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Modeling the free-radical polymerization of hexanediol diacrylate (HDDA): a molecular dynamics and graph theory approach

In the printing, coating and ink industries, photocurable systems are becoming increasingly popular and multi-functional acrylates are one of the most commonly used monomers due to their high reactivity (fast curing). In this paper, we use molecular dynamics and graph theory tools to investigate the thermo-m

Authors:   Ariana Torres-Knoop; Ivan Kryven; Verena Schamboeck; Piet D. Iedema
Journal:   Soft Matter
Volume:   14
edition:   17
Pages:   3404
DOI:   10.1039/C8SM00451J
Facts, background information, dossiers
  • molecular dynamics
  • reactivity
  • radical polymerisation
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