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Modeling of Sizing Mixtures

William Henken
Department of Civil and Environmental Engineering, UTK

This page shows visualization of the glycidoxypropyltrimethoxy silane (GPTMS) and polyvinyl acetate (PVAc) molecules

Glycidoxypropyltrimethoxy silane (GTMPS) is a common organofunctional silane used as a coupling agent and polyvinyl acetate (PVAc) is a common film former for sizing of glass fiber reinforced polymer composites. A mixture of 125:5 PVAc to GPTMS molecules was modeled using LAMMPS to determine density of the mixture at 100 K and 300 K. The NPT ensemble was used to find the density of this mixture.

Interactive Structures

Color Legend:

  • Hydrogen = light blue
  • Carbon = gray
  • Oxygen = red
  • Silicon = gold

posted: May 2022.
updated: May 2022.