Understanding polyelectrolyte multilayers: an open challenge for simulations

被引：43

作者：

Cerda, Juan J. ^{[1
]}

Qiao, Baofu ^{[1
]}

Holm, Christian ^{[1
]}

机构：

[1] Univ Stuttgart, Inst Computat Phys, D-70569 Stuttgart, Germany

来源：

SOFT MATTER | 2009年 / 5卷 / 22期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; SHORT-RANGE INTERACTIONS; BY-LAYER DEPOSITION; MONTE-CARLO; WEAK POLYELECTROLYTE; CHARGE COMPENSATION; EXPONENTIAL-GROWTH; INTERNAL STRUCTURE; MULTIGRID METHODS; SOFT MATTER;

D O I：

10.1039/b912800j

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：4412 / 4425

页数：14

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