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- W2439808680 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." @default.
- W2439808680 created "2016-06-24" @default.
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- W2439808680 date "2016-06-16" @default.
- W2439808680 modified "2023-09-30" @default.
- W2439808680 title "Computing thermomechanical properties of dry homopolymers used as raw materials for formulation of biomedical hydrogels" @default.
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- W2439808680 doi "https://doi.org/10.1007/s00894-016-3026-9" @default.
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