Feng Jie, Ruckenstein Eli
Department of Chemical and Biological Engineering, State University of New York at Buffalo, Buffalo, New York 14260-4200, USA.
J Chem Phys. 2006 Mar 28;124(12):124913. doi: 10.1063/1.2177248.
The self-recognition between oppositely charged polyelectrolyte-neutral diblock copolymers and aggregate formation is investigated by Monte Carlo simulations. Both matched lengths and charge numbers are critical conditions for self-recognition. The optimum self-recognition occurs between oppositely charged chains with matched charged block lengths and charge numbers. The size of aggregates increases, as the total length and the ratio of charged to neutral beads become larger. Polyelectrolyte networks were observed in some cases containing unmatched chains. The molecular configurations of the entire chains and of the charged and neutral blocks as well as the radial distribution functions of the charged beads are also investigated.
通过蒙特卡罗模拟研究了带相反电荷的聚电解质-中性二嵌段共聚物之间的自识别以及聚集体的形成。匹配的链段长度和电荷数是自识别的关键条件。最佳的自识别发生在带相反电荷的链之间，这些链具有匹配的带电嵌段长度和电荷数。随着聚集体总长度以及带电珠子与中性珠子的比例增大，聚集体的尺寸也会增大。在某些包含不匹配链的情况下观察到了聚电解质网络。还研究了整个链、带电和中性嵌段的分子构型以及带电珠子的径向分布函数。
