Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations

Nourdine Hadrioui; Khalid Elhasnaoui; Abdelwahad Maarouf; Tarik ELhafi; Hamid Ridouane

doi:doi:10.11648/j.ajpa.20160402.11

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Interacting Polyelectrolyte Brushes Grafted in Two Bilayers: Molecular Dynamics Simulations

Nourdine Hadrioui, Khalid Elhasnaoui, Abdelwahad Maarouf, Tarik ELhafi, Hamid Ridouane

Published in American Journal of Physics and Applications (Volume 4, Issue 2)

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

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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

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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Plain Text BibTeX RIS

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

Copy | Download

@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}
}

Copy | Download

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  -

Copy | Download