Behavior of Weak Polyelectrolyte Brushes in Mixed Salt Solutions,Macromolecules

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Behavior of Weak Polyelectrolyte Brushes in Mixed Salt Solutions
Macromolecules ( IF 5.1 ) Pub Date : 2018-01-17 00:00:00 , DOI: 10.1021/acs.macromol.7b02244
Joshua D. Willott ₁ , Timothy J. Murdoch ₂ , Frans A. M. Leermakers ₃ , Wiebe M. de Vos ₁

Affiliation

Hydrophilic and hydrophobic weak polybasic brushes immersed in aqueous solutions of mixed salt counterions are considered using a mean-field numerical self-consistent field approach. On top of the solvent quality of the polymer, the counterion–solvent interactions are accounted for by implementing Flory–Huggins interaction parameters. We show that ion specificity within the brush can bring about large changes in conformation. It is found that the collapse transition of hydrophobic, weak polyelectrolyte brushes features an intermediate two-phase state wherein a subset of chains are collapsed in a dense layer at the substrate, while the remainder of chains are well-solvated and strongly stretched away from the it. Besides pH and ionic strength, solvent quality of counterions and the composition of ions in the solvent are important control parameters for the behavior of polyelectrolyte brushes. Increasingly hydrophobic counterions penetrate deeper within the brush and stabilize the collapsed region, while hydrophilic counterions do the opposite.

中文翻译：

弱聚电解质电刷在混合盐溶液中的行为

使用平均场数值自洽场方法，考虑将亲水性和疏水性弱的多元刷浸入混合盐类抗衡离子的水溶液中。除了聚合物的溶剂质量外，抗衡离子与溶剂的相互作用是通过实现Flory-Huggins相互作用参数来解决的。我们证明了刷子内的离子特异性可以带来构象的巨大变化。发现疏水性弱聚电解质电刷的塌陷过渡具有中间两相状态，其中一部分链被塌陷在基底的致密层中，而其余的链则被很好地溶解并且强烈地远离它。除了pH和离子强度，抗衡离子的溶剂质量和溶剂中离子的组成是聚电解质刷性能的重要控制参数。越来越多的疏水抗衡离子渗透到刷子内部，并使塌陷区稳定，而亲水抗衡离子则相反。

更新日期：2018-01-17

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