A CFD simulation study to evaluate the flow and catalytic hydrogenation of dimethyl oxalate in a packed bed, a two‐stage fluidized bed, and a circulating fluidized bed

Abstract

ABSTRACTHydrogenation of dimethyl oxalate (DMO) can be operated in various reactors, such as the packed bed (PB), two‐stage fluidized bed (TSFB), and circulating fluidized bed (CFB) reactors. Fluid dynamic behaviors in these reactors are different and can lead to different transport and reaction behaviors. Recent advances in the computational fluid dynamics (CFD) technique show its great potential in advancing current understanding of fluid dynamics and its interactions with chemical reaction dynamics. In this study, CFD models for the simulations of flow and hydrogenation of Diethyl Oxalate (DEO) in PB, TSFB, and CFB reactors were developed. The CFD model for the PB reactor was validated using experimental data. The models were then used to predict flow and hydrogenation behaviors in the other two reactors. Various critical issues to be considered in choosing a reactor and how CFD modeling can be utilized to reduce uncertainties associated with this are discussed in details. The approach, models, and results presented here will be useful for understanding the complex flow dynamics and its interaction with the reaction dynamics of DMO hydrogenation in various types of reactors. © 2013 Curtin University of Technology and John Wiley & Sons, Ltd.