Numerical Self‐Consistent Field Theory of Cylindrical Polyelectrolyte Brushes
Numerical Self‐Consistent Field Theory of Cylindrical Polyelectrolyte Brushes
复制标题
DOI：
10.1002/mats.200800086
复制
发表时间：
2009-04
影响因子：
1.4
通讯作者：
Lianhua Qu;Xigao Jin;Q. Liao
中科院分区：
文献类型：
--
作者：
Lianhua Qu;Xigao Jin;Q. Liao
本文用自洽场理论研究了单圆柱形电刷，并与标度理论的结果进行了比较。结果表明，SCF理论的结果给出了一般的趋势，以及洞察不同制度之间的交叉区域。聚离子和小离子的密度分布表明，该系统是局部电中性的。盐渍画笔具有与中性画笔相似的特征。与直觉相反的是，在渗透状态下，链并不是均匀拉伸的。随着盐浓度的降低，自由端单体向外围区域移动，出现了一个排斥区，并逐渐增大。
A single cylindrical polyelectrolyte brush is studied by self-consistent field (SCF) theory and the results compared with predictions from scaling theory. It is shown that the SCF theory results give the general trends as well as insight into the crossover regions between different regimes. The density profiles of the polyions and small ions indicate that the systems are locally electroneutral. The salted brush bears characteristics similar to those of a neutral brush. Counter-intuitively, the chains are not uniformly stretched in the osmotic regime. The free-end monomers shift to the outer region and an exclusion zone appears and grows with decreasing of salt concentration.