浆态床法合成二甲醚的模拟研究(英文)

Numerical modeling and simulation on dimethyl ether synthesis in a bubble column slurry reactor

对于直接以合成气作为原料,使用Cu-Zn-Al 和γ-Al_2O_3构成的双重催化剂、采用浆态床法合成二甲醚的反应体系,使用全混流反应器模型结合化学反应动力学进行模拟。组分方程使用超松弛迭代方法并结合C++编程进行求解,编制了计算机程序。通过模拟计算,讨论了压力、温度、空速、催化剂配比、反应气中不同氢碳比以及CO_2含量对反应收率、DME选择性的影响,并讨论了在不同氢碳比下对CO 转化率和CO 与H_2总转化率的影响,从而寻找合适的反应条件,为工业化生产提供参考。

A complete-mixing-flow-reactor model together with detailed chemical reaction kinetics was used to simulate the synthesis ofdimethyl ether(DME)in a bubble column slurry reactor using syngas directly.The derived non-linear equations were solved using un-der-relaxation iteration method.The programming language C++ was employed to implement the numerical algorithm.The influencesof pressure,temperature and superficial gas velocity in the reactor,catalyst ratio,CO/H_2 ratio and CO_2 content of the feed gas on theconversion,yield and DME selectivity were studied.The influences of different CO/H_2 ratio on CO conversion and total conversionwere also studied.The optimal reaction conditions were found,which can be used as a worthwhile reference for engineering scale-upand design.