碳二加氢等温反应过程模拟与操作参数优化

以碳二加氢等温管式固定床反应器为研究对象,利用计算流体力学(CFD)方法建立了与外界有热量交换的二维均相流反应器模型,通过添加气固能量方程,建立了多孔介质区内部热交换与气固耦合传热的两温度模型。采用遗传算法对反应的动力学参数进行了拟合,并以加氢选择性最优为目标函数,对碳二加氢反应的入口氢炔比与反应器的冷却温度进行优化,得到最优氢炔比为1.18,最优的冷却温度为334.66 K。最后根据模拟与优化结果,分析了氢炔比和冷却温度对加氢反应选择性的影响,对提高加氢反应器的操作性能具有重要的意义。

Simulation and optimization of operating parameters of isothermal reaction process for acetylene hydrogenation

With the study object of an acetylene hydrogenation reactor with isothermal tubular fixed bed, this paper used computational fluid dynamics (CFD) method to establish the two-dimensional homogeneous flow reactor model that had heat exchange with the outside. By adding the solid-gas energy equations, the heat exchange model of porous medium zone and two-temperature model of gas-solid coupled heat transfer are established. The genetic algorithm was used to fit reacting kinetic parameters. And the ratio of hydrogen acetylene ration (H₂/C₂H₂) and the cooling temperature were optimized to meet the maximum of reaction selectivity. Simulation results show that the optimal hydrogen acetylene ratio is 1.18 and the optimal cooling temperature is 334.66 K. Finally, based on the simulation and optimization results, the effects of the hydrogen acetylene ratio and the cooling temperature on the selectivity of acetylene hydrogenation reaction were analysed, and therefore they provide an important significance for improving the operating performance of acetylene hydrogenation reactor.