Molecular Simulation of Effects of Network Structure on Fracture Behavior of Gels Synthesized by Radical Polymerization

• DOI: 10.1021/acs.macromol.4c02875
• Publication Date: 2025-03-19T20:33:31Z
• Authors: Tsutomu Furuya; Tsuyoshi Koga

The synthesis of high-strength gels with many entanglements by radical polymerization high monomer and low cross-linker concentrations has recently been reported several groups. In order to elucidate the toughening mechanism such gels, fracture behavior synthesized is studied a coarse-grained molecular dynamics simulation. simulation results qualitatively reproduce experimental results; formed have small number elastically effective chains due cross-linking, but polymer entanglements, exhibit toughness without sacrificing shear modulus. tough structural changes that suppress orientation in elongation direction stress concentration are confirmed. Analysis relationship between network structure reveals chain length cross-linking points important for gels.