Particulate fouling simulation in unit micropore using a hydrodynamically coupled Lagrangian framework

Predicting and mitigating pore clogging is challenging for the sustainable operation of water treatment systems. During transport and filtration through membrane micropores, buoyant contaminants in water gradually deposit on the surface, reducing the membrane's lifespan and performance, and sometimes completely blocking the pores. To alleviate the negative effects of fouling and to ensure sustainable operation, it is necessary to understand the fundamental mechanisms of fouling and to predict the probability of fouling formation under specific geometrical and material conditions. In this study, multiscale simulations are conducted to understand the fundamental mechanisms of particulate fouling at a microscopic level based on a Lagrangian framework incorporating inter-particle hydrodynamic interactions. We investigate both dead-end and cross-flow filtration, considering the direction of the feed stream relative to the unit micropore. The results elucidate the quantitative background of fouling history, which agrees with experimental findings. Depending on the level of hydrodynamic stress specific to the clog location and the nature of inter-particle interactions, deformation or resuspension of the clog is observed, competing with deposition, which leads to a two-way fouling history. Dominant deposition leads to micropore clogging, and to the best of the authors' knowledge, this is the first study to observe complete blockage and subsequent reopening. With this approach, the microscopic backgrounds between permanent and temporary pore blocking are distinguished. This study is expected to provide useful insights for controlling operational conditions to optimize anti-fouling performance in the transport and filtration through micropores.