Conformation of polyelectrolytes in poor solvents: variational approach and quantitative comparison with scaling predictions.
Conformation of polyelectrolytes in poor solvents: variational approach and quantitative comparison with scaling predictions.
复制标题
DOI：
10.1063/1.4875895
复制
发表时间：
2014-05
期刊：
影响因子：
--
通讯作者：
Haozhe Tang;Q. Liao;Pingwen Zhang
中科院分区：
文献类型：
--
作者：
Haozhe Tang;Q. Liao;Pingwen Zhang
我们提出的结果变分计算的低盐溶液在不良溶剂条件下的聚合物骨架。用变分法定量测定了该分子在不良溶剂中的状态图，它是电荷密度和分子量的函数。精确的结构和图表的Dobrynin和Rubinstein开发的项链模型的缩放预测进行了比较[Prog. Polym. Sci. 30，1049-1118（2005）; Dobrynin和Rubinstein，Macromolecules 32，915-922（1999）; Dobrynin和Rubinstein，Macromolecules 34，1964-1972（2001）]。我们发现标度项链模型可以作为精确变分模型的一个相当好的估计和解析逼近。指出聚合物分子间的连接是形成椭球和项链构象的关键。
We present the results of variational calculations of a polyelectrolyte solution with low salt in poor solvent conditions for a polymer backbone. By employing the variation method, we quantitatively determined the diagram of the state of the polyelectrolyte in poor solvents as a function of the charge density and the molecular weight. The exact structure and diagram of the polyelectrolyte were compared to the scaling predictions of the necklace model developed by Dobrynin and Rubinstein [Prog. Polym. Sci. 30, 1049-1118 (2005); Dobrynin and Rubinstein, Macromolecules 32, 915-922 (1999); Dobrynin and Rubinstein, Macromolecules 34, 1964-1972 (2001)]. We find that the scaling necklace model may be used as a rather good estimation and analytical approximation of the exact variational model. It is also pointed out that the molecular connection of polymer is crucial for ellipsoid and necklace conformation.