邻硝基甲苯生产三硝基甲苯反应过程模拟

Process Simulation in Producing Trinitrotoluene with O-nitrotoluene

运用硝化反应的动力学理论,建立了用邻硝基甲苯生产三硝基甲苯时末段硝化反应动力学数学模型．采用蒙特卡洛法和拟牛顿法进行计算机模拟,结果表明通过适当改变工艺条件,可以用邻硝基甲苯代替甲苯生产三硝基甲苯,并能够提高产品的得率,从而为实际生产提供理论指导．

Based on the dynamic theory of nitration and oxidation of dinitrotluene, the steady-state mathematical model is developed for the last-stage nitration process in which trinitrotoluene is produced from o-nitrotoluene. The dynamic parameters are esimated according to the production data. The computer simulation is carried out by using Monte Carlo and Qusi-Newton method. Simulation results show that trinitrotoluene can be produced with o-nitrotoluene and a higher yield can be got in this process. The simulation can provide guidance for improving industrial production.