Influence of Copolyester Composition on Adhesion to Soda-Lime Glass via Molecular Dynamics Simulations

B Hanson and J Hofmann and MA Pasquinelli, ACS APPLIED MATERIALS & INTERFACES, 8, 13583-13589 (2016).

DOI: 10.1021/acsami.6b01851

Copolyesters are a subset of polymers that have the desirable properties of strength and clarity while retaining chemical resistance, and are thus potential candidates for enhancing the impact resistance of soda- lime glass. Adhesion between the polymer and the glass relates to the impact performance of the system, as well as the longevity of the bond between the polymer and the glass under various conditions. Modifying the types of diols and diacids present in the copolyester provides a method for fine-tuning the physical properties of the polymer. In this study, we used molecular dynamics (MD) simulations to examine the influence of the chemical composition of the polymers on adhesion of polymer film laminates to two soda-lime glass surfaces, one tin-rich and one oxygen-rich. By calculating properties such as adhesion energies and contact angles, these results provide insights into how the polymer glass interaction is impacted by the polymer composition, temperature, and other factors such as the presence of free volume or pi stacking. These results can be used to optimize the adhesion of copolyester films to glass surfaces.

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