A tetrahedral polyelectrolyte brush in the presence of trivalent counterions is researched under the condition of good solution by means of molecular dynamics simulations. Grafting density and charge fraction are varied to generate a series of surface patterns. Lateral microphase separation happens and various interesting pinned patches appear at appropriate charge fraction and grafting density. Through a careful analysis on the brush thickness, the pair correlation functions, the distributions of net charge, and the four states of trivalent counterions in the brush, we find that the ordered surface patterns and special properties are induced by the pure electrostatic correlation effect of trivalent ions even in the good solvent. Furthermore, the dependences of electrostatic correlation on the charge fraction of tethered chains are evaluated for fixed grafting density. Also, our results can serve as a guide for precise control over the stimuli-responsive materials rational and self-assembly of nanoparticles.

通过分子动力学模拟研究了在三价抗衡离子存在下四面体聚电解质刷在良好溶液条件下的性能。改变接枝密度和电荷分数以产生一系列表面图案。发生横向微相分离，各种有趣的钉扎斑块以适当的电荷分数和接枝密度出现。通过仔细分析电刷的厚度，对相关函数，净电荷的分布以及电刷中三价抗衡离子的四个状态，我们发现有序的表面图案和特殊性质是由纯的静电相关效应引起的。三价离子，即使在良好的溶剂中也是如此。此外，对于固定的接枝密度，评估了静电相关性对束缚链电荷分数的依赖性。同样，我们的结果可作为精确控制刺激响应材料合理和纳米粒子自组装的指南。