Computational fluid dynamics-discrete element method simulation of stirred tank reactor for graphene production

Abstract

Liquid phase exfoliation (LPE) process for graphene production is usually carried out in stirred tank reactor and the interactions between the solvent and the graphite particles are important as to improve the production efficiency. In this paper, these interactions were revealed by computational fluid dynamics–discrete element method (CFD-DEM) method. Based on simulation results, both liquid phase flow hydrodynamics and particle motion behavior have been analyzed, which gave the general information of the multiphase flow behavior inside the stirred tank reactor as to graphene production. By calculating the threshold at the beginning of graphite exfoliation process, the shear force from the slip velocity was determined as the active force. These results can support the optimization of the graphene production process.