Four-component united-atom model of bitumen.

  title={Four-component united-atom model of bitumen.},
  author={J. S. Hansen and C. Lemarchand and E. Nielsen and J. Dyre and T. Schr{\o}der},
  journal={The Journal of chemical physics},
  volume={138 9},
  • J. S. Hansen, C. Lemarchand, +2 authors T. Schrøder
  • Published 2013
  • Chemistry, Physics, Medicine
  • The Journal of chemical physics
  • We propose a four-component united-atom molecular model of bitumen. The model includes realistic chemical constituents and introduces a coarse graining level that suppresses the highest frequency modes. Molecular dynamics simulations of the model are carried out using graphic-processor-units based software in time spans in order of microseconds, which enables the study of slow relaxation processes characterizing bitumen. This paper also presents results of the model dynamics as expressed… CONTINUE READING
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