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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．
A one-dimensional heterogeneous model was adopted, taking into account the internal and external diffusion of catalyst particles. The o-xylene oxidation fixed bed reactor was modeled. The gas phase equation was solved by the variable step Runge-Kutta integration method. The central difference and the iterative method were used to solve the particle phase Equation, using C + + programming and solving, the first calculation of grid independence. The results of one-dimensional quasi-homogeneous model and one-dimensional heterogeneous model are compared, and the results are compared with the two-dimensional model in the literature. In addition, the differences of pressure drop were solved by using Leva equation, Ergun equation and Kozeny equation. The influence of tube diameter on the reaction yield and conversion rate was discussed. Finally, the most suitable parameters and equations were found for the final calculation.