钯复合膜反应器中异丁烷脱氢反应的数学模拟

Mathematical Simulation of Dehydrogenation of Isobutane in a Palladium Composite Membrane Reactor

对化学反应与膜分离的动态过程进行了关联 ,建立并求解了一维数学模型 ,根据异丁烷脱氢反应速率方程和膜反应器数学模型对膜反应器中的异丁烷脱氢反应进行了具体分析 ,模拟了操作条件 (反应温度、原料气空速、吹扫气流量、原料气组成和原料气压力 )对异丁烷转化率增量的影响 ,模拟值与实验值相比较 ,在数值上虽有一定的偏差 ,但与实验结果基本一致。

In view of the chemical reaction engineering incorporating the chemical reation with membrane separation, one dimensional mathematical model for the dehydrogenation of isobutane in a continuous plug flow membrane reactor was developed on the basis of some theoretical assumptions. The model was solved numerically by a four order variable step Runge Kutta method. Using this model, effects of various operating parameters, such as reaction temperature, space velocity, flow rate of the purge gas, molar ratio of nitrogen to isobutane in the feed gas, and pressure of the feed gas on the conversion increment of isobutane in the membrane reactor were simulated. There was some deviation between the simulated values and experimental results, but the trends of mathematical simulation were the same as that of the experiment.