Understanding polyelectrolyte multilayers: an open challenge for simulations

Juan J. Cerdà; Baofu Qiao; Christian Holm

doi:10.1039/B912800J

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Soft Matter

Issue 22, 2009

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Understanding polyelectrolyte multilayers: an open challenge for simulations

Juan J. Cerdà , Baofu Qiao and Christian Holm

Soft Matter, 2009, 5, 4412-4425

DOI: 10.1039/B912800J
Received 29 Jun 2009, Accepted 01 Sep 2009
First published on the web 29 Sep 2009
This article is part of the collection: Modelling of Soft Matter

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We will review the sparse attempts to model the structure and dynamics of polyelectrolyte multilayers with coarse-grained bead–spring models within a continuum solvent approach. Due to the inherent complexity and size of the system an all-atom modelling approach is not feasible. Even coarse-grain models face serious problems in reproducing the many experimental observations such as stability under many parameter combinations, and linear film growth in aqueous solutions. We will review current models, point out their shortcomings, and discuss possible extensions.

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Soft Matter

Understanding polyelectrolyte multilayers: an open challenge for simulations

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