用正交配置法模拟固定床反应器  

Using orthogonal collocation method for the simulation of fixet-bed reactor

作　　者：张言文[1] 

机构地区：[1]北京工商大学化学与环境工程学院,北京100037

出　　处：《计算机与应用化学》2005年第4期323-326,共4页Computers and Applied Chemistry

摘　　要：正交配置法是解微分方程(组)边值问题的数值方法,计算速度快、精度高是其主要特点。本文介绍了通过采用二维拟均相模型和正交配置算法模拟邻二甲苯氧化制取邻苯二甲酸酐在固定床反应器内的温度及组成分布,搜索到了该反应在不同条件下沿反应器的热点、组成变化规律及在实验室中难以得到的“飞温”条件,为确定适宜的工艺条件提供了依据。只要能够得到可靠的相关化学反应的动力学、热力学数据,以及传递过程有关参数,此方法具有广泛的参考价值。Orthogonal-collocation method can be used for the numerical solution of boundary-problems in differential equations. Coupled with computer technique,rapid calculation with high precision can be aquired with this method. The article has introduced the way that using two-dimensional pseudo-homogeneous model and orthonal-collocation method to simulation fixed-bed reactor for oxidation of o-xy lene to phthalic anhydride to search temperature and composition profile along the fixed bed reactor and the flying temperature condition which can't obtained from the laboratory easily. This provide an important basis to determine suitable technology conditions. This method has extensive reference sense if data for kinrtics, thermodynamics and transport proress related to the chemical reaction can be acquired.

关 键 词：固定床反应器 飞温 数学模型 数字模拟 正交配置 

分 类 号：O241.8[理学—计算数学]