ABSTRACT The insufficient understanding of the diffusion‐reaction‐polymerization coupling in membrane formation dynamics hinders the application of interfacial polymerization membranes in drug delivery and membrane separation. Here, the relationship between the hydrophilicity of the oil phase and water mass transfer behavior is taken as the breakthrough point. From the perspective of diffusion, the water mass transfer flux is positively correlated with the membrane thickness. From the perspective of polymerization, under the diffusion‐limited aggregation model, the polymerization of oligomers leads to uneven membrane thickening. This accounts for the paradoxical observation that thicker membranes exhibit lower encapsulation and rejection rates. Building on a comprehensive understanding of membrane formation dynamics, an AI model that can predict performance with high precision was developed. Furthermore, universal regulation strategies can increase the encapsulation efficiency and rejection rate by 32.3–54.8% and 6.8–23.9%, respectively. This study provides both theoretical basis and technical approaches for designing high‐performance microcapsule and separation membrane.
Zhang et al. (Wed,) studied this question.