Mechanistic insights into mixed-solvent-induced swelling of amine-cured epoxy networks: a combined MD and DFT study

linkages. Solvents with strong dispersive interaction capability and favorable polarity matching, such as THF and DCM, promote effective swelling, with DCM showing the highest swelling efficiency due to its small molecular size and strong van der Waals affinity toward hydroxyl, ether, and amino groups of amine-cured EP. These results offer molecular-level insight into mixed-solvent effects on epoxy swelling and inform the rational design of pretreatment strategies for degrading waste epoxy and carbon fiber-reinforced polymer matrix composites (CFRPs).