Research on the Glass Transition Temperature and Mechanical Properties of Poly(vinyl chloride)/Dioctyl Phthalate (PVC/DOP) Blends by Molecular Dynamics Simulations

@article{Li2019ResearchOT,
  title={Research on the Glass Transition Temperature and Mechanical Properties of Poly(vinyl chloride)/Dioctyl Phthalate (PVC/DOP) Blends by Molecular Dynamics Simulations},
  author={Jing Li and Shaohua Jin and Guanchao Lan and Zi-Shuai Xu and Lu-Ting Wang and Na Wang and Lijie Li},
  journal={Chinese Journal of Polymer Science},
  year={2019},
  volume={37},
  pages={834-840}
}
  • Jing Li, Shaohua Jin, +4 authors Lijie Li
  • Published in
    Chinese Journal of Polymer…
    2019
  • Materials Science
  • To effectively improve the performance and expand the applications of polymers, molecular dynamics (MD) simulations with the COMPASS force field have been applied to predict the miscibility, glass transition temperature (Tg), and mechanical properties of poly(vinyl chloride)/dioctyl phthalate (PVC/DOP) blends. The solubility parameter values obtained are in good agreement with the reference data and the little difference (∣Δδ∣ < 2.0 MPa0.5) between two components indicates that PVC/DOP is a… CONTINUE READING

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