Particle-scale and sub-grid drag models coupled CFD for simulating the CO methanation in a CFB riser

Abstract

The diffusion and chemical reactions inside the catalyst particles and the heterogeneous flow structure in the computational cells are key factors to affect the accuracy of the coarse-grid simulation in circulating fluidized bed (CFB) methanation reactors. In this work, a particle-scale model is developed to calculate the effective reaction rate considering the transient diffusion and chemical reactions in the particle scale, i.e., the scale of the single catalyst particle. A modified sub-grid drag model is proposed to consider the effects of the meso-scale and chemical reactions on the heterogeneous gas-solid interaction, where the meso-scale is between the single particle and the whole reactor and featured with the particle cluster. Subsequently, a coupled model is developed by integrating the particle-scale and modified sub-grid drag models into CFD. Moreover, the coupled model is validated to achieve accurate predictions on the CO methanation process in a CFB riser. Notably, the coupled model can be performed with a coarse grid (∼58 times particle diameter) and a large time step (0.005 s) to accelerate the simulation. By simply changing the reaction kinetics, different gas-solid catalytic reaction systems can be simulated by using the coupled model.