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.

石墨烯生产的液相剥离（LPE）工艺通常在搅拌釜反应器中进行，溶剂和石墨颗粒之间的相互作用对于提高生产效率非常重要。在本文中，通过计算流体动力学-离散元法（CFD-DEM）方法揭示了这些相互作用。基于模拟结果，对液相流流体动力学和颗粒运动行为进行了分析，给出了搅拌釜反应器内多相流行为对石墨烯生产的一般信息。通过计算石墨剥落过程开始时的阈值，将滑移速度产生的剪切力确定为主动力。这些结果可以支持石墨烯生产工艺的优化。