Effect of Film Thickness on the Self-Assembly of CBABC Symmetric Pentablock Terpolymer Melts under 1D Confinement: A Dissipative Particle Dynamic Study

Materials (Basel). 2023 Oct 25;16(21):6862. doi: 10.3390/ma16216862.

Abstract

The study investigates the impact of film thickness on the phase behavior of pentablock terpolymers, denoted as C3B3A6B3C3, when subjected to wall confinement by utilizing the dissipative particle dynamics method. Phase diagrams were constructed to elucidate how factors such as block-block interaction strength, film thickness, and wall properties affect the self-assembly structures. In cases where the wall exhibits no preference for any of the blocks, lamellae phases with orientations perpendicular to the wall are observed. The order-disorder transition (ODT) temperature is found to be influenced by the interaction between the polymer and the wall in thin confinement scenarios. When the wall displays a preference for specific blocks, the orientation of lamellae structures undergoes variations. Lamellae tend to align parallel to the wall when the wall favors A or C blocks, and they orient perpendicularly when B blocks are favored. Furthermore, the mechanical properties of the lamellae structures are related to the conformations of the polymer chains. Structures where chains predominantly adopt a loop conformation exhibit enhanced elastic properties. The ratio of looping to bridging conformations can be adjusted by altering the film thickness and wall selectivity.

Keywords: DPD simulation; phase behavior; symmetric pentablock terpolymres.

Grants and funding

The work is supported by the Natural Science Foundation of Shandong Province (No. ZR2021QE292).