In earlier works the supermolecule model has been applied to the calculation of the Young's modulus of crystalline polyethylene and polyamide-6. In the supermolecule model a crystalline polymer is represented as a single finite chain divided into a head, body, and tail part. The body contains a number of monomer units and is representative for a polymer chain. In this article, this model has been used to study the geometric properties and the elastic moduli of the α form of other polyamides: polyamide-2 (or polyglycine), polyamide-3, polyamide-4, polyamide-11, and polyamide-6,6. All calculations have been performed with a linearly constrained body. The results have been compared to other theoretical and experimental results if available.
- Supermolecule model
- Young's modulus
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry