Korea-Australia Rheology Journal

The Korean Society of Rheology (한국유변학회)
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Modeling of rheological behavior of nanocomposites by Brownian dynamics simulation

  • Song Young Seok (School of Materials Science and Engineering, Seoul National University) ;
  • Youn Jae Ryoun (School of Materials Science and Engineering, Seoul National University)
  • Published : 2004.12.01
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Abstract

Properties of polymer based nanocomposites depend on dispersion state of embedded fillers. In order to examine the effect of dispersion state on rheological properties, a new bi-mode FENE dumbbell model was proposed. The FENE dumbbell model includes two separate ensemble sets of dumbbells with different fric­tion coefficients, which simulate behavior of well dispersed and aggregated carbon nanotubes (CNTs). A new parameter indicating dispersion state of the CNT was proposed to account for degree of dispersion quantitatively as well as qualitatively. Rheological material functions in elongational, steady shear, and oscillatory shear flows were obtained numerically. The CNT/epoxy nanocomposites with different dis­persion state were prepared depending on whether a solvent is used for the dispersion of CNTs or not. Dis­persion state of the CNT in the epoxy nanocomposites was morphologically characterized by the field emission scanning electronic microscope and the transmission electron microscope images. It was found that the numerical prediction was in a good agreement with experimental results especially for steady state shear flow.

Keywords

References

  1. Allaoui, A., S. Bai, H.M. Cheng and J.B. Bai, 2002, Mechanical and Electrical Properties of a MWNT/Epoxy Composites, Compos. Sci. Tech. 62, 193
  2. Armstrong, R.C. and S. Ishikawa, 1980, A Rheological Equation of State for Dilute Solutions of Nearly-Hookean Dumbbells, J. Rheol. 24, 143 https://doi.org/10.1122/1.549559
  3. Bird, R.B. and J.R. Deaguiar, 1983, An Encapsulated Dumbbell Model for Concentrated Polymer Solutions and Melts. I. The-oretical Development and Constitutive Equation, J. Non-New-tonian Fluid Mech. 13, 149 https://doi.org/10.1016/0377-0257(83)80013-5
  4. Bird, R.B. and J.M. Wiest, 1985, Anisotropic Effects in Dumb-bell Kinetic Theory, J. Rheol. 29, 519 https://doi.org/10.1122/1.549800
  5. Bird, R.B., C.F. Curtiss, R.C. Armstrong and O. Hassager, 1987, Dynamics of Polymeric Liquids: Volume 2, Kinetic Theory, John Willy & Sons, New York
  6. Christiansen, R.L. and R.B. Bird, 1977/1978, Dilute Solution Rheology: Experimental Results and Finitely Extensible Non-linear Elastic Dumbbell Theory, J. Non-Newtonian Fluid Mech. 3, 161
  7. Fan, X.J., 1985, Viscosity, First Normal-Stress Coefficient, and Molecular Stretching in Dilute Polymer Solutions, J. Non-Newtonian Fluid Mech. 17, 125 https://doi.org/10.1016/0377-0257(85)80011-2
  8. Hernandez Cifre, J.G., Th.M.A.O.M. Barenbrug, J.D. Schieber and B.H.A.A. van den Brule, 2003, Brownian Dynamics Simulation of Reversible Polymer Networks under Shear Using a Non-Inter-acting Dumbbell Model, J. Non-Newtonian Fluid Mech. 113, 73 https://doi.org/10.1016/S0377-0257(03)00063-6
  9. Kinloch, I.A., S.A. Roberts and A.H. Windle, 2002, A Rheo-logical Study of Concentrated Aqueous Nanotube Dispersions, Polymer, 43, 7483 https://doi.org/10.1016/S0032-3861(02)00664-X
  10. Larson, R.G., 1988, Constitutive Equations for Polymer Melts and Solutions, Butterworths, AT&T, Boston
  11. $ddot{O}$ttinger, H.C., 1994, Variance Reduced Brownian Dynamics Simulations, Macromolecules 27, 3415 https://doi.org/10.1021/ma00090a041
  12. $ddot{O}$ttinger, H.C., 1996, Stochastic Processes in Polymeric Fluids, Springer, Berlin
  13. $ddot{O}$ttinger, H.C., B.H.A.A. van den Brule and M.A. Hulsen, 1997, Brownian Configuration Fields and Variance Reduced CON-NFFESSIT, J. Non-Newtonian Fluid Mech. 70, 255 https://doi.org/10.1016/S0377-0257(96)01547-9
  14. P$ddot{o}$tschke, P., T.D. Fornes and D.R. Paul, 2002, Pheological Behavior of Multiwalled Carbon Nanotube/Polycarbonate Composites, Polymer 43, 3247 https://doi.org/10.1016/S0032-3861(02)00151-9
  15. Schieber, J.D., 1993, Internal Viscosity Dumbbell Model with a Gaussian Approximation, J. Rheol. 37, 1003 https://doi.org/10.1122/1.550406
  16. Shaffer, M.S.P., X. Fan and A.H. Windle, 1998, Dispersion and Packing of Carbon Nanotubes, Carbon 36, 1603 https://doi.org/10.1016/S0008-6223(98)00130-4
  17. Shenoy, A.V., 1999, Rheology of Filled Polymer Systems, Kluwer Academic Publishers, Dordrecht
  18. Vaccaro, A. and G. Marrucci, 2000, A Model for the Nonlinear Rheology of Associating Polymers, J. Non-Newtonian Fluid Mech. 92, 261 https://doi.org/10.1016/S0377-0257(00)00095-1
  19. Warner Jr., H.R., 1972, Kinetic Theory and Rheology of Dilute Suspensions of Finitely Extensible Dumbbells, Ind. Eng. Chem. Fundam. 11, 379 https://doi.org/10.1021/i160043a017