, an industrial scale RD finishing column for ethyl acetate production is simulated using rate based model of Aspen Plus™. Available activity coefficient data could not predict composition profiles of the industrial column. Therefore, a new set of NRTL model parameters is established for this system using the vapor–liquid equilibrium data available in literature. This new set of data was used in the non-equilibrium, rate based model of Aspen Plus™. Baring the variation in concentration profile due to fluctuations caused by pseudo-steady-state behavior of industrial unit, the predicted concentration profile closely matches the plant data. The simulation results for stage efficiencies, component generation rates, and the effect of the organic reflux rate on ethanol conversion and ethyl acetate purity are also presented and discussed.