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本文用有限元正交配置法求解简化后的微观混合与竞争串联反应过程的数学模型。空间区域划分为3个子域,每个子域内部用正交多项式插值逼近,子域之间用样条连结,问题最终化为以节点函数值为未知量的常微分方程组求解。计算给出了不同时刻片状微元上的浓度分析、收率Xs与无量纲数Da,CAE的关系。最后对半分批反应器(SBR)和连续流动反应器(CSTR)进行了模拟。结果表明,微观混合与快速反应之间的作用可用Damkohler数代表,CSTR比SBR更有利于副反应,模型能够正确地模拟微观混合对快速反应过程的影响。
In this paper, finite element orthogonal configuration method is used to solve the mathematical model of the simplified microscopic mixing and competition series reaction process. The spatial region is divided into three sub-domains. Each sub-domain is approximated by orthogonal polynomial interpolation, and the sub-domains are connected by splines. The final problem is solved by the ordinary differential equations with unknown node-function values. The calculation gives the concentration analysis, the yield Xs and the dimensionless number Da and CAE at different time. Finally, a semi-batch reactor (SBR) and a continuous flow reactor (CSTR) were simulated. The results show that the interaction between microscopic mixing and rapid reaction can be represented by Damkohler number, and CSTR is more favorable than SBR for side reactions. The model can accurately simulate the effect of microscopic mixing on rapid reaction process.