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Thermoset reactions and characterization

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Curing reactions in a polyester-polyurethane hybrid resin (journal cover).
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Reaction scheme modeled with distance- and Arrhenius-based probabilities.

Work by Felix Schwab (Karlsruhe Institute of Technology) and Colin Denniston (University of Western Ontario) modeling curing reactions (cross-linking) in polyester-polyurethane hybrid resins, with reactions modeled in classical MD from atom distances and Arrhenius-law probabilities.

Related publications

  • Reaction and characterisation of a two-stage thermoset using molecular dynamics, F. K. Schwab and C. Denniston, Polymer Chemistry 10, 4413-4427 (2019).