The Phase Equilibrium In The Oxidation Of Ethylbenzene Oxidation And Its Application

Acetophenone is an important chemical intermediate widely used in soap industry, perfume chemical, and pharmaceutical industries. Traditionally it was manufactured by Friedel-Crafts acylation by using Al Cl3 as catalyst. By this method, large amounts of waste water were produced,which caused serious environmental pollution. In the paper, we focus on the new process of producing acetophenone by air oxidation of ethylbenzene. During the oxidation process,acetophenone is the main product, 1-phenylethanol, benzoic acid, water are major byproducts.Distillation is the desired method to separate the reacted mixture. For this purpose, the basic phase equilibria data of this reaction system is essential for the design, optimization of the separation condition. The paper will focus on determination of the related phase equilibria data and proposed a separate sequence. The main contents including:Pase Equilibrium ResearchFirstly, the liquid-liquid equilibrium for the related systems were studied. The LLE data for the three ternary systems, including water + ethylbenzene + acetophenone, water + ethylbenzene +1-phenylethanol, and water + acetophenone + 1-phenylethanol, were determined at atmospheric pressure. The experimental data were correlated using NRTL and UNIQUAC models and the corresponding binary interaction parameters were obtained. The LLE data for quaternary system(water + ethylbenzene + acetophenone + 1-phenylethanol) were predicted and verified by using the obtained model parameters.Secondly, the solid-liquid phase equilibrium for the related system were studied by using synthetic method. The solubilities of benzoic acid in pure 1-phenylethanol, acetophenone, and ethylbenzene were measured at atmospheric pressure. The experimental data were correlated with the NRTL model and the binary interaction parameters were obtained.The model was used to predict the solubility of benzoic acid in the mixed solvent, and the predicted data were agreed with the experimental data.Thirdly, the available vapor-liquid phase equilibrium data for the related system were retrieved by literature survey. By combing with the experimentally determined liquid-liquid and solid-liquid equilibria data, the vapor-liquid equilbria data were correlated simultaneously by NRTL model.Optimization of the Separation ProcessA separation process for the reacted mixture were proposed and simulated by using AspenPlus.Reflux ration, feed stage and the theoretical plate number of the columns used in the separation process were optimized using sensitivity analysis. The optimal process parameters were found through the simulation and optimization of operating parameters.