A tetrahedral polyelectrolyte brush in the presence of trivalent counterions is researched under the condition of good solution by mea ns of molecular dynamics simulati ons.Grafting density and charge fraction are var...A tetrahedral polyelectrolyte brush in the presence of trivalent counterions is researched under the condition of good solution by mea ns of molecular dynamics simulati ons.Grafting density and charge fraction are varied to gen erate a series of surface patter ns.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 den sity.Also,our results can serve as a guide for precise control over the stimuli-responsive materials rational and self-assembly of nanoparticles.展开更多
基金supported by the National Natural Science Foundation of China(Nos.21474005 and 21674005)the Fun dame ntal Research Funds for the Central Universities(No.3122018L007)and Quality Course Construction.
文摘A tetrahedral polyelectrolyte brush in the presence of trivalent counterions is researched under the condition of good solution by mea ns of molecular dynamics simulati ons.Grafting density and charge fraction are varied to gen erate a series of surface patter ns.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 den sity.Also,our results can serve as a guide for precise control over the stimuli-responsive materials rational and self-assembly of nanoparticles.
