Dissipative particle dynamics simulations of polymer brushes: Comparison with molecular dynamics simulations

被引：33
|
作者：
Pal, Sandeep [1 ]
Seidel, Christian [1 ]
机构：
[1] Max Planck Inst Colloids & Interfaces, Theory Dept, D-14424 Potsdam, Germany
来源：
MACROMOLECULAR THEORY AND SIMULATIONS | 2006年 / 15卷 / 09期
关键词：
dissipative particle dynamics; polymer brush; scaling; simulations; structure;
D O I：
10.1002/mats.200600048
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
The structure of polymer brushes is investigated by dissipative particle dynamics (DPD) simulations that include explicit solvent particles. With an appropriate choice of the DPD interaction parameters a(ij), we obtain good agreement with previous molecular dynamics (MD) results where the good solvent behavior has been modeled by an effective Lennard-Jones potential. The present results confirm that DPD simulation techniques can be applied for large length scale simulations of polymer brushes. A relation between the different length scales r(c) and sigma is established.
引用
收藏
页码：668 / 673
页数：6
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