Abstract.
This paper proposes a simple model of transient networks of telechelic associating polymers for molecular simulations and reports the main results obtained by molecular dynamics on the rheological properties of the transient networks. The steady shear viscosity obtained by the non-equilibrium molecular dynamics simulation exhibits shear thickening at moderate shear rates and shear thinning at larger shear rates. The behavior is similar to that observed in experiments of telechelic associating polymers. By analyzing the distribution function of the end-to-end vector of bridge chains as a function of the shear rate, we find that shear thickening is mainly caused by the stress from the bridge chains highly stretched by shear flow. We also find that fracture of the transient network occurs in the shear-thinning regime at high shear rates.
Similar content being viewed by others
References
P.S. Russo (Editor), Reversible Polymeric Gels and Related Systems, ACS Symp. Ser., Vol. 350 (American Chemical Society, Washington, DC, 1987).
J. M. Guenet, Thermoreversible Gelation of Polymers and Biopolymers (Academic Press, London, 1992).
T. Annable ., J. Rheol. 37, 695 (1993).
A. Yekta ., Macromolecules 28, 956 (1995).
J.-F. Berret ., J. Rheol. 45, 477 (2001)
S.X. Ma, S.L. Cooper, Macromolecules 34, 3294 (2001).
F. Tanaka, S.F. Edwards, Macromolecules 25, 1516 (1992)
S.Q. Wang, Macromolecules 25, 7003 (1992).
G. Marrucci, S. Bhargava, S.L. Cooper, Macromolecules 26, 6483 (1993).
A. Vaccaro, G. Marrucci, J. Non-Newtonian Fluid Mech. 92, 261 (2000).
P.G. Khalatur, A.R. Khokhlov, D.A. Mologin, J. Chem. Phys. 109, 9602
J. Huh, A.O. Balazs, J. Chem. Phys. 113, 2025 (2000).
K. Kremer, G.S. Grest, J. Chem. Phys. 92, 5057 (1990).
T. Koga, F. Tanaka, this issue, p. 225.
M. Kröger, R. Makhloufi, Phys. Rev. E 53, 2531 (1996)
M. Horigome, Y. Otsubo, Langmuir 18, 1968 (2002).
D.J. Evans, G.P. Morriss, Statistical Mechanics of Nonequilibrium Liquids (Academic Press, London, 1990).
G.H. Fredrickson, L. Leibler, Macromolecules 29, 2674 (1996).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Koga, T., Tanaka, F. Molecular origin of shear thickening in transient polymer networks: A molecular dynamics study. Eur. Phys. J. E 17, 115–118 (2005). https://doi.org/10.1140/epje/i2005-10010-2
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1140/epje/i2005-10010-2