The swelling mechanism of ethylene-vinyl acetate polymer in different solvents via molecular dynamics and experimental studies

molecular dynamics (MD) simulations. The influence of intermolecular interactions on the swelling degree of the EVA polymers had been examined to determine the dominant factors leading to the discrepancies in the diffusion state of EVA in different solvents. The molecular electrostatic potential (MEP) maps were utilized to explain the differences in interactions from a molecular structure perspective. Furthermore, the results of MD simulations were experimentally verified by solvent-immersion experiments and testing methods. Based on the results, the swelling mechanism of the EVA polymer in the selected solvents was proposed and illustrated, providing theoretical support for chemically-driven photovoltaic module recycling processes.