Four-component united-atom model of bitumen.

@article{Hansen2013FourcomponentUM,
  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},
  year={2013},
  volume={138 9},
  pages={
          094508
        }
}
  • 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
    View on PubMed
    rucforsk.ruc.dk
    45 Citations
    Highly Influencial Citations
    1
    Background Citations
    1
    Methods Citations
    3

    Figures, Tables, and Topics from this paper

    Figures and Tables

    Explore Further: Topics Discussed in This Paper

    45 Citations
    Citation Type

    Citation Type

    ROSE bitumen: Mesoscopic model of bitumen and bituminous mixtures.
    • 2
    • PDF
    Non-Newtonian behavior and molecular structure of Cooee bitumen under shear flow: A non-equilibrium molecular dynamics study.
    • 12
    • PDF
    Viscosity, relaxation time, and dynamics within a model asphalt of larger molecules.
    • 35
    Cooee bitumen: chemical aging.
    • 21
    • PDF
    Cooee bitumen. II. Stability of linear asphaltene nanoaggregates.
    • 12
    • PDF
    Simple Statistical Model for Branched Aggregates: Application to Cooee Bitumen.
    • 2
    • PDF
    Molecular dynamics modeling and simulation of bituminous binder chemical aging due to variation of oxidation level and saturate-aromatic-resin-asphaltene fraction
    • 11
    Experimental and molecular dynamics simulation study on thermal, transport, and rheological properties of asphalt
    Frequency analysis of stress relaxation dynamics in model asphalts.
    • 5
    Dynamics and Structure of Bitumen-Water Mixtures.
    • 4

    References

    SHOWING 1-10 OF 32 REFERENCES
    Rotational relaxation times of individual compounds within simulations of molecular asphalt models
    • 34
    • PDF
    Analyzing properties of model asphalts using molecular simulation
    • 103
    Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation.
    • 96
    • PDF
    Density Estimation of Asphaltenes Using Molecular Dynamics Simulations
    • 84
    Effects of Polymer Modification on Properties and Microstructure of Model Asphalt Systems
    • 76
    Advances in Asphaltene Science and the Yen–Mullins Model
    • 556
    • PDF
    Molecular Recognition and Molecular Mechanics of Micelles of Some Model Asphaltenes and Resins
    • 183
    Molecular Orientation in Model Asphalts Using Molecular Simulation
    • 77
    Theoretical perspective on the glass transition and amorphous materials
    • 1,032
    • PDF
    Structure and Reactivity of Petroleum-Derived Asphaltene†
    • 145