甲苯液相催化氧化过程稳态模拟

通过分析甲苯氧化反应的特点，依据反应动力学模型和物料衡算关系，提出了对甲苯液相催化氧化过程进行稳态模拟的方法，研究了稳态连续操作时反应温度、进料甲苯流量等操作条件对苯甲酸浓度的影响。采用的反应动力学模型考虑了苯甲醛、苯甲醇等组分对反应的影响，并用生产数据对反应动力学参数进行了重新回归。使用回归得到的动力学参数进行稳态模拟，结果显示：苯甲酸质量分数的计算值与测量值的相对误差在5%以内。

Steady-state simulation of liquid-phase catalytic oxidation of toluene

Preparation of benzoic acid by liquid-phase catalytic oxidation of toluene is the pivotal step in the production of caprolactam in SNIA technology of Italy. According to the kinetic model and material balance for 4 key components，a novel method for simulating this reactive system was proposed. The influence of operation conditions on benzoic acid concentration was studied. The kinetic model included the effects of benzaldehyde，benzyl alcohol on the reaction. A new group of kinetic parameters were obtained through multiple nonlinear regressions with industrial data. Hooke-Jeeves algorithm was used to solve the problem. The simulation result showed that the error for benzoic acid mass ratio was within 5%. For the actual industrial process，in a reaction temperature range from 164.8 ℃ to 167.2 ℃ and a toluene feed in mass flux range from 79.7 t/h to 104.1 t/h，benzoic acid concentration would increase if the temperature rose or the toluene feed in mass flux decreased.