Numerical simulation of wet granulation using the DEM–PBM coupling method with a deterministically calculated agglomeration kernel

Abstract

Granulation plays an important role in various manufacturing sectors, including the chemical, pharmaceutical, and agricultural sectors. Computer simulation by coupling a discrete element method (DEM) and a population balance model (PBM) is a promising method for the rational design and operation of granulation processes. However, the agglomeration kernels used in existing DEM–PBM coupling methods are semi-empirical and contain unknown parameters, hindering their predictive capability. Herein, we propose a new DEM–PBM coupling method with a deterministically calculated agglomeration kernel (DAK), namely, the DEM–DAK–PBM method. In the DAK, the relative motion of the two particles is extracted from the DEM simulation. When the relative motion is nearly zero, the pair of particles can be regarded as an aggregated particle. According to this distinction, the agglomeration kernel is directly computed from the DEM simulation without fitting any unknown parameters. The DEM–DAK–PBM coupling method was applied to simulate the wet granulation of calcium carbonate powder using a rotating drum. The change in the particle size distribution over time exhibited good agreement between the simulation and experimental results, demonstrating the effectiveness and validity of the DEM–DAK–PBM coupling method.