论文标题
通过在盐溶液中多价非球体离子的订购和取向介导的聚电解质之间的相互作用
Interactions between polyelectrolytes mediated by ordering and orientation of multivalent non-spherical ions in salt solutions
论文作者
论文摘要
聚电解质（PE）溶液中的多价离子诱导静电相关性，可以大大改变PES周围的离子分布及其相互作用。使用粗粒细粒的分子动力学模拟，我们展示了如何除了价，离子形状和浓度外，还可以用作控制类似的PE-PE相互作用的工具。我们证明了非球体离子的定向排序与它们如何介导多价性引起的有效PE-PE吸引力之间的相关性。因此，相互作用类型，强度和范围可以在离子溶液中受到外部控制。我们的结果可以用作通用指南，以通过离子特性的变化来调整类似聚电解质的自组装。
Multivalent ions in solutions with polyelectrolytes (PE) induce electrostatic correlations that can drastically change ion distributions around the PEs and their mutual interactions. Using coarse-grained molecular dynamics simulations, we show how in addition to valency, ion shape and concentration can be harnessed as tools to control like-charged PE-PE interactions. We demonstrate a correlation between the orientational ordering of aspherical ions and how they mediate the effective PE-PE attraction induced by multivalency. The interaction type, strength, and range can thus be externally controlled in ionic solutions. Our results can be used as generic guidelines to tune the self-assembly of like-charged polyelectrolytes by variation of the characteristics of the ions.
