Bochicchio et al. used all-atom and coarse-grained MD simulations to examine how monomers exchange in benzenetricarboxamide (BTA) supramolecular polymers. Their results indicate that exchange primarily occurs at defect sites along the polymer backbone rather than through a single-step process. Metadynamics simulations further revealed a two-step mechanism: monomers diffuse onto the fiber surface before detaching into the solvent.