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Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations

Received: 2 February 2016     Accepted: 18 February 2016     Published: 6 March 2016
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Abstract

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.

Published in American Journal of Physics and Applications (Volume 4, Issue 2)
DOI 10.11648/j.ajpa.20160402.11
Page(s) 20-26
Creative Commons

This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.

Copyright

Copyright © The Author(s), 2016. Published by Science Publishing Group

Keywords

Molecular Dynamics Simulation, Aqueous Solution, WCA Potential, Membrane, Adhesion

References
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Cite This Article
  • APA Style

    Nourdine Hadrioui, Khalid Elhasnaoui, Abdelwahad Maarouf, Tarik ELhafi, Hamid Ridouane. (2016). Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations. American Journal of Physics and Applications, 4(2), 20-26. https://doi.org/10.11648/j.ajpa.20160402.11

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    ACS Style

    Nourdine Hadrioui; Khalid Elhasnaoui; Abdelwahad Maarouf; Tarik ELhafi; Hamid Ridouane. Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations. Am. J. Phys. Appl. 2016, 4(2), 20-26. doi: 10.11648/j.ajpa.20160402.11

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    AMA Style

    Nourdine Hadrioui, Khalid Elhasnaoui, Abdelwahad Maarouf, Tarik ELhafi, Hamid Ridouane. Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations. Am J Phys Appl. 2016;4(2):20-26. doi: 10.11648/j.ajpa.20160402.11

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  • @article{10.11648/j.ajpa.20160402.11,
      author = {Nourdine Hadrioui and Khalid Elhasnaoui and Abdelwahad Maarouf and Tarik ELhafi and Hamid Ridouane},
      title = {Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations},
      journal = {American Journal of Physics and Applications},
      volume = {4},
      number = {2},
      pages = {20-26},
      doi = {10.11648/j.ajpa.20160402.11},
      url = {https://doi.org/10.11648/j.ajpa.20160402.11},
      eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ajpa.20160402.11},
      abstract = {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.},
     year = {2016}
    }
    

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  • TY  - JOUR
    T1  - Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations
    AU  - Nourdine Hadrioui
    AU  - Khalid Elhasnaoui
    AU  - Abdelwahad Maarouf
    AU  - Tarik ELhafi
    AU  - Hamid Ridouane
    Y1  - 2016/03/06
    PY  - 2016
    N1  - https://doi.org/10.11648/j.ajpa.20160402.11
    DO  - 10.11648/j.ajpa.20160402.11
    T2  - American Journal of Physics and Applications
    JF  - American Journal of Physics and Applications
    JO  - American Journal of Physics and Applications
    SP  - 20
    EP  - 26
    PB  - Science Publishing Group
    SN  - 2330-4308
    UR  - https://doi.org/10.11648/j.ajpa.20160402.11
    AB  - 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.
    VL  - 4
    IS  - 2
    ER  - 

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Author Information
  • LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco

  • LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco

  • LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco

  • LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco

  • LPPPC, Sciences Faculty Ben M'sik, Hassan II University, Casablanca, Morocco

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