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A three dimensional CFD simulation and optimization of direct DME synthesis in a fixed bed reactor

查看全文 作  者:Fazel [1]Moradi;Mohammad [1]Kazemeini;Moslem [1,2]Fattahi 高影响力作者 机构地区:[1]Department of Chemical and Petroleum Engineering, Sharif University of Technology;[2]Department of Chemical Engineering, Abadan Faculty of Petroleum Engineering, Petroleum University of Technology高影响力机构 出  处:《Petroleum Science》索引2014年第11卷第2期,共8页高影响力期刊 摘  要:In this study, a comprehensive three-dimensional dynamic model was developed for simulating the flow behavior and catalytic coupling reactions for direct synthesis of dimethyl ether(DME) from syngas including CO2 in a fixed bed reactor at commercial scale under both adiabatic and isothermal conditions. For this purpose, a computational fluid dynamic(CFD) simulation was carried out through which the standard k-ε model with 10% turbulence tolerations was implemented. At first, an adiabatic fixed bed reactor was simulated and the obtained results were compared with those of an equivalent commercial slurry reactor. Then the concentration and temperature profiles along the reactor were predicted. Consequently, the optimum temperature, pressure, hydrogen to carbon monoxide ratio in the feedstock and the reactor height under different operation conditions were determined. Finally, the results obtained from this three-dimensional dynamic model under appropriate industrial boundary conditions were compared with those of others available in literature to verify the model. Next, through changing the boundary conditions, the simulation was performed for an isothermal fixed bed reactor. Furthermore, it was revealed that, under isothermal conditions, the performed equilibrium simulations were done for a single phase system. Considering the simultaneous effects of temperature and pressure, the optimum operation conditions for the isothermal and adiabatic fixed bed reactors were investigated. The results of the H2+CO conversions indicated that, under isothermal condition, higher conversion could be achieved, in compared with that under adiabatic conditions. Then, the effects of various operating parameters, including the pressure and temperature, of the reactor on the DME production were examined. Ultimately, the CFD modeling results generated in the present work showed reasonable agreement with previously obtained data available in the literature.EnvironmenEtanl vpiorollnumtioennt aaln dp oiltlsu tpiroenv eanntdio ints aprere mveanjtoiro np raorbel emmasj 关 键 词:等温固定床反应器 三维动态模型 CFD模拟 直接合成 二甲醚 计算流体动力学 温度分布 绝热条件
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