TY - JOUR
T1 - Interpenetrating polymer network-based composites reinforced by polysilsesquioxanes
T2 - Molecular dynamic simulations and experimental analysis
AU - Zhang, Weiwei
AU - Zhang, Xin
AU - Qin, Zhaolu
AU - He, Jiyu
AU - Lan, Yanhua
AU - Zhang, Wenchao
AU - Yang, Rongjie
N1 - Publisher Copyright:
© 2021
PY - 2021/3/15
Y1 - 2021/3/15
N2 - The paper presents a new material (named PMPP) with interpenetrating polymer network (IPN) formed by rigid polysilsesquioxane and flexible poly(hexamethylene diisocyanate)/poly(ethylene glycol) (PHMDI/PEG). Based on the network, polysilsesquioxanes with different structures, such as ladder-like polysilsesquioxane (PPSQ), cage-like polysilsesquioxane (T7POSS) and reactive ladder-like polysilsesquioxane (VPOSS), were selected to further modify PMPP. All samples were subjected to mechanical analysis, thermal analysis and combustion analysis and simulated by molecular dynamics (MD) and MesoDyn simulation. The introduction of polysilsesquioxanes obviously improved the flexural strength, tensile strength, heat resistance and fire resistance due to the strong interaction between polysilsesquioxanes and PMPP network structures. The results of solubility parameters (δ), radial distribution functions (RDF), Flory-Huggins parameters (χ) and mesoscopic morphologies showed that T7POSS and VPOSS had stronger interaction, better compatibility and dispersion in PMPP, thereby providing theoretical foundation for performance improvements.
AB - The paper presents a new material (named PMPP) with interpenetrating polymer network (IPN) formed by rigid polysilsesquioxane and flexible poly(hexamethylene diisocyanate)/poly(ethylene glycol) (PHMDI/PEG). Based on the network, polysilsesquioxanes with different structures, such as ladder-like polysilsesquioxane (PPSQ), cage-like polysilsesquioxane (T7POSS) and reactive ladder-like polysilsesquioxane (VPOSS), were selected to further modify PMPP. All samples were subjected to mechanical analysis, thermal analysis and combustion analysis and simulated by molecular dynamics (MD) and MesoDyn simulation. The introduction of polysilsesquioxanes obviously improved the flexural strength, tensile strength, heat resistance and fire resistance due to the strong interaction between polysilsesquioxanes and PMPP network structures. The results of solubility parameters (δ), radial distribution functions (RDF), Flory-Huggins parameters (χ) and mesoscopic morphologies showed that T7POSS and VPOSS had stronger interaction, better compatibility and dispersion in PMPP, thereby providing theoretical foundation for performance improvements.
KW - Heat endurance
KW - Mechanical property
KW - Molecular simulation
KW - Network structure
KW - Polysilsesquioxane
UR - http://www.scopus.com/inward/record.url?scp=85099231349&partnerID=8YFLogxK
U2 - 10.1016/j.compositesb.2021.108604
DO - 10.1016/j.compositesb.2021.108604
M3 - Article
AN - SCOPUS:85099231349
SN - 1359-8368
VL - 209
JO - Composites Part B: Engineering
JF - Composites Part B: Engineering
M1 - 108604
ER -