Institute of Macromolecular Compounds, Russian Academy of Sciences, Bolshoj pr., d. 31, St. Petersburg, Russia.
J Phys Chem B. 2010 Mar 4;114(8):2910-9. doi: 10.1021/jp908196t.
The complexes formed by two dendrimers with charged terminal groups and oppositely charged long linear polyelectrolyte (LPE) have been studied using Brownian dynamics simulations. The structural properties of the complexes and their dependence on the LPE chain length were investigated. It was observed that dendrimers in the considered complexes are sufficiently overcharged; i.e., the number of adsorbed LPE monomers is larger than required for the neutralization. The degree of overcharging increases with the increase of the LPE length and is accompanied by the linker appearance until saturation in overcharging is reached. Nonmonotonic dependence of the linker size on the LPE length was observed. To describe the structural properties of the complexes formed by two macroions and a polyelectrolyte chain, the correlation theory has been developed.
使用布朗动力学模拟研究了带有带电端基的两个树状大分子与带有相反电荷的长线性聚电解质（LPE）形成的复合物。研究了复合物的结构特性及其对 LPE 链长的依赖性。结果表明，在所研究的复合物中，树状大分子的超电荷程度足够高；也就是说，吸附的 LPE 单体数量大于中和所需的数量。超电荷程度随 LPE 长度的增加而增加，并伴随着连接体的出现，直到达到超电荷饱和。观察到连接体尺寸对 LPE 长度的非单调依赖性。为了描述两个大分子和一个聚电解质链形成的复合物的结构特性，已经开发了相关理论。
