Simulation and Optimization in the Process of Toluene Liquid-phase Catalytic Oxidation

Abstract

Abstract: Liquid-phase oxidation of toluene with air has become the main technology for producing benzoic acid in a reactor at present. Based on the kinetic model of the toluene oxidation process obtained from laboratory and mass balance of key component, a novel model is established to simulate the industrial toluene oxidation process, in which the effects of benzaldehyde and benzyl alcohol are considered and the kinetic parameters are revised by industrial data. The simulation results show that the error of benzoic acid yield is within 3.5%. Based on the simulation model, to maximize the benzoic acid yield, an optimization model is proposed to optimize the operating parameters, including toluene feed-in mass flux and temperature. The optimization result indicates that on the allow-able operating conditions, the maximum benzoic acid yield obtained with the reaction temperature at 167.2℃ and the mass flux at 104.1 t·h^-1 is greater than the current one, which can be used to guide industrial reactor’s operation.

Key words: toluene, benzoic acid, catalytic oxidation, simulation, optimization

摘要： Liquid-phase oxidation of toluene with air has become the main technology for producing benzoic acid in a reactor at present. Based on the kinetic model of the toluene oxidation process obtained from laboratory and mass balance of key component, a novel model is established to simulate the industrial toluene oxidation process, in which the effects of benzaldehyde and benzyl alcohol are considered and the kinetic parameters are revised by industrial data. The simulation results show that the error of benzoic acid yield is within 3.5%. Based on the simulation model, to maximize the benzoic acid yield, an optimization model is proposed to optimize the operating parameters, including toluene feed-in mass flux and temperature. The optimization result indicates that on the allow-able operating conditions, the maximum benzoic acid yield obtained with the reaction temperature at 167.2℃ and the mass flux at 104.1 t·h^-1 is greater than the current one, which can be used to guide industrial reactor’s operation.

关键词: toluene, benzoic acid, catalytic oxidation, simulation, optimization

ZHANG Yukun, LI Chufu, HE Xiaorong, CHEN Bingzhen. Simulation and Optimization in the Process of Toluene Liquid-phase Catalytic Oxidation[J]. Chin.J.Chem.Eng., 2008, 16(1): 36-38.

张玉坤, 李初福, 何小荣, 陈丙珍. Simulation and Optimization in the Process of Toluene Liquid-phase Catalytic Oxidation[J]. Chinese Journal of Chemical Engineering, 2008, 16(1): 36-38.

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