Thermodynamic Prediction of Molecular Morphology Parameters of Amorphous Regions in Drawn Polymers

Abstract

A theory is proposed to predict molecular morphology of amorphous regions in drawn semicrystalline polymers. It is based on the assumption that molecular morphology corresponds to a minimum free conformational energy, provided the size of crystallites and amorphous regions, as well as the degree of macromolecule extension are fixed. The minimization of free conformational energy of amorphous regions was carried out with due regard for the real densities ratio. As a result, portions and the tie chain length distributions, regular folds, random and adjacent reentrant loops as functions of the degree of macromolecule extension and size of amorphous regions were obtained. The Monte-Carlo simulation was used to control the local density distribution within the amorphous regions.

Key Words:

• Semicrystalline polymer
• molecular morphology
• tie chains
• loops
• reentry
• drawing
• computer simulation.