Polyelectrolyte brushes with added salt

N. Arun Kumar; Christian Seidel

doi:10.1021/ma0515735

Polyelectrolyte brushes with added salt

N. Arun Kumar, Christian Seidel^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

103 Scopus citations

Abstract

Using molecular dynamics simulations, we study completely charged polyelectrolyte brushes with added salt at moderate electrostatic coupling strength. The full Coulomb interaction of monomers, counterions, and salt ions is treated explicitly. In the (nonlinear) osmotic brush regime, the brush thickness h is found to decrease with the salt concentration c_s, obeying a weak power law, h ∼ c_s^-1/3. This result is in agreement with the scaling prediction by Pincus. The transverse ion distribution obtained in the simulations can be understood by means of a modified Donnan approach which takes into account the self-volume of polyelectrolyte chains.

Original language	English (US)
Pages (from-to)	9341-9350
Number of pages	10
Journal	Macromolecules
Volume	38
Issue number	22
DOIs	https://doi.org/10.1021/ma0515735
State	Published - Nov 1 2005
Externally published	Yes

ASJC Scopus subject areas

Materials Chemistry
Polymers and Plastics
Inorganic Chemistry
Organic Chemistry

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abstract = "Using molecular dynamics simulations, we study completely charged polyelectrolyte brushes with added salt at moderate electrostatic coupling strength. The full Coulomb interaction of monomers, counterions, and salt ions is treated explicitly. In the (nonlinear) osmotic brush regime, the brush thickness h is found to decrease with the salt concentration cs, obeying a weak power law, h ∼ cs-1/3. This result is in agreement with the scaling prediction by Pincus. The transverse ion distribution obtained in the simulations can be understood by means of a modified Donnan approach which takes into account the self-volume of polyelectrolyte chains.",

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AB - Using molecular dynamics simulations, we study completely charged polyelectrolyte brushes with added salt at moderate electrostatic coupling strength. The full Coulomb interaction of monomers, counterions, and salt ions is treated explicitly. In the (nonlinear) osmotic brush regime, the brush thickness h is found to decrease with the salt concentration cs, obeying a weak power law, h ∼ cs-1/3. This result is in agreement with the scaling prediction by Pincus. The transverse ion distribution obtained in the simulations can be understood by means of a modified Donnan approach which takes into account the self-volume of polyelectrolyte chains.

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Polyelectrolyte brushes with added salt

Abstract

ASJC Scopus subject areas

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