固定床反应器中邻二甲苯氧化的一维非均相模拟(英文)  

Simulation of o-xylene oxidation in fixed-bed reactor using 1-D heterogeneous model

作　　者：洪若瑜[1,2,3] 杨伟[1] 庄银枪[1] 李洪钟[2] 

机构地区：[1]苏州大学化学化工学院,江苏苏州独墅湖高教区215123 [2]中国科学院过程工程研究所多相反应重点实验室 [3]中国科学院煤炭化学研究所,煤转化国家重点实验室

出　　处：《计算机与应用化学》2006年第6期481-485,共5页Computers and Applied Chemistry

摘　　要：采用一维非均相模型,同时考虑催化剂颗粒的内外扩散,模拟了邻二甲苯氧化固定床反应器,使用变步长Runge-Kutta积分法求解气相方程,使用中心差分并结合迭代方法求解颗粒相方程,使用C++编程并进行求解,首先进行了网格无关性计算．将一维拟均相模型和一维非均相模型的结果进行了比较,并将结果与文献中的二维模型进行比较．另外比较了利用Leva方程,Ergun方程和Kozeny方程求解压降的差别,讨论了管径的变化对反应产率和转化率的影响,从而寻找最适合的参数和方程进行最终计算．The oxidation of o-xylene to phthalic anhydride in a fixed-bed catalytic reactor was simulated using a one-dimensional （1-D） heterogeneous-phase model. The mass diffusion inside and outside catalyst pellets was taken into consideration. The gas-phase governing equations were solved using the fourth-order Runge-Kutta integration with adjustable steps. The solid-phase governing equations were solved using the shooting-method. The numerical results computed using the 1-D heterogeneous-phase model was compared with those using a 1-D pseudo-homogeneous-phase model and 2-D pseudo-homogeneous and heterogeneous-phase models Three correlation equations for predicting pressure drop reported in reference were compared and the best one was found.

关 键 词：模拟 一维模型 非均相模型 邻二甲苯 氧化 

分 类 号：TQ205[化学工程—有机化工]