Abstract
We present the results of molecular dynamics simulations of steady shear between a pair of neutral polymer brushes, as well as a pair of charged polymer brushes in the strongly compressed regime. The results of the molecular dynamic simulations of neutral and polyelectrolyte brushes in implicit solvent including normal forces, shear forces, viscosities and friction coefficients as a function of separation between brushes, are presented in the study. The comparison of the simulation results of neutral and charged brushes shows that the charged brushes is in the quasi-neutral regime, and the dependence of viscosity on the separation distance show the similar power law of neutral brushes. Our simulation results confirm that the implicit solvent simulations of polyelectrolyte brushes that ignore hydrodynamics interaction are in agreement with the scaling predictions qualitatively because of screening of hydrodynamic interaction and long-range electrostatic interactions on the correlation length scale. Both of neutral and charged brushes show the lubrication properties that the friction coefficient decreases with the separation decreases at enough large loads. However, a maximum of friction coefficients is observed for polyelectrolyte brushes, which is in contrast to the neutral brushes with monotonical dependence.
Similar content being viewed by others
Explore related subjects
Discover the latest articles, news and stories from top researchers in related subjects.Data Availability Statement
The data that support the findings of this study are available from the corresponding author upon reasonable request. The author’s contact information: qiliao@iccas.ac.cn.
References
Rubinstein, M.; Colby, R. H. Polymer Physics. Oxford University Press, Oxford, 2003.
Chen, M.; Briscoe, W. H.; Armes, S. P.; Klein, J. Lubrication at physiological pressures by polyzwitterionic brushes. Science 2009, 323, 1698.
Raviv, U.; Giasson, S.; Kampf, N.; Gohy, J. F.; Jerome, R., Klein, J. Lubrication by charged polymers. Nature 2003, 425, 163.
Raviv, U.; Frey J.; Sak, R.; Laurat, P.; Tadmor, R.; Klein, J. Normal and frictional forces between surfaces bearing polyelectrolyte brushes. Langmuir 2002, 18, 7482.
Sokoloff, J. B. Theory of friction between neutral polymer brushes. Macromolecules 2007, 40, 4053.
Zhulina, E. B.; Rubinstein, M. Lubrication by polyelectrolyte brushes. Macromolecules 2014, 47, 5825.
Spirin, L.; Galuschko, A.; Kreer, T.; Johner, A.; Baschnagel, J.; Binder, K. Polymer-brush lubrication in the limit of strong compression. Eur. Phys. J. E 2010, 33, 307.
Ou, Y.; Sokoloff, J. B.; Stevens, M. J. Comparison of the kinetic friction of planar neutral and polyelectrolyte polymer brushes using molecular dynamics simulations. Phys. Rev. E 2012, 85, 011801.
Hehmeyer, O. J.; Stevens, M. J. Molecular dynamics simulations of grafted polyelectrolytes on two apposing walls. J. Chem. Phys. 2005, 122, 134909.
Kumar, N. A.; Seidel, C. Interaction between two polyelectrolyte brushes. Phys. Rev. E 2007, 76, 020801.
Carrillo, J. Y.; Russano, D.; Dobrynin, A. V. Friction between brush layers of charged and neutral bottlerbrush macromolecules. molecular dynamics simulations. Langmuir 2011, 27, 14599.
Galuschko, A.; Spirin, L.; Kreer, T.; Johner, A.; Pastorino, C.; Wittmer, J.; Baschnage, J. Frictional forces between strongly compressed, nonentangled polymer brushes: molecular dynamics simulations and scaling theory. Langmuir 2009, 26, 6418.
Goujon, F.; Ghouf, F.; Malfreyt, P.; Tildesley, D. J. The kinetic friction coefficient of neutral and charged polymer brushes. Soft Matter 2013, 9, 2966.
Liao, Q.; Carrillo, J. Y.; Dobrynin, A. V.; Rubinstein, M. Rouse dynamics of polyelectrolyte solutions: molecular dynamics study. Macromolecules 2007, 40, 7671.
Thompson, A. P.; Aktulga, H. M.; Berger, R.; Bolintineanu, D. S.; Brown, W. M.; Crozier, P. S.; in’t Veld, P. J.; Kohlmeyer, A.; Moore, S. G.; Nguyen, T. D.; Shan, R.; Stevens, M. J.; Tranchida, J.; Trott, C.; Plimpton, S. J. LAMMPS—a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Commun. 2022, 271, 10817.
Acknowledgments
This work was financially supported by the National Science Foundation of China (Nos. 21574139 and 21973103).
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
The authors declare no interest conflict.
Rights and permissions
About this article
Cite this article
Liao, Q. Friction between Strongly Compressed Polymer Brushes. Chin J Polym Sci (2024). https://doi.org/10.1007/s10118-024-3151-3
Received:
Accepted:
Published:
DOI: https://doi.org/10.1007/s10118-024-3151-3