Korea-Australia Rheology Journal

, Volume 28, Issue 4, pp 381–388 | Cite as

Modeling of rheological behavior for polymer nanocomposites via Brownian dynamic simulation

  • Dong Gi Seong
  • Jae Ryoun Youn
  • Young Seok Song
Short Communication


Reptation dynamics of the coarse-grained polymer molecular chain is investigated to predict rheological behavior of polymeric nanocomposites by applying Brownian dynamics simulation to the proposed full chain reptation model. Extensibility of polymer chain and constraint release from chain stretch or retraction are of main concern in describing the nanocomposite systems. Rheological results are well predicted by applying the improved simulation algorithm using stepwise Wiener processes. Strong shear thinning and elongational strain hardening are predicted and compared with the experimental results of polyamide 6/organoclay nanocomposites. The full chain reptation model enables us to predict dynamic motion of the polymer chain segments and understand mechanisms for characteristic rheological behaviors.


nanocomposite reptation model Brownian dynamics simulation rheological properties 


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Copyright information

© Korean Society of Rheology (KSR) and the Australian Society of Rheology (ASR) and Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  • Dong Gi Seong
    • 1
  • Jae Ryoun Youn
    • 2
  • Young Seok Song
    • 3
  1. 1.Composites Research DivisionKorea Institute of Materials ScienceChangwonRepublic of Korea
  2. 2.Department of Materials Science and EngineeringSeoul National UniversitySeoulRepublic of Korea
  3. 3.Department of Fiber System EngineeringDankook UniversityGyeonggi DoRepublic of Korea

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