Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations
American Journal of Physics and Applications
Volume 4, Issue 2, March 2016, Pages: 20-26
Received: Feb. 2, 2016; Accepted: Feb. 18, 2016; Published: Mar. 6, 2016
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Nourdine Hadrioui, LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco
Khalid Elhasnaoui, LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco
Abdelwahad Maarouf, LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco
Tarik ELhafi, LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco
Hamid Ridouane, LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco
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Using molecular dynamics simulations, we study interacting polyelectrolyte brushes that are grafted to two parallel surfaces (quasi-Planar Membrane). The interactions between brushes are important, for instance, in stabilization of dispersions against flocculation. We simulate the relative shear motion of both neutral and polyelectrolyte end-grafted polymer brushes. The flexible neutral polymer brush is treated as a bead-spring model, and the polyelectrolyte brush is treated the same way except that each bead is charged and there are counter ions present to neutralize the charge. We investigate the friction coefficient, monomer density, and brush penetration for the two kinds of brushes with both the same grafting density and the same normal force under good solvent conditions.
Molecular Dynamics Simulation, Aqueous Solution, WCA Potential, Membrane, Adhesion
To cite this article
Nourdine Hadrioui, Khalid Elhasnaoui, Abdelwahad Maarouf, Tarik ELhafi, Hamid Ridouane, Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations, American Journal of Physics and Applications. Vol. 4, No. 2, 2016, pp. 20-26. doi: 10.11648/j.ajpa.20160402.11
Copyright © 2016 Authors retain the copyright of this article.
This article is an open access article distributed under the Creative Commons Attribution License ( which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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