Mesoscopic Modeling of a Highly-Ordered Sanidic Polymer Mesophase and Comparison With Experimental Data.

ABSTRACT: Board-shaped polymers form sanidic mesophases: assemblies of parallel lamellae of stacked polymer backbones separated by disordered side chains. Sanidics vary significantly with respect to polymer order inside their lamellae, making them "stepping stones" toward the crystalline state. Therefore, they are potentially interesting for studying crystallization and technological applications. Building on earlier mesoscopic models of the most disordered sanidics Σ_d, we focus on the other extreme, near-crystalline order, and develop a generic model that captures a highly ordered Σ_r mesophase. Polymers are described by generic hindered-rotation chains. Anisotropic nonbonded potentials, with strengths comparable to the thermal energy, mimic board-like monomer shapes. Lamellae

SUBMITTER: Wood EL 

PROVIDER: S-EPMC8958507 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature