Numerical Studies of Absorption of Water in Polymers

  • J. L. Vallés
  • J. W. Halley
  • B. Johnson
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 53)


We present two computer simulation studies on water penetration into polymers. A molecular dynamics model for the interaction between water molecules and a polymer of industrial interest allows us to determine where the water is bound and the shifts that this produces in the infrared spectrum. As a limiting case for diffusion of water in glassy polymers, we describe also Monte Carlo simulations for diffusion with trapping on a percolation lattice.


Molecular Dynamic Simulation Radial Distribution Function Heavy Water Glassy Polymer Percolation Cluster 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1991

Authors and Affiliations

  • J. L. Vallés
    • 1
    • 2
  • J. W. Halley
    • 1
  • B. Johnson
    • 1
  1. 1.School of Physics and AstronomyUniversity of MinnesotaMinneapolisUSA
  2. 2.Departament de Fisica FonamentalUniversitat de BarcelonaBarcelonaSpain

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