A Three Dimensional Dynamic CFD Simulation for the Direct DME Production in a Fixed Bed Reactor

Dimethyl ether (DME) as a clean fuel seems to be a superior candidate for high-quality diesel fuel in near future. In this study, a comprehensive three-dimensional dynamic heterogeneous model developed to simulate the flow behavior and catalytic coupling reactions for synthesis of the DME from hydrogenation of the CO and CO2, dehydration of methanol to dimethyl ether and water gas shift reaction in a fixed bed reactor. For this purpose, a CFD simulation was articulated where the standard k-epsilon model with 10% turbulence tolerations implemented. Then the concentration and temperature profiles along the reactor were determined. It was revealed that under conditions considered, a single phase physiochemical system under equilibrium existed for which simulations were performed. Ultimately, generated results of the model under appropriate industrial boundary conditions compared with those of others available in the open literature to verify the developed model. Then, the effects of various operating parameters including the pressure, temperature and flow rate of the feed to the reactor upon the DME production as well as; selectivity were examined. The CFD modeling results generated from the present work revealed reasonable agreement with obtained data of these authors and other experimental available in the open literature which considering the complexity of the task performed was rather satisfying.