摘要
采用宏观动力学,对以合成气为原料的浆态床液相法合成二甲醚反应进行模拟研究.通过物料恒算建立一组常微分方程组.计算过程采用四阶精度的Runge-Kutta法并结合C++编程求解.通过模拟计算,讨论了压力、温度、空速、催化剂浓度、CO_2浓度对反应转化率、收率以及DME的选择性的影响,从而寻找合适的反应器参数,为实际的工业生产提供参考.
A one-dimensional homogeneous-phase model with detailed chemical reaction kinetics was used to simulate the synthesis of dimethyl ether (DME) from syngas directly in a slurry-bed reactor. The darived non-linear ordinary-differential equations were solved using the fourth-order Runge-Kutta numerical integration. The programming language C++ was employed to implement the numerical algorithm. The influences of inlet pressure, reaction temperature, superficial gas velocity in the reactor, catalyst ratio and CO2 content of the feed gas on the CO conversion, DME yield and DME selectivity were studied. The optimal reaction conditions were found, which can be used for engineering scale-up and design.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2008年第12期1482-1484,共3页
Computers and Applied Chemistry
基金
Supported by the National Natural Science Foundation of China(NNSFC,20876100,20736004 and 20476065)
the Key Laboratory of Multiphase Reaction of the Chinese Academy of Sciences(2006-5)
the State Key Laboratory of Coal Conversion of CAS(2006-902)
the Key Laboratory of Organic synthesis of Jiangsu Province,the Scientific Research Foundation for ROCS of State Education Ministry(SRF for ROCS,SEM)
the Foundation of Chemical Experiment Center of Soochow University~~
关键词
浆态床
合成气
二甲醚
模拟
slurry bed reactor, dimethyl ether, syngas, simulation, one-dimensional model