Abstract: p-Xylene oxidation is a complicated gas-liquid-solid three phases process, involving such physical and chemical phenomena as reaction,absorption, distillation and crystallization,etc.A complete reactor model was built to take into account reaction/distillation/crystallization coupling effects.The related basic model parameters were computed based on reaction kinetics,phase equilibria, transport model and crystallization dynamics. The proposed model was solved by the Newton-Raphson method.The model was verified by comparison with commercial unit data and was proved to be enough to simulate the existing commercial units.On the basis of the model, the effects of temperature,residence time and feed mixture ratio and distillation plate number for the oxidation process was further investigated.The simulation results provided directions and means to improve existing units.

摘要： PX氧化是一个气液固三相复杂反应过程，反应同时伴随着吸收、蒸发、放热、结晶等多种耦合的物理化学效应，反应器采用反应段（下部）与精馏段（上部）一体化结构.在已有工作基础上，全面考虑了反应、传递、结晶、精馏多种过程之间的耦合作用，建立了氧化反应器的综合数学模型.模型给出了反应动力学、相平衡、流动与传递、结晶动力学等各类模型与参数的计算方法，计算结果与工业现场数据吻合.通过模型模拟考察了各工艺条件对反应器操作性能的影响，提出了工业装置改造和优化的方向与措施.