POS10-0238
Theoretical study of Thermoplastic/Thermoset Blends incorporating Covalent Adaptable Networks
Topic
S10. AI-assisted Design and Simulation of Polymers
When and Where
Sep 30, 2026
08:30 - 09:30
Room 301 (Grand Ballroom)
Session Chairs
Heesuk KIM
Jinhye BAE
Presenter(s)
gyudong noh (dong-eui university)
Co-Author(s)
Abstract
The covalent adaptable network (CAN) based on disulfide bonds has attracted significant attention because it can be reprocessed without a catalyst through a bond exchange reaction. Epoxy-based CAN provides high rigidity, heat resistance, and structural stability, but during repeated reprocessing, mechanical properties deteriorate due to limitations in network rearrangement. For this reason, an epoxy/polyurethane (PU) blending interpenetrating polymer network (IPN) system that can utilize the stiffness of the epoxy and the toughness of the PU was introduced into the epoxy-based CAN to enable maintenance of reprocessing properties. However, there is a trade-off in which mechanical and thermal properties change greatly depending on the PU content, soft segment (SS):hard segment (HS) composition ratio, and reprocessing conditions.
In this study, the effect of the SS:HS composition ratio of PU on network structure and reprocessing performance in epoxy/PU IPN blending systems was analyzed through molecular dynamics (MD) simulation. A crosslinked network was formed by introducing 4-aminophenyl disulfide (4-ADPS) as a curing agent into the diglycidyl ether of bisphenol A (DGEBA)/PU blending system. The recovery behavior, structural changes, mechanical and thermal properties of networks under reprocessing temperature conditions were compared. Through this study, the molecular-level factors associated with the characteristics of polymer blends and potential design considerations for improving the performance of epoxy-based CAN materials are discussed.
In this study, the effect of the SS:HS composition ratio of PU on network structure and reprocessing performance in epoxy/PU IPN blending systems was analyzed through molecular dynamics (MD) simulation. A crosslinked network was formed by introducing 4-aminophenyl disulfide (4-ADPS) as a curing agent into the diglycidyl ether of bisphenol A (DGEBA)/PU blending system. The recovery behavior, structural changes, mechanical and thermal properties of networks under reprocessing temperature conditions were compared. Through this study, the molecular-level factors associated with the characteristics of polymer blends and potential design considerations for improving the performance of epoxy-based CAN materials are discussed.
