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Updated: Oct 3, 2026

Fabricating Superhydrophobic Polymeric Materials for Biomedical Applications
Published on: August 28, 2015
Computing thermomechanical properties of dry homopolymers used as raw materials for formulation of biomedical
Pavlo Demianenko1,2, Benoît Minisini3, Gabriel Ortelli1
1ISMANS, Avenue Frédéric Auguste Bartholdi, 72000, Le Mans Cedex, France.
Abstract:
Different static properties have been calculated with COMPASS force field for polyacrylamide, poly(2-hydroxyethylacrylate) (HEA), poly(2-hydroxyethylmethacrylate) (HEMA), poly(glycidylmethacrylate) (GMA), polyethylene glycol (PEG), and poly(2,2,2-trifluoroethylmethacrylate) (TFEM). For each polymers, the calculated values were averaged on five equilibrated configurations of amorphous cell composed of one atactic chain containing 100 repeat units. The ranking obtained from the densities calculated at 300 K is TFEM > HEA ≈ xpolycrylamide > HEMA ≈ GMA > PEG. Concerning the glass transition temperature we have obtained polyacrylamide > HEMA ≈ GMA ≈ HEA > PEG, and polyacrylamide > HEMA ≈ HEA > GMA ≈ PEG > TFEM for the bulk modulus. The calculated results, when available, have been compared with experimental data coming from literature.
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