Molecular simulation on properties of NEPE propellant binders

Wei Shang Yao*, Qian Li, Hui Min Tan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

To prove the validity of molecular simulation technique, Synthia and Blends modules in Accelrys Materials Studio were used to simulate steric hindrance parameter, Young's modulus, zero-shear viscosity and activation energy for viscous flow, surface energy, and Flory-Huggins interaction parameter of the nitrate esters for polyester, polyether and polybutadiene type polyurethane binder. The simulation data are consistent with the reported experimental results and can supply references for designing new propellant binder.

Original languageEnglish
Pages (from-to)650-655
Number of pages6
JournalHanneng Cailiao/Chinese Journal of Energetic Materials
Volume15
Issue number6
Publication statusPublished - Dec 2007

Keywords

  • Binder
  • Materials science
  • Molecular simulation
  • Solid propellant

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